Titles in Nanotechnology
Book Series


Encyclopedia of Nanoscience
and Nanotechnology

Vols. 1-10


Handbook of Theoretical and
Computational Nanotechnology

Vols. 1-10


Handbook of Semiconductor
Nanostructures and Nanodevices

Vols. 1-5




Handbook of Nanostructured
Biomaterials and Their Applications
in Nanobiotechnology,
Vols. 1-2




Polymeric Nanostructures
and Their Applications

Vols. 1-2




Handbook of Organic-Inorganic
Hybrid Materials and
Nanocomposites,
Vols. 1-2




Functional Nanomaterials


Molecular Nanoelectronics



Magnetic Nanostructures



Quantum Dots and Nanowires



Synthesis, Functionalization
and Surface Treatment
of Nanoparticles




Nanoclusters and Nanocrystals



Nanotoxicology



Cancer Nanotechnology



Nanoparticles for
Pharmaceutical Applications




 
Journal of Computational and Theoretical Nanoscience

 Volume 5, Number 12 ( December 2008) pp.2289 - 2466


REVIEWS
Ballistic Quantum Simulators for Studying Variability in Nanotransistors
A. Martinez, J. R. Barker, A. Svizhenko, M. P. Anantram, M. Bescond, and A. Asenov
J. Comput. Theor. Nanosci. 5, 2289–2310 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Several Issues in Modeling Molecular Motors
Hongyun Wang
J. Comput. Theor. Nanosci. 5, 2311–2345 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Thermodynamic Considerations on Solid Structural Transition Temperatures of Nanocrystals
Q. Jiang and S. Li
J. Comput. Theor. Nanosci. 5, 2346–2364 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Computational Intelligence in Medicine and Biology: A Survey
A. V. Vasilakos and G. Spyrou
J. Comput. Theor. Nanosci. 5, 2365–2376 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Computing Paradigms for Logic Nanocells
S. Lyshevski, V. P. Shmerko, S. N. Yanushkevich, and V. Geurkov
J. Comput. Theor. Nanosci. 5, 2377–2395 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Impurity States of Donors in a Diluted Magnetic Quantum Dot
A. John Peter
J. Comput. Theor. Nanosci. 5, 2396–2421 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Table of Contents to Volume 5, Number 1–12, 2008
J. Comput. Theor. Nanosci. 5, 2423–2436 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Author Index to Volume 5, Number 1–12, 2008
J. Comput. Theor. Nanosci. 5, 2437–2455 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Subject Index to Volume 5, Number 1–12, 2008
J. Comput. Theor. Nanosci. 5, 2456–2466 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 5, Number 11 ( November 2008) pp.2071 - 2287


REVIEW
First-Principles Study of Ferroelectric Oxide Epitaxial Thin Films and Superlattices: Role of the
Mechanical and Electrical Boundary Conditions

Javier Junquera and Philippe Ghosez
J. Comput. Theor. Nanosci. 5, 2071–2088 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Vacancy Induced Structural Changes in Diamond Nanoparticles
A. S. Barnard and M. Sternberg
J. Comput. Theor. Nanosci. 5, 2089–2095 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Surface-Plasmon Enhanced Near-Bandgap Light Absorption in Silicon Photovoltaics
Lu Hu, Xiaoyuan Chen, and Gang Chen
J. Comput. Theor. Nanosci. 5, 2096–2101 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Phase Dynamics in Charge Qubits
C. Dinneen and J. B. Wang
J. Comput. Theor. Nanosci. 5, 2102–2105 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Deterministic Computer Simulations of Noble Gas Disks Orbiting C60 Fullerenes
E. Maldonado and M. W. Roth
J. Comput. Theor. Nanosci. 5, 2106–2113 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Interaction of Porphine with Closed-End Zigzag (6,0) Single-Walled Carbon Nanotube: The Effect of
Parameters in DMol3 DFT Calculations

Vladimir A. Basiuk
J. Comput. Theor. Nanosci. 5, 2114–2118 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Random Sequential Adsorption Model of Damage and Crack Accumulation: Exact One-Dimensional Results
Oleksandr Gromenko, Vladimir Privman, and M. L. Glasser
J. Comput. Theor. Nanosci. 5, 2119–2123 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

A Framework for Modeling DNA Based Molecular Systems
Sudheer Sahu, Bei Wang, and John H. Reif
J. Comput. Theor. Nanosci. 5, 2124–2134 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Anomalous Quantum Diffusion in Order–Disorder Separated Double Quantum Ring: Persistent Current,
Drude Weight and Related Issues

Santanu K. Maiti
J. Comput. Theor. Nanosci. 5, 2135–2139 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

An Efficient Cell Array Structure of a Polymer Random Access Memory and the Correct Cell Sensing for
Sense Amplifier

Jung-Ha Kim and Sang-Sun Lee
J. Comput. Theor. Nanosci. 5, 2140–2143 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Molecular Orbital Theory of Nanoshells
E. F. Kustov
J. Comput. Theor. Nanosci. 5, 2144–2152 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Double-Walled Carbon Nanotubes as Nanosyringes
Tamsyn A. Hilder and James M. Hill
J. Comput. Theor. Nanosci. 5, 2153–2159 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Quantum Transport and Photon-Assisted Andreev Reflection in Superconductor–Semiconductor Interface
Arafa H. Aly and Sang-Wan Ryu
J. Comput. Theor. Nanosci. 5, 2160–2163 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Nanoscale Nonlinear Dynamic Characterization of the Neuron-Electrode Junction
V. Thakore, A. Behal, P. Molnar, D. C. Leistritz, and J. J. Hickman
J. Comput. Theor. Nanosci. 5, 2164–2169 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

The Alternating Electrostatic Force Needed to Optimize Growth of a Carbon Nanotube
Majid Vaezzadeh, Q. Wang, Mahya Shahbazi, Seyed Farokh Atashzar, Mohammad Reza Saeidi, and
Davood Akbarzadeh

J. Comput. Theor. Nanosci. 5, 2170–2175 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Theoretical Study of Ascorbic Acid Interacting with C61(COOH)2 Complexes
I. Zanella, V. Lemos, J. Mendes Filho, and S. Guerini
J. Comput. Theor. Nanosci. 5, 2176–2179 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Gate Leakage Power Analysis for a Nanoscale N-MOSFET
Ashwani Kumar and S. Dasgupta
J. Comput. Theor. Nanosci. 5, 2180–2185 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Modeling of Light Scattering Properties of a Nanoshell on a Plane Interface: Influence of a
Core Material and Polarization

Elena Eremina, Yuri Eremin, and Thoma Wriedt
J. Comput. Theor. Nanosci. 5, 2186–2193 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Optical Absorption Spectra of Coinage Metals (Cu, Ag, Au) Nanorods: A Theoretical Study
Animesh K. Ojha and Ranjan K. Singh
J. Comput. Theor. Nanosci. 5, 2194–2200 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Acoustic and Optical Soliton Excitations in the Peyrard-Bishop Model of DNA Dynamics with Alternating A-T and
G-C Base Pairs

Conrad B. Tabi, Alidou Mohamadou, and Timoléon C. Kofané
J. Comput. Theor. Nanosci. 5, 2201–2209 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

1-(para-substituted phenyl diazenyl) Pyrrolidinofullerenes. A Theoretical Study
Bartosz Trzaskowski, Abraham F. Jalbout, Ali Jameel Hameed, Aned de Leon, and Ali Hashem Essa
J. Comput. Theor. Nanosci. 5, 2210–2215 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Quantitative Structure-Activity Relationship and Density Functional Theory Studies on Some Derivatives of
3´-Azido-3´-Deoxythymidine

Najim A. Al-Masoudi and Ali H. Essa
J. Comput. Theor. Nanosci. 5, 2216–2220 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Influence of S and P Doping in a Graphene Sheet
Alejandra Garcia Garcia, Samuel E. Baltazar, Aldo Humberto Romero Castro, Juan Francisco Perez Robles, and Angel Rubio
J. Comput. Theor. Nanosci. 5, 2221–2229 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Time Dependence of Carbon Nanotube and Nanostring Circle as Molecular Motor
António Maia de Jesus Chaves Neto
J. Comput. Theor. Nanosci. 5, 2230–2232 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Magnetic Property of OH-Functionalized Single-Wall Carbon Nanotubes
Hui Pan, Yuan Ping Feng, and Jianyi Lin
J. Comput. Theor. Nanosci. 5, 2233–2237 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Profile Design Optimization of SiGe Heterojunction Bipolar Transistors for High Speed Applications
Ankit Kashyap and R. K. Chauhan
J. Comput. Theor. Nanosci. 5, 2238–2242 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Design of a Molecular x-Bridge Field Effect Transistor (MBFET)
Aldilene Saraiva-Souza, Rodrigo M. Gester, Marcos A. Leite Reis, Fabricio M. Souza, and Jordan Del Nero
J. Comput. Theor. Nanosci. 5, 2243–2246 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Structural and Electronic Properties of C60X6 (X = F, Cl, Br and I). A Theoretical Study
Medhat Ibrahim, Ali Jameel Hameed, Hanan El-Haes, and Abraham F. Jalbout
J. Comput. Theor. Nanosci. 5, 2247–2251 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Rn Atom Inside a Carbon Nanotube Like a Clock
António Maia de Jesus Chaves Neto
J. Comput. Theor. Nanosci. 5, 2252–2254 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Energetics and Structural Properties of Nitrogen Molecules Confined in a Carbon Capsule
R. E. Barajas-Barraza, J. A. Ramírez-Ruíz, and R. A. Guirado-López
J. Comput. Theor. Nanosci. 5, 2255–2263 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Electron Charge Transfer in Linear and Cyclic Structures of Polypeptides
N. Santhanamoorthi, P. Kolandaivel, V. Renugopalakrishnan, and Seeram Ramakrishna
J. Comput. Theor. Nanosci. 5, 2264-2268 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Dinitrogen Activation in [Cp2TiL]2( -N2) L = PMe3, p-tolyl
May Abdelghani and Ouddai Nadia
J. Comput. Theor. Nanosci. 5, 2269–2274 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Hyper Wiener Index of TUC4C8(R) Nanotubes
Abbas Heydari and Bijan Taeri
J. Comput. Theor. Nanosci. 5, 2275–2279 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Padmakar-Ivan Index of q-Multi-Walled Carbon Nanotubes and Nanotori
H. Yousefi-Azari and A. R. Ashrafi
J. Comput. Theor. Nanosci. 5, 2280–2283 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

COMMUNICATION
Universal Scaling Properties of Dendrimers with Flexible Branches
M. Ratner
J. Comput. Theor. Nanosci. 5, 2284–2286 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

ESSAY
Molecular Science as an Aspiring Field for Modern Researchers in Nanotechnology
Abraham F. Jalbout
J. Comput. Theor. Nanosci. 5, 2287 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 5, Number 10 ( October 2008) pp.1939 - 2070


A SPECIAL ISSUE
Computational Tools and Its Application to Analyze Emerging Nanomaterials
Guest Editor:W. A. Moussa
J. Comput. Theor. Nanosci. 5, 1939–1941 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

REVIEW
Modeling Theories of Intelligent Hydrogel Polymers
J. R. Saunders, S. Abu-Salih, T. Khaleque, S. Hanula, and W. Moussa
J. Comput. Theor. Nanosci. 5, 1942–1960 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Parametric Chemo-Electro-Mechanical Modeling of Smart Hydrogels
J. R. Saunders, S. Abu-Salih, and W. Moussa
J. Comput. Theor. Nanosci. 5, 1961–1975 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

First Principles Based Investigation of Materials for Resistive RAM
Hirofumi Kishi, Tomoya Kishi, Wilson Agerico Diño, Emi Minamitani, Hiro Akinaga, Hiroshi Nakanishi, and
Hideaki Kasai

J. Comput. Theor. Nanosci. 5, 1976–1979 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Using Model of Strain Gradient Membrane Shell to Characterize Longitudinal Wave Dispersion in
Multi-Walled Carbon Nanotubes

Lifeng Wang, K. M. Liew, Xiaoqiao He, Yangao Hu, Q. Wang, Wanlin Guo, and Haiyan Hu
J. Comput. Theor. Nanosci. 5, 1980–1988 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Model for Modulation of Conductance in a Carbon Nanotube Field Effect Transistor by Electrochemical Gating
Tian Tang and Anand Jagota
J. Comput. Theor. Nanosci. 5, 1989–1996 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Effect of Atomic Vacancy on Stability of Carbon Nanotubes
Q. Wang, V. K. Varadan, Q. K. Han, and B. C. Wen
J. Comput. Theor. Nanosci. 5, 1997–2003 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Targeting Transport Properties in Nanofluidics: Hydrodynamic Interaction Among Slip Surface Nanoparticles
in Solution

Kengo Ichiki, Alexander E. Kobryn, and Andriy Kovalenko
J. Comput. Theor. Nanosci. 5, 2004–2021 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Bio-Ferroelectricity at the Nanoscale
Jack A. Tuszynski, Travis John Adrian Craddock, and Eric J. Carpenter
J. Comput. Theor. Nanosci. 5, 2022–2032 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Numerical Simulation of Nano-Particle Suspension in an Effervescent Atomizer
Sanaz Arabzadeh and Ali Dolatabadi
J. Comput. Theor. Nanosci. 5, 2033–2040 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

A “Shooting Bead’’ Method for Finding the Flexural Rigidity of Semiflexible Rodlike Biological Filaments
Abdorreza Samarbakhsh and Jack A. Tuszynski
J. Comput. Theor. Nanosci. 5, 2041–2044 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Electromechanical Buckling and Postbuckling of Micro Cylindrical Shells
Samy Abu-Salih and Walied A. Moussa
J. Comput. Theor. Nanosci. 5, 2045–2053 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Analysis of Patterning Nanometer Thin Organic Monolayers by a Laser: Curvilinear Paths and Junctions
Mohammad Reza Shadnam and A. Amirfazli
J. Comput. Theor. Nanosci. 5, 2054–2059 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Characteristic Times for Pressure and Electrostatic Force Driven Thin Film Drainage
David G. Crawford, Charles R. Koch, and Subir Bhattacharjee
J. Comput. Theor. Nanosci. 5, 2060–2066 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

COMMUNICATION
Magnetic Alignment of Aerosol Particles for Targeted Pulmonary Drug Delivery: Comparison of Magnetic and
Aerodynamic Torques

A. R. Martin and W. H. Finlay
J. Comput. Theor. Nanosci. 5, 2067–2070 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 5, Number 9 ( September 2008) pp.1793 - 1938


SELECTED REVIEWS
Modeling Coulomb Effects in Nanoscale Devices
D. Vasileska, H. R. Khan, and S. S. Ahmed
J. Comput. Theor. Nanosci. 5, 1793–1827 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Atomistic Computer Simulations of Irradiation-Induced Effects in Nanostructured Carbon Materials
A. V. Krasheninnikov
J. Comput. Theor. Nanosci. 5, 1828–1851 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Concepts in Bionanomachines: Translocators
Artur Baumgaertner
J. Comput. Theor. Nanosci. 5, 1852–1890 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Atomistic Statics Approaches—Molecular Mechanics, Finite Element Method and Continuum Analysis
Bin Liu, Zuoqi Zhang, and Yuli Chen
J. Comput. Theor. Nanosci. 5, 1891–1913 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Computer Simulations Studies of Solid–Liquid Phase Transitions in Solid Water Nano Particles
Andrei V. Egorov, Elena N. Brodskaya, and Aatto Laaksonen
J. Comput. Theor. Nanosci. 5, 1914–1922 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Multiscale Methods for Micro/Nano Flows and Materials
Marco Kalweit and Dimitris Drikakis
J. Comput. Theor. Nanosci. 5, 1923–1938 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

 Volume 5, Number 8 ( August 2008) pp.1463 - 1791


A SPECIAL ISSUE
A Special Issue on 5th International Conference on Physical and Numerical Simulations of Material Processing
Guest Editor: Jitai Niu
J. Comput. Theor. Nanosci. 5, 1463 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Fabrication and Growth Mechanism of Carbon Nanotubes by Chemical Vapor Deposition
Haipeng Li, Naiqin Zhao, Chunnian He, Chunsheng Shi, Xiwen Du, Jianli Kang, and Qingran Cui
J. Comput. Theor. Nanosci. 5, 1464-1469 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

The Self-Assembling of Polybutylcyanoacrylate Nanoparticle and the Analysis of It's Mechanism
Sheng Jian-Guo, Li Xin, Zhu Yong-Fa, and Peng Xiao-Gen
J. Comput. Theor. Nanosci. 5, 1470-1473 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Improving Surface Quality of Friction Pair by Using Chemical Grinding Agent with Nanopowders
Wu Mingyuan, Yang Wei, and Yang Ting
J. Comput. Theor. Nanosci. 5, 1474-1477 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Fabrication and Characterization of Multi-Walled Carbon Nanotubes Encapsulated Magnetic Nanoparticles
Weixue Li, Yongfu Cui, Jianfeng Dai, Qing Wang, Yuan Hao, Tijun Chen, Zhongli Wu, and Yang Li
J. Comput. Theor. Nanosci. 5, 1478-1480 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Simulation of Mechanical Properties of Single-Walled and Double-Walled Carbon Nanotubes by
Molecular Dynamics

HaiYang Song and XinWei Zha
J. Comput. Theor. Nanosci. 5, 1481-1484 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Researching Nanometric Cutting of Copper Based on Molecular Dynamics
J. X. Chen, Y. C. Liang, Q. S. Bai, Y. L. Tang, and M. J. Chen
J. Comput. Theor. Nanosci. 5, 1485-1489 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Finite-Length Effects on the Band of Deformed Metallic Carbon Nanotubes
Linfeng Yang, Tingtai Wang, Shengman Liu, and Jingchang Zhang
J. Comput. Theor. Nanosci. 5, 1490-1492 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Nanomechanics Properties of Feldspathic Dental Ceramics
Guanglei Zhang, Bingwen Yao, Hui Gao, Yanfang Li, and Shuxia Ren
J. Comput. Theor. Nanosci. 5, 1493-1496 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Nanomaterial Modifications on Conductivity of Coal Conveyer Belt
Jingchang Zhang, Yuguang Zhang, Tingtai Wang, Linfeng Yang, Shengman Liu, Dehong Yang, Ming Zhang, and
Xia Gao

J. Comput. Theor. Nanosci. 5, 1497-1499 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Mechanical Performance of Modified Rubber and PVC Filled with Nanomaterials
Yuguang Zhang, Tingtai Wang, Linfeng Yang, Shengman Liu, Dehong Yang, Ming Zhang, Xia Gao, and
Jingchang Zhang

J. Comput. Theor. Nanosci. 5, 1500-1503 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Investigation of the Low Temperature Sintering Technology of NiCuZn Ferrite with Different Additive
Niu Qingshan, Hou Hua, Zhao Yuhong, and Xu Bingshe
J. Comput. Theor. Nanosci. 5, 1504-1506 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Microstructure and Wear Resistance of Plasma Cladding Composite Coating of Fe-Based Alloy
Containing Al2O3 + TiO2

Lu Jin-bin, Niu Ji-tai, Wang Zhi-xin, and Shang Quan-yi
J. Comput. Theor. Nanosci. 5, 1507-1511 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Tracking Method for Multi-Material Interfaces and Its Application in Shaped Charge
Cheng Wang, Tianbao Ma, and Jianguo Ning
J. Comput. Theor. Nanosci. 5, 1512-1516 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Numerical Simulation of the Concentration Field of Powder Stream in Coaxial Laser Cladding
Xi-chen Yang, Xiao-shu Jin, and Nan Yang
J. Comput. Theor. Nanosci. 5, 1517-1521 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Digital Image Measurement of Velocity Field of Powder Fluid in Laser Manufacturing
Nan Yang and Xi-chen Yang
J. Comput. Theor. Nanosci. 5, 1522-1525 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Collapse-Shrinkage Characteristics in Cells of Plantation-Grown Eucalypt Under Heat-Treatment Patterns
Wu Yi-qiang, Hayashi Kazuo, Liu Yuan, Cai Yingchun, Sugimori Masatoshi, and Peng Wanxi
J. Comput. Theor. Nanosci. 5, 1526-1529 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Fabrication of Polycrystalline La1-xMnO3+d (x = 0, 0.15) Thin Films on Si Substrates by
Chemical Solution Deposition (CSD)

Shengman Liu, Bin Gao, Yan Li, Xuebin Zhu, Tingtai Wang, Jinhe Tao, Linfeng Yang, Ming Zhang, Yuguang Zhang,
Yuping Sun, and Jingchang Zhang

J. Comput. Theor. Nanosci. 5, 1530-1533 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Redesign of Cryogenic Pump in Liquefied Natural Gas Storage Tank Considering Thermal Effect
Dong Sik Gu, Sung Won Cho, Jeong Hwan Lee, Hack Eun Kim, and Byeong Keun Choi
J. Comput. Theor. Nanosci. 5, 1534-1538 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Estimation of the Maximum Undeformed Chip Thickness in Grinding Based on Volume Balance of the
Material Removed

Young-Moon Lee, Won-Sik Choi, Jae-Hwan Son, Dae-Won Bae, Sung-Pil Son, Sun-Il Kim, Geon-Woo Park, and
Hee-Chul Jung

J. Comput. Theor. Nanosci. 5, 1539-1541 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Interfacial Stresses Analyses of Anisotropic Conductive Adhesive Bonding Under Thermal and Humidity Loads
Jun Zhang, Xu Chen, Xinli Wei, and Yong-Cheng Lin
J. Comput. Theor. Nanosci. 5, 1542-1545 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Micromechanical Model of Stress Distribution and Transfer in Short-Fiber-Reinforced Elastomer Matrix Composite
Zhu Dasheng, Gu Boqin, and Chen Ye
J. Comput. Theor. Nanosci. 5, 1546-1550 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Numerical Simulation of Collision Process of Reactive Flame Sprayed Particles with Substrate
H. W. Liu, L. Zhang, W. B. Hu, and J. J. Wang
J. Comput. Theor. Nanosci. 5, 1551-1555 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Molecular Dynamics Investigations on the Atomic-Scale Frictional Behavior of Diamond Films
Bin Shen and Fanghong Sun
J. Comput. Theor. Nanosci. 5, 1556-1559 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Phase Transformation and Grain Growth in the Heat Affected Zone During Welding of Ultra Fine Grain Ti-6Al-4V
Wu Wei, Gao Hongming, and Wu Lin
J. Comput. Theor. Nanosci. 5, 1560-1564 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Microstructure Evolution of Mo-Based Composites During Selective Laser Sintering and Thermal Processing
Bin Liu, Peikang Bai, and Jun Cheng
J. Comput. Theor. Nanosci. 5, 1565-1569 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Numerical Simulation and Experimental Studies of Surface Topography of Laser Textured Roller
Hongbin Liu, Daping Wan, and Dejin Hu
J. Comput. Theor. Nanosci. 5, 1570-1573 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Thermal-Mechanically Coupled Finite Element Model of Ultrasonic Welding Process of Polyetheretherketone
Yan Jiuchun, Wang Xiaolin, Li Ruiqi, and Yang Shiqin
J. Comput. Theor. Nanosci. 5, 1574-1577 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

3D Finite Element Simulation for the Temperature Field of Direct Metal Laser Sintering Process
Xia Ji, Jian Zhong Zhou, Hua Feng Guo, and Su Qing Jiang
J. Comput. Theor. Nanosci. 5, 1578-1582 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Simulation of the Load Bearing Capacity of Hybrid Surface Modification Layer on TC4 Substrate Fabricated by
Plasma Immersion Ion Implantation and Deposition)

Langping Wang, Zhiwen Xie, Lei Huang, Yuhang Wang, and Xiaofeng Wang
J. Comput. Theor. Nanosci. 5, 1583-1586 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Diffusion Bonding with a Powder Interlayer Between Bi-Sr-Ca-Cu-O Superconducting Tapes
Wang Yan-jun, Zou Gui-sheng, Bai Hai-lin, Wu Ai-ping, Guo Wei, Ren Jia-lie, Song Xiu-hua, Yi Han-ping, and
Zhang Hong-jie

J. Comput. Theor. Nanosci. 5, 1587-1591 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Plume Formation During Laser Heating of a Solid Surface
Kwang Ryul Kim, Jae-Hoon Kim, Namhyun Kang, Sung Hak Cho, and Kwang Ho Kim
J. Comput. Theor. Nanosci. 5, 1592-1596 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Numerical Simulation of Filling Flow and Determination of the Process Parameter in Metal Injection Molding
Zhenxing Zheng, Wei Xia, Zhaoyao Zhou, and Shiyong Wang
J. Comput. Theor. Nanosci. 5, 1597-1602 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Mold Filling Process Modeling with Multi-Relaxation-Time Lattice Boltzmann Method
Jianglin Huang, Liliang Chen, and Jianxin Zhou
J. Comput. Theor. Nanosci. 5, 1603-1607 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Forming Ability and Crystallization of Al-Fe-Si-Zr Amorphous Alloy
Weimin Zhao, Xiaoli Liu, Chunyong Liang, Haipeng Li, Yazhen Li, and Xiaoping Lin
J. Comput. Theor. Nanosci. 5, 1608-1611 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Numerical Simulation of Variation of Viscosity in Powder Injection Molding Filling Process
Zhoushun Zheng and Xuanhui Qu
J. Comput. Theor. Nanosci. 5, 1612-1617 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Monte-Carlo Simulation of Isotropic and Anisotropic Grain Growth in Liquid Phase Sintered Ceramics
Yuhong Zhao, Yue Zhang, Hua Hou, and Dahai Zhang
J. Comput. Theor. Nanosci. 5, 1618-1621 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Numerical Simulation of Mold Filling and Temperature Field on Shell-Mold Chilled Casting Process
Ping Li, Qizhou Cai, Bokang Wei, Liliang Chen, and Ruixiang Liu
J. Comput. Theor. Nanosci. 5, 1622-1626 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Effects of Yield Strength and Plastic Strain Exponent on Nanoindentation Process
Genliang Hou, Qiujuan Lv, and Kewei Xu
J. Comput. Theor. Nanosci. 5, 1627-1630 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Application and Finite Element Simulation of Plastic Blanking Deformation
B. P. Shang and H. Du
J. Comput. Theor. Nanosci. 5, 1631-1635 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Finite Element Analysis of Continuous Equal Channel Angular Pressing Process
Xinbing Yun and Baoyun Song
J. Comput. Theor. Nanosci. 5, 1636-1640 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

The Electromagnetic-Structural Couple Analysis in the Electromagnetic Bulging of Tube with Die
Hongwei Jiang, Chunfeng Li, Zhong Li, and Jianghua Deng
J. Comput. Theor. Nanosci. 5, 1641-1645 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Constant Pressure Molecular Dynamics Simulation for Ionic System
Zhiwei Cui, Yi Sun, and Jianmin Qu
J. Comput. Theor. Nanosci. 5, 1646-1650 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Rheological, Dynamic Mechanical and Thermal Properties of Thermotropic Liquid Crystalline Polymer/Unsaturated
Polyester/Glass Fiber Hybrid Composites

C. Wei, X. B. Yu, J. Lv, and Y. Y. Gong
J. Comput. Theor. Nanosci. 5, 1651-1655 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Study on Characteristic of Material Removal Rate in Chemical Mechanical Polishing of Silicon Wafer
Jianxiu Su, Xiqu Chen, Xueliang Zhang, Jiaxi Du, and Dongming Guo
J. Comput. Theor. Nanosci. 5, 1656-1660 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Variation in Permeability of Nb-Poor Finemet Under Heating Annealing
Haishun Liu, Xiaopeng Shen, Hai Pu, Chunhao Yin, and Xiexing Miao
J. Comput. Theor. Nanosci. 5, 1661-1664 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

The Theoretical Calculation of the Contents of Si and Ni in Multi-Composition Alloy Steel
Yumei Dai, Xun Wang, Yujie Dai, and Yongqing Ma
J. Comput. Theor. Nanosci. 5, 1665-1667 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

a2-Ti3Al Intermetallic Compound Prepared by Powder Metallurgy and Its Mechanical Properties
Liqing Chen, Jijie Wang, and Lin Chen
J. Comput. Theor. Nanosci. 5, 1668-1671 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Measuring Elasticity Constants and Cohesion Stress for Alumina Electroplating Coatings
M. F. Gong, S. R. Qiao, H. Ji, and G. F. Lu
J. Comput. Theor. Nanosci. 5, 1672-1676 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Modeling of Residual Stresses in Functionally Gradient Al2O3 Coating on 316L Substrate
Hongbing Liu, Jie Tao, Pingze Zhang, and Jiang Xu
J. Comput. Theor. Nanosci. 5, 1677-1680 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Preparation and Mechanical Properties of New Types Unsaturated Poly(ester-imide) Resin Composites
Jian Lv, Jinbiao Zhong, Jinhong Yu, Shaorong Lu, and Chun Wei
J. Comput. Theor. Nanosci. 5, 1681-1684 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

On the Critical Infiltration Pressure Model for Situation of Rough Surface of Carbon Fibers
Haofeng Zhao, Ling Wang, Xinyue Zhao, and Junyi Su
J. Comput. Theor. Nanosci. 5, 1685-1687 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

On the Model of Fusing Agent Infiltration of Carbon Fiber Bunch by Supersonic Method
Ling Wang and Haofeng Zhao
J. Comput. Theor. Nanosci. 5, 1688-1689 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Study on the Ablation Resistance of Carbon-Based Composites in Reentry Simulation Environments
Zhang Dongmei, Duan Dengping, and Chen Ji'an
J. Comput. Theor. Nanosci. 5, 1690-1692 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Research on an Expert System for Processes Selection in Composite Materials Engineering
Yu Jia, Zhang Boming, Shi Liping, and Cong Jingjie
J. Comput. Theor. Nanosci. 5, 1693-1695 (2008)
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The Composition Variation in Evaporation of Multi-Component Alloys by Electron Beam Physical Vapor Deposition
Y. Xin, X. D. He, M. W. Li, and Y. Sun
J. Comput. Theor. Nanosci. 5, 1696-1699 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Experimental Study of Glass Fibre Reinforced Polymer-Strengthened Bridge RC Beams Subjected to
Fatigue Loading

Liyuan Shi, Pingqi Xia, and Liping Shi
J. Comput. Theor. Nanosci. 5, 1700-1703 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Finite Element Modeling of Residual Stress of Ti/TiAl Multilayer Composites Prepared by Electron Beam Physical
Vapor Deposition Technology

Liping Shi, Yesheng Zhong, Jia Yu, and Xiaodong He
J. Comput. Theor. Nanosci. 5, 1704-1707 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Inverse Heat Conduction Analysis of Quenching Process Based on Finite Element Method and Genetic Algorithm
Hongxiu Yang, Wenjie Zuo, Dengfeng Wu, and Luquan Ren
J. Comput. Theor. Nanosci. 5, 1708-1712 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Predicting Temper Embrittlement of 30Cr2MoV Rotor Steel with Genetic Programming
Xiaoming Cao, Yongzhe Fan, Rina Ma, and An Du
J. Comput. Theor. Nanosci. 5, 1713-1716 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Atomic Simulation of Vitrification Transformation in Mg-Cu Thin Film
Y. C. Lo, J. C. Huang, C. L. Chen, S. P. Ju, H. S. Chou, X. H. Du, M. C. Liu, and C. N. Kuo
J. Comput. Theor. Nanosci. 5, 1717-1721 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Numerical Simulation of Ablation Behavior and Thermal Stress Field of Fused Silica Composite
Desheng Lu, Jiahu Ouyang, Yu Zhou, Dechang Jia, and Yujin Wang
J. Comput. Theor. Nanosci. 5, 1722-1724 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Fabrication and Mechanical Properties of Electroconductive High Temperature ZrC Particle-Reinforced
Ti3AlC2 Composites

G. M. Song, W. G. Sloof, S. B. Li, and S. van der Zwaag
J. Comput. Theor. Nanosci. 5, 1725-1729 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Elevated Temperature Compressive Strength and Deformation Behavior of a ZrCP Reinforced
Tungsten-Matrix Composite

Yujin Wang, Taiquan Zhang, Yu Zhou, Tingquan Lei, and Guiming Song
J. Comput. Theor. Nanosci. 5, 1730-1734 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

A Structure Model for t2-Al13Co4 Deduced by the Strong Reflections Approach
H. Zhang, S. J. Wang, S. C. Wang, Z. C. Li, S. Hovmöller, and X. D. Zou
J. Comput. Theor. Nanosci. 5, 1735-1737 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

The Effective Moduli of Short Fiber Composite with Graded Interphase
Jianhui Zhao and Dongxia Lei
J. Comput. Theor. Nanosci. 5, 1738-1742 (2008)
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Fabrication and Characterization of K-H Co-Doped p-ZnO Thin Films
Wu Jun and Yang Yintang
J. Comput. Theor. Nanosci. 5, 1743-1745 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Diffusion-Based Analytical Modeling of Brazing Stainless Steel with BNi-2
Hu Chen, Jian-Ming Gong, Shan-Tung Tu, and Wen-Chun Jiang
J. Comput. Theor. Nanosci. 5, 1746-1752 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Effects of Slight Re Addition on a Fe-25Mn-6Si-5Cr Shape Memory Alloy
T. P. Wang, K. M. Lin, H. C. Lin, W. J. Wu, and P. C. Lo
J. Comput. Theor. Nanosci. 5, 1753-1757 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Environmental Degradation Behaviors of Glass/Carbon Fiber-Reinforced Polymer Composites
Sung-Youl Bae, Yun-Hae Kim, Kook-Jin Kim, Joong-Won Han, and Kyung-Man Moon
J. Comput. Theor. Nanosci. 5, 1758-1762 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

The Study on Fatigue Lifetime Evaluation on the Interconnect of Diaphragm Type Pressure Sensor
According to Various

Sun-Chul Huh, Jae-Joon Shim, Jin-Ho Choi, and Jin-Hwe Kweon
J. Comput. Theor. Nanosci. 5, 1763-1767 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Development of Hybrid Atomistic/Coarse-Grained Dynamic Simulation Approach
Ryo Kobayashi, Takahide Nakamura, and Shuji Ogata
J. Comput. Theor. Nanosci. 5, 1768-1771 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Adhesion Property and Tool Wear of Hybrid Deposited Ti0.67Al0.23Si0.09N Coatings with WC Grain Size and
Co Content

Myung Chang Kang, Min Wook Kim, Kwang Ryul Kim, Kwang Ho Kim, Sung Yuen Jung, Chul Kim, and Dong Gyu Ahn
J. Comput. Theor. Nanosci. 5, 1772-1776 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

First Principles Calculation Characterization of Phase FeN0.076 Produced During Lower Plasma Nitriding of
Nanocrystallized Surface Layer

M. F. Yan, Y. Q. Wu, R. L. Liu, and M. Yang
J. Comput. Theor. Nanosci. 5, 1777-1782 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

An Investigation of Thermal Mismatch Stress Assisted Void Nucleation in Welded Al Alloy Joints
Jitai Niu and Cheng Jin
J. Comput. Theor. Nanosci. 5, 1783-1787 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Dynamic Analysis on the Preparation of SiC/Cu Composites
Bingbing Fan, Ruiyu Liu, Huimin Chen, Hailong Wang, Deliang Chen, and Rui Zhang
J. Comput. Theor. Nanosci. 5, 1788-1791 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 5, Number 7 ( July 2008) pp.1193 - 1462


REVIEW
Hierarchical Coexistence of Universality and Diversity Controls Robustness and Multi-Functionality in
Protein Materials

Theodor Ackbarow and Markus J. Buehler
J. Comput. Theor. Nanosci. 5, 1193–1204 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Interaction of Amino Acids with Single-Walled Carbon Nanotubes: Insights from Density
Functional Theory Calculations

Vladimir A. Basiuk and Maria Bassiouk
J. Comput. Theor. Nanosci. 5, 1205–1209 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

An Ab Initio Study of Molecular Hydrogen Interaction with SiC Nanotube—A Precursor to Hydrogen Storage
Souptik Mukherjee and Asok K. Ray
J. Comput. Theor. Nanosci. 5, 1210–1219 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

The Bridging Domain Multiscale Method and Its High Performance Computing Implementation
Shaoping Xiao, Jun Ni, and Shaowen Wang
J. Comput. Theor. Nanosci. 5, 1220–1229 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Electron–Phonon Interaction in Cylindrical Nanostructures
Vjekoslav Sajfert, Ljiljana Maškovic, Stevo Jacimovski, Dušan Popov, and Bratislav Tošic
J. Comput. Theor. Nanosci. 5, 1230–1239 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Simulation of Internally-Pressurized Nanochannels
Yong X. Gan
J. Comput. Theor. Nanosci. 5, 1240–1250 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

The Stable Finite Element Method for Minimization Problems
B. Liu and Y. Huang
J. Comput. Theor. Nanosci. 5, 1251–1254 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Optical Absorption Spectra of Coinage Metals (Cu, Ag, Au) Nanorods: A Theoretical Study
Animesh K. Ojha and Ranjan K. Singh
J. Comput. Theor. Nanosci. 5, 1255–1262 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Stabilization of Excess Electrons in Molecular Charge Pockets on Nano-Surfaces
A. F. Jalbout, Z. Romanowski, F. Contrerras-Torres, and A. de Leon
J. Comput. Theor. Nanosci. 5, 1263–1268 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Nanoscale Molecular Surface Electron Solvation
Abraham F. Jalbout
J. Comput. Theor. Nanosci. 5, 1269–1276 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Density Matrix Renormalization Group for Dummies
Gabriele De Chiara, Matteo Rizzi, Davide Rossini, and Simone Montangero
J. Comput. Theor. Nanosci. 5, 1277–1288 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Stochastic Analysis of Reversible Self-Assembly
Urmi Majumder, Sudheer Sahu, and John H. Reif
J. Comput. Theor. Nanosci. 5, 1289–1305 (2008)
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Interaction Between an Endohedral N Atom and a C60 Fullerene Cage by Density Functional Theory
Xin Yue, Jijun Zhao, Ce Hao, Wenxiu Ren, and Jieshan Qiu
J. Comput. Theor. Nanosci. 5, 1306–1309 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Electromigration and Thermal Stress-Induced Surface Diffusion and Morphology Evolution of Micro Solder Joints
Haicheng Guo and Wei Lu
J. Comput. Theor. Nanosci. 5, 1310–1317 (2008)
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Grain Boundary Mediated Dislocation Behavior in a 2D Bi-Crystal: A Model Atomistic Study
Y.-L. Shen and M. Y. Al-Haik
J. Comput. Theor. Nanosci. 5, 1318–1327 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Concentrically Carbon Nanotubes Molecular Motor Under Temperature Effect
Antônio Maia de Jesus Chaves Neto
J. Comput. Theor. Nanosci. 5, 1328–1330 (2008)
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Time Dependence of Carbon Nanotube and Nanostring Like a Pitchfork as Molecular Gun
Antônio Maia de Jesus Chaves Neto
J. Comput. Theor. Nanosci. 5, 1331–1333 (2008)
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Implementing a Power Efficient PN Sequence Generator Using Spintronic Devices for Code Division Multiple
Access Based Wireless Mobile Communication

Subir Kumar Sarkar, Ankush Ghosh, Anindya Ghosh, K. Senthil Kumar, and T. Datta
J. Comput. Theor. Nanosci. 5, 1334–1339 (2008)
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Twist-Direction-Dependent Buckling Behaviors of Single-Walled Carbon Nanotubes
Yu Wang, Bin Liu, and Daining Fang
J. Comput. Theor. Nanosci. 5, 1340–1344 (2008)
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Influence of Light on the Einstein Relation in Ultra-Thin Films of III–V, Ternary and Quaternary Materials:
Simplified Theory, Relative Comparison and Suggestion for Experimental Determination

K. P. Ghatak, S. Bhattacharya, D. De, R. Sarkar, S. Pahari, A. Dey, A. K. Dasgupta, and S. N. Biswas
J. Comput. Theor. Nanosci. 5, 1345–1366 (2008)
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Theoretical Modeling of Fullerene-Porphyrine Interactions: Computational Implications
Flavio F. Contreras-Torres, Abraham F. Jalbout, Oscar F. Amelines, and Vladimir A. Basiuk
J. Comput. Theor. Nanosci. 5, 1367–1371 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Ultrahigh Frequency Longitudinal Oscillators from Single-Walled Carbon Nanotubes
Yitao Dai, Wanlin Guo, Chun Li, and Chun Tang
J. Comput. Theor. Nanosci. 5, 1372–1376 (2008)
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Lattice-Boltzmann Models Simulation of Wetting Modes on the Surface with Nanostructures
Yang Yu and YiLun Liu
J. Comput. Theor. Nanosci. 5, 1377–1380 (2008)
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Sequence-Dependent Unpeeling Dynamics of Stretched DNA Double Helix
Hu Chen, Hongxia Fu, and Chan Ghee Koh
J. Comput. Theor. Nanosci. 5, 1381–1386 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Effects of Cross-Sectional Shape and Temperature on Mechanical Behavior of Platinum Nanowires
S. J. A. Koh and H. P. Lee
J. Comput. Theor. Nanosci. 5, 1387–1397 (2008)
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Novel Feature of Quantum Transport Through Ultra-Thin Quantum Film
Santanu K. Maiti
J. Comput. Theor. Nanosci. 5, 1398–1402 (2008)
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Influence of Water on the Frequency of Carbon Nanotube Oscillators
Zhao Qin, Jian Zou, and Xi-Qiao Feng
J. Comput. Theor. Nanosci. 5, 1403–1407 (2008)
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Bose Operators as Linear Combination of Fermi Operators. Correlated Electron Pairs Formation
Carlos Figueroa, René Betancourt-Riera, Ricardo Betancourt-Riera, Raúl Riera, and Rodrigo Arturo Rosas-Burgos
J. Comput. Theor. Nanosci. 5, 1408–1412 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

A Novel Way to Fabricate Nanowires by Directed Self-Organization of Atoms
Qiyang Hu and Nasr M. Ghoniem
J. Comput. Theor. Nanosci. 5, 1413–1419 (2008)
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Density Functional Theory Study of Structural Properties and Charge Delocalization in Carbonium Ions (C3 to C5)
M. Hafied and M. Belloum
J. Comput. Theor. Nanosci. 5, 1420–1427 (2008)
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On Diameter of Zig-Zag Polyhex Nanotubes
M. A. Iranmanesh and A. Adamzadeh
J. Comput. Theor. Nanosci. 5, 1428–1430 (2008)
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Computing Padmakar-Ivan Index of a TC4C8(R) Nanotorus
Ali Reza Ashrafi and Amir Loghman
J. Comput. Theor. Nanosci. 5, 1431–1434 (2008)
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An Electro-Static Model for the Stability of Thiol Monolayer-Protected Silver Nanoparticles
Suraj Kumar Tripathy and Yeon-Tae Yu
J. Comput. Theor. Nanosci. 5, 1435–1439 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Modeling of Nanotube Based Nanopumps, Nanoactuators and Nanooscillators Using Lattice Boltzmann Method
Jinlong Zhang, Yu Liu, Mei Liu, W. M. Lau, and Jun Yang
J. Comput. Theor. Nanosci. 5, 1440–1444 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Fundamental Rules to Construct Highly Integrated Organic Nanowires as Nanodevices
Denille Brito de Lima and Jordan Del Nero
J. Comput. Theor. Nanosci. 5, 1445–1449 (2008)
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The Kinetics and Modes of Gold Nanowire Breaking
Honghai Liu, Enyong Jiang, Haili Bai, Ping Wu, Zhiqing Li, and Chang Q. Sun
J. Comput. Theor. Nanosci. 5, 1450–1453 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

COMMUNICATIONS
Length Dependent Material Properties of Carbon Nanotubes
Q. Wang, Q. K. Han, and B. C. Wen
J. Comput. Theor. Nanosci. 5, 1454–1457 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Transport of Glucose in Carbon Nanotubes with Different Chiralities
Julie Kimsal, Marwan Al-Haik, and Tariq Khraishi
J. Comput. Theor. Nanosci. 5, 1458–1462 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

ERRATUM
Analysis of the Propagation of Light Along an Array of Nanorods Using the Generalized Multipole Techniques
J. Comput. Theor. Nanosci. Vol. 5, pp. 711–716 (2008)
Nahid Talebi and Mahmoud Shahabdi
J. Comput. Theor. Nanosci. 5, (i) (2008)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 5, Number 6 ( June 2008) pp.997- 1191


A SPECIAL ISSUE
Semiconductor Device Simulation
Guest Editor: Andreas Gehring
J. Comput. Theor. Nanosci. 5, 997–998 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

REVIEWS
Semiconductor Device Modeling
D. Vasileska, D. Mamaluy, H. R. Khan, K. Raleva, and S. M. Goodnick
J. Comput. Theor. Nanosci. 5, 999–1030 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Atomistic Simulation of Nanowire Transistors
Mathieu Luisier and Andreas Schenk
J. Comput. Theor. Nanosci. 5, 1031–1045 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Quantum-Corrected Monte Carlo Simulation of Double Gate Silicon on Insulator Transistors
Carlos Sampedro, Francisco Gámiz, and Andrés Godoy
J. Comput. Theor. Nanosci. 5, 1046–1057 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Physics and Simulation of Vertical-Cavity Surface-Emitting Lasers
Bernd Witzigmann, Alexandra Bäcker, and Stefan Odermatt
J. Comput. Theor. Nanosci. 5, 1058–1071 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Impact of High-k Gate Stacks on Transport and Variability in Nano-CMOS Devices
J. R. Watling, A. R. Brown, G. Ferrari, J. R. Barker, G. Bersuker, P. Zeitzoff, and A. Asenov
J. Comput. Theor. Nanosci. 5, 1072–1088 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Overview of Technology Computer-Aided Design Tools and Applications in Technology Development,
Manufacturing and Design

Wolfgang Fichtner
J. Comput. Theor. Nanosci. 5, 1089–1105 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
A Better Understanding of the Requirements for Predictive Modeling of Strain Engineering in nMOS Transistors
G. Comparone, P. Palestri, D. Esseni, L. Lucci, and L. Selmi
J. Comput. Theor. Nanosci. 5, 1106–1114 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Three-Dimensional Simulations of Quantum Confinement and Random Dopants Effects in Nanoscale nMOSFETs
G. Fiori, S. Di Pascoli, and G. Iannaccone
J. Comput. Theor. Nanosci. 5, 1115–1119 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Simulation of Electron Transport in Nanoscale Independent-Gate Double-Gate Devices Using a
Full 2D Green's Function Approach

Jean-Luc Autran and Daniela Munteanu
J. Comput. Theor. Nanosci. 5, 1120–1127 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Formalism Application of the Non-Equilibrium Green's Function for the Numerical Analysis of
Carbon Nanotube FETs

Mahdi Pourfath and Hans Kosina
J. Comput. Theor. Nanosci. 5, 1128–1137 (2008)
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Single-Walled Zig-Zag Carbon Nanotube Steady-State Transport Characteristics
Akin Akturk and Neil Goldsman
J. Comput. Theor. Nanosci. 5, 1138–1144 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Scaling Properties of Silicon Nanowire and Carbon-Nanotube FETs
E. Gnani, S. Reggiani, A. Gnudi, M. Rudan, and G. Baccarani
J. Comput. Theor. Nanosci. 5, 1145–1151 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Transport and Noise Calculations for Nanoscale Si Devices Based on the Langevin Boltzmann
Equation Expanded with Spherical Harmonics

C. Jungemann
J. Comput. Theor. Nanosci. 5, 1152–1169 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Application-Driven Simulation of Nanoscaled CMOS Transistors and Circuits
A. Burenkov, C. Kampen, E. Baer, J. Lorenz, and H. Ryssel
J. Comput. Theor. Nanosci. 5, 1170–1182 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Modeling and Simulation of Conduction Characteristics and Programming Operation in
Nanoscaled Phase-Change Memory Cells

A. Redaelli, D. Ielmini, U. Russo, and A. L. Lacaita
J. Comput. Theor. Nanosci. 5, 1183–1191 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Elastic Theory of Low-Dimensional Continua and Its Applications in Bio- and Nano-Structures
J. Comput. Theor. Nanosci. Vol. 5, pp. 422–448 (2008)
Z. C. Tu and Z. C. Ou-Yang
J. Comput. Theor. Nanosci. 5, (i) (2008)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 5, Number 5 ( May 2008) pp.751- 996


REVIEWS
Antibody-Guided Nanoparticles
Dimiter S. Dimitrov, Yang Feng, and Ponraj Prabakaran
J. Comput. Theor. Nanosci. 5, 751–759 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

A Minimal Toolset for Positional Diamond Mechanosynthesis
Robert A. Freitas Jr. and Ralph C. Merkle
J. Comput. Theor. Nanosci. 5, 760–861 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

High-Temperature Photonic Structures. Thermal Barrier Coatings, Infrared Sources and Other Applications
Valery Shklover, Leonid Braginsky, Gregoire Witz, Matthew Mishrikey, and Christian Hafner
J. Comput. Theor. Nanosci. 5, 862–893 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Adsorption at Nanostructured Surfaces from First Principles
Axel Groß
J. Comput. Theor. Nanosci. 5, 894–922 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Numerical Methods for Nanoscopic Systems Based on Density Matrix Renormalization
Karen Hallberg
J. Comput. Theor. Nanosci. 5, 923–941 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Searching for Quantum Programs and Quantum Protocols
Susan Stepney and John A. Clark
J. Comput. Theor. Nanosci. 5, 942–969 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Computational Nanomechanics of Materials
Wing Kam Liu, Sukky Jun, and Dong Qian
J. Comput. Theor. Nanosci. 5, 970–996 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 5, Number 4 ( April 2008) pp.401- 750


REVIEWS
A Molecular View on Electron Transport in Molecular Electronic Devices
Mathias Kula, Jun Jiang, and Yi Luo
J. Comput. Theor. Nanosci. 5, 401–421 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Elastic Theory of Low-Dimensional Continua and Its Applications in Bio- and Nano-Structures
Z. C. Tu and Z. C. Ou-Yang
J. Comput. Theor. Nanosci. 5, 422–448 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Theoretical Modeling on Mechanical-Electrical Coupling of Carbon Nanotubes
Jun-Qiang Lu and Hanqing Jiang
J. Comput. Theor. Nanosci. 5, 449–463 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
A Hybrid Density Functional Study of Zigzag and Chiral Si Nanotubes
Somilkumar J. Rathi and Asok K. Ray
J. Comput. Theor. Nanosci. 5, 464–475 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Optical Frequency Magnetic Activity in Metal Nanocluster Photonic Crystal
Wounjhang Park and Qi Wu
J. Comput. Theor. Nanosci. 5, 476–482 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

New Theoretical Approach of the Physical Processes in Nanostructures
M. Agop, N. Forna, I. Casian-Botez, and C. Bejenariu
J. Comput. Theor. Nanosci. 5, 483–489 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Event-by-Event Simulation of Quantum Cryptography Protocols
Shuang Zhao and Hans De Raedt
J. Comput. Theor. Nanosci. 5, 490–504 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Substitution Effects in Biphenyl Linked Fullerene Dimer Systems
A. F. Jalbout
J. Comput. Theor. Nanosci. 5, 505–511 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Fullerene as an Electron Buffer: Charge Transfer and Solvent Interactions
Isaac Jiménez-Fabián and Abraham F. Jalbout
J. Comput. Theor. Nanosci. 5, 512–516 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

New Insight into the Concept of Ferroelectric Correlation Volume
Grégory Geneste, Eric Bousquet, and Philippe Ghosez
J. Comput. Theor. Nanosci. 5, 517–520 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Recalculations of Mechanical Properties of Carbon Nanotube Bundle
Charlie Liu, Chuck Zhang, Richard Liang, and Ben Wang
J. Comput. Theor. Nanosci. 5, 521–527 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Reliability Analysis of Carbon Nanotubes Using Molecular Dynamics with the Aid of Grid Computing
Shaoping Xiao, Shaowen Wang, Jun Ni, Ransom Briggs, and Maciej Rysz
J. Comput. Theor. Nanosci. 5, 528–534 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Cooperative Effects in Molecular Conduction
Arie Landau, Leeor Kronik, and Abraham Nitzan
J. Comput. Theor. Nanosci. 5, 535–544 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Quantum Mechanical Design of Molecular Electronics OR Gate for Regulation of Minimal Cell Functions
Arvydas Tamulis and Vykintas Tamulis
J. Comput. Theor. Nanosci. 5, 545–553 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Structure and Properties of a Series of Arylselenium [60]Fulleropyrrolidine Derivatives
Abraham F. Jalbout, Flavio F. Contreras-Torres, Ali Jameel Hameed, Bartosz Trzaskowski, and Vladimir A. Basiuk
J. Comput. Theor. Nanosci. 5, 554–562 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

A General Rule for Nanoelectronic Push–Pull Devices Based on Source-s Bridge-Drain
Denille Brito de Lima, Marcos Allan Leite Reis, Fabrício Macedo de Souza, and Jordan Del Nero
J. Comput. Theor. Nanosci. 5, 563–566 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Design of a Three-Terminal Nanodevice: Controlled Molecular Rectifier
Marcos Allan Leite Reis and Jordan Del Nero
J. Comput. Theor. Nanosci. 5, 567–570 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

An Efficient Alternating Direction Implicit-Based Fourier Spectral Method for the Simulation of
Dispersive Metallic Structures

W. H. P. Pernice, J. H. Kuypers, V. W. A. Pernice, and M. Esashi
J. Comput. Theor. Nanosci. 5, 571–580 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Flexural Wave Propagation in Single-Walled Carbon Nanotubes
K. M. Liew, Yangao Hu, and X. Q. He
J. Comput. Theor. Nanosci. 5, 581–586 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Linearization of Single Phonon Hamiltonian and Explanation the Skin Effect in Cylindrical Structures
Vjekoslav Sajfert, Ljiljana Maškovic, Bratislav Tošic, and Jovan Šetrajcic
J. Comput. Theor. Nanosci. 5, 587–590 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Binding Energies of Ground and Excited States of Shallow Donors in Semimagnetic Parabolic Quantum Dots
A. John Peter
J. Comput. Theor. Nanosci. 5, 591–596 (2008)
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Study of Optical Transmission in Nanometallic Photonic Crystal
Arafa H. Aly and Sang-Wan Ryu
J. Comput. Theor. Nanosci. 5, 597–601 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Oscillating Semicircle and Carbon Nanotube as Molecular Motor Under Temperature Effect
Antônio Maia de Jesus Chaves Neto, Altem Nascimento Pontes, and Gunar Vingre da Silva Mota
J. Comput. Theor. Nanosci. 5, 602–604 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Molecular Carbon Nanotubes as Molecular Gun Under Temperature Effect
Antônio Maia de Jesus Chaves Neto
J. Comput. Theor. Nanosci. 5, 605–607 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

First-Principles Study of the Carbon-Oxygen Nanotubes
Rongcai Ma, Hongming Wang, Meishan Wang, and Mingsheng Tang
J. Comput. Theor. Nanosci. 5, 608–613 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Density Functional Theory Study of Boron Nitride Nanotubes: Calculations of the N-14 and
B-11 Nuclear Quadrupole Resonance Parameters

Z. Bagheri, M. Mirzaei, N. L. Hadipour, and M. R. Abolhassani
J. Comput. Theor. Nanosci. 5, 614–618 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Evaluation of Threshold Voltage for 30 nm Symmetric Double Gate (SDG) MOSFET and It’s Variation with
Process Parameters

S. K. Vishvakarma, B. Raj, A. K. Saxena, Rahul Singh, Chinmaya R. Panda, and S. Dasgupta
J. Comput. Theor. Nanosci. 5, 619–626 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Molecular Dynamics Simulations of Noble Gas Release from Endohedral Fullerene Aggregates
Due to Cage Disintegration

M. K. Balasubramanya, M. W. Roth, P. D. Tilton, and B. A. Suchy
J. Comput. Theor. Nanosci. 5, 627–634 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Stability and Electronic Properties of GaN Nanowires—An Ab-Initio Approach
Pankaj Srivastava, Satyendra Singh, and Abhay Mishra
J. Comput. Theor. Nanosci. 5, 635–638 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Volumetric Dependence of Interatomic Distance in Dense Nanosystems: A Theoretical and
Molecular Dynamics Study

Pirooz Mohazzabi and G. Ali Mansoori
J. Comput. Theor. Nanosci. 5, 639–646 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Modulational Instability and Pattern Formation in DNA Dynamics with Viscosity
Conrad B. Tabi, Alidou Mohamadou, and Timoléon C. Kofané
J. Comput. Theor. Nanosci. 5, 647–654 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Energy Dissipation in the Double-Walled Carbon Nanotube Based Mechanical Oscillators
Zhiping Xu
J. Comput. Theor. Nanosci. 5, 655–658 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Electric Field Processing of Core–Shell Nanoparticles
Jonghyun Park and Wei Lu
J. Comput. Theor. Nanosci. 5, 659–665 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Toward a Universal Embedded-Atom Method: II. A Set of Transferable Density and Dimmer
Referenced Embedding Energy Functions for All Elements of the Periodic Table as Tool for Removing
Two Gauge Degrees of Freedom in EAM Potentials

Aleksander Herman
J. Comput. Theor. Nanosci. 5, 666–670 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

A Fast Matrix Inverse Algorithm for the NEGF + DFT Approach with Localized Basis Functions
Zekan Qian, Shimin Hou, Rui Li, Ziyong Shen, Xingyu Zhao, and Zengquan Xue
J. Comput. Theor. Nanosci. 5, 671–676 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Spin Singlet-Triplet Energy Splitting in the Ground State of a Quantum Dot with a
Magnetic Field: Effect of Dimensionality

Mohammad K. Elsaid, Mohammad A. Al-Naafa, and Salah Zugail
J. Comput. Theor. Nanosci. 5, 677–680 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Relationship Between PI and Szeged Indices of a Triangulane and Its Associated Dendrimer
Ali Reza Ashrafi and Hamid Saati
J. Comput. Theor. Nanosci. 5, 681–684 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

COMMUNICATION
Realization of Nano-Resister Employing Single Electron Transistor
Navendu Goswami and Ankur Shrivastava
J. Comput. Theor. Nanosci. 5, 685–688 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

A SPECIAL SECTION
Numerical Methods for Optical Nanostructures
Guest Editor: Christian Hafner
J. Comput. Theor. Nanosci. 5, 689 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Equivalent Circuit (EC) FDTD Method for the Modeling of Surface Plasmon Based Couplers
A. Rennings, J. Mosig, C. Caloz, D. Erni, and P. Waldow
J. Comput. Theor. Nanosci. 5, 690–703 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Radar Absorbers Based on Frequency Selective Surfaces on Perforated Substrates
Arya Fallahi, Matthew Mishrikey, Christian Hafner, and Rüdiger Vahldieck
J. Comput. Theor. Nanosci. 5, 704–710 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Analysis of the Propagation of Light Along an Array of Nanorods Using the Generalized Multipole Techniques
Nahid Talebi and Mahmoud Shahabdi
J. Comput. Theor. Nanosci. 5, 711–716 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Flat Bands and Surface States in Two-Dimensional Metallic Photonic Crystals
Michael Bergmair, Kurt Hingerl, and Christian Hafner
J. Comput. Theor. Nanosci. 5, 717–724 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Numerical Analysis of Channel Plasmon Polaritons Enhanced Optical Antennas
Jasmin Smajic, Christian Hafner, Kakhaber Tavzarashvili, and Ruediger Vahldieck
J. Comput. Theor. Nanosci. 5, 725–734 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

3-Dimensional Finite Element Time Domain Analysis of an Asymmetric Near-Field Optical Probe
Benedikt Oswald, Patrick Leidenberger, and Christian Hafner
J. Comput. Theor. Nanosci. 5, 735–745 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Porous-Alumina Photonic Crystals as Superprisms for Wavelength Division Multiplexing (WDM) Applications
Paolo G. Ferrandi
J. Comput. Theor. Nanosci. 5, 746–750 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 5, Number 3 ( March 2008) pp.247- 400


REVIEWS
Water on NaCl Surface: Adsorption, Diffusion, Dissolution, and Nucleation
Yong Yang and E. G. Wang
J. Comput. Theor. Nanosci. 5, 247–268 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Time Dependent Density Functional Approach to Photo-Induced Dynamics in Carbon Nanotubes
Yoshiyuki Miyamoto
J. Comput. Theor. Nanosci. 5, 269–276 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
The Aqueous and Crystalline Forms of L-Alanine Zwitterion
Ivan Degtyarenko, Karl J. Jalkanen, Andrey A. Gurtovenko, and Risto M. Nieminen
J. Comput. Theor. Nanosci. 5, 277–285 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Morphological Transitions During Si Capping in Ge/Si Nanoislands
Christian Lang, Frances M. Ross, and David J. H. Cockayne
J. Comput. Theor. Nanosci. 5, 286–289 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Multi-Walled Carbon Nanotube Oscillators as Multi-Frequency Generators for Nano Embedded Systems
Jeong Won Kang, Oh Keun Kwon, and Jun Ha Lee
J. Comput. Theor. Nanosci. 5, 290–293 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Numerical Analysis of Thermally Induced Micro Fiber Deformation Using a High Frequency
Magnetic Field in Human Lung

Y. H. Shang, W. H. Finlay, and W. A. Moussa
J. Comput. Theor. Nanosci. 5, 294–301 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Gigahertz Oscillators Constructed from Carbon Nanocones Inside Carbon Nanotubes
Duangkamon Baowan and James M. Hill
J. Comput. Theor. Nanosci. 5, 302–310 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Carbon Nanotube and Ordinary Nanowire Track as Molecular Motor Under Temperature Effect
Antônio Maia de Jesus Chaves Neto and Gunar Vingre da Silva Mota
J. Comput. Theor. Nanosci. 5, 311–313 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Carbon Nanotube and Iron Circle as Molecular Motor Under Temperature Effect
Antônio Maia de Jesus Chaves Neto
J. Comput. Theor. Nanosci. 5, 314–316 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Theory and Classification of Nanostructure Shells
E. F. Kustov
J. Comput. Theor. Nanosci. 5, 317–327 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Spin-Dependent Conductance in Mesoscopic System
Arafa H. Aly and Sang-Wan Ryu
J. Comput. Theor. Nanosci. 5, 328–330 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Desorption and Absorption Dynamics of Hydrogen in Palladium Nanoclusters
F. Calvo
J. Comput. Theor. Nanosci. 5, 331–340 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

An Analytical Lattice Model Study of fcc Nanowires
I-Ling Chang and Jen-Chin Huang
J. Comput. Theor. Nanosci. 5, 341–347 (2008)
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Molecular Dynamics Simulation of Carbon Nanotubes Interacting with a Graphite Surface
S. Negi, M. Warrier, S. Chaturvedi, and K. Nordlund
J. Comput. Theor. Nanosci. 5, 348–353 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

A Study of Transient Enhanced Diffusion for Indium Impurity in Nanoscale Semiconductor Device
Jun-Ha Lee
J. Comput. Theor. Nanosci. 5, 354–358 (2008)
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Nano-Scale Modelling of the Mechanical Properties of Pb-Free Solder Alloys
J. Davoodi, M. T. Fallahi, and H. Rafii-Tabar
J. Comput. Theor. Nanosci. 5, 359–365 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Study of Hydrogen Molecule and Hydrogen Molecular Ion Confined in C60 Fullerene
G. Tayebirad, M. Molayem, and M. Neek-Amal
J. Comput. Theor. Nanosci. 5, 366–374 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Einstein Relation in Carbon Nanotubes and Quantum Wires of Nonlinear Optical, Optoelectronic and
Related Materials: Simplified Theory, Relative Comparison and Suggestion for an Experimental Determination

S. Choudhury, D. De, S. Mukherjee, A. Neogi, A. Sinha, M. Pal, S. K. Biswas, S. Pahari, S. Bhattacharya,
and K. P. Ghatak

J. Comput. Theor. Nanosci. 5, 375–400 (2008)
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 Volume 5, Number 2 ( February 2008) pp.141-246


EDITORIAL
A Special Issue on Nanoscale Heat Transfer
Guest Editors: Gang Chen, Ronggui Yang, and Sebastian Volz
J. Comput. Theor. Nanosci. 5, (i–ii) (2008)
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RESEARCH ARTICLES
Spectral Phonon Transport Properties of Silicon Based on Molecular Dynamics Simulations
and Lattice Dynamics

Asegun S. Henry and Gang Chen
J. Comput. Theor. Nanosci. 5, 141–152 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Thermal Contact Resistance Between Two Nanoparticles
Gilberto Domingues, Denis Rochais, and Sebastian Volz
J. Comput. Theor. Nanosci. 5, 153–156 (2008)
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Interface Effects on Lattice Thermal Conductivities of Superlattices
Yunfei Chen, Deyu Li, Juekuan Yang, Yujuan Wang, and Han Hu
J. Comput. Theor. Nanosci. 5, 157–164 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Variance-Reduced Particle Methods for Solving the Boltzmann Equation
Lowell L. Baker and Nicolas G. Hadjiconstantinou
J. Comput. Theor. Nanosci. 5, 165–174 (2008)
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Molecular-Scale Heat Transfer in Liquids and at Liquid–Solid Interfaces:
Toward the Quality Evaluation of Heat Flux

Taku Ohara
J. Comput. Theor. Nanosci. 5, 175–186 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Modeling Thermal Conductivity and Collective Effects in a Simple Nanofluid
Mihail Vladkov and Jean-Louis Barrat
J. Comput. Theor. Nanosci. 5, 187–193 (2008)
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Near Field Heat Transfer: Where Radiation Becomes Conduction
Karl Joulain
J. Comput. Theor. Nanosci. 5, 194–200 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Transmission Enhancement Through Nanoscale Metallic Slit Arrays from the Visible to Mid-Infrared
B. J. Lee, Y.-B. Chen, and Z. M. Zhang
J. Comput. Theor. Nanosci. 5, 201–213 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Optical Resonance in Bowtie-Shaped Nanoapertures
Eric X. Jin and Xianfan Xu
J. Comput. Theor. Nanosci. 5, 214–220 (2008)
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Ab Initio Photon-Electron and Electron-Vibration Coupling Calculations Related to
Laser Cooling of Ion-Doped Solids

X. L. Ruan and M. Kaviany
J. Comput. Theor. Nanosci. 5, 221–229 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Surface Reaction Mechanisms on the Cathode Catalyst of PEFC (Polymer Electrolyte Fuel Cell),
a Multi-Scale Analysis Integrating Quantum Molecular Dynamics and Chemical Kinetics

Ken Okazaki, Nobuki Koiwa, Ryo Kokubu, and Kazuyoshi Fushinobu
J. Comput. Theor. Nanosci. 5, 230–235 (2008)
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Lattice Boltzmann Simulation of Thermal Electro-Osmotic Flows in Micro/Nanochannels
Yong Shi, T. S. Zhao, and Z. L. Guo
J. Comput. Theor. Nanosci. 5, 236–246 (2008)
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 Volume 5, Number 1 ( January 2008) pp.1-139


REPORT
Brainstorming Tumors and Nanomedicine: The 2nd Annual Cancer Nanobiology Think Tank
Dimiter S. Dimitrov
J. Comput. Theor. Nanosci. 5, 1–6 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

REVIEWS
Fullerene-Like Cage Clusters from Non-Carbon Elements
Jijun Zhao, Li Ma, Dongxu Tian, and Ruihua Xie
J. Comput. Theor. Nanosci. 5, 7–22 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Carbon Nanotubes for Space and Bio-Engineering Applications
Kin-Tak Lau, Hoi-Yan Cheung, Jian Lu, Yan-Sheng Yin, David Hui, and Hu-Lin Li
J. Comput. Theor. Nanosci. 5, 23–35 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Error Correction and Digitalization Concepts in Biochemical Computing
Leonid Fedichkin, Evgeny Katz, and Vladimir Privman
J. Comput. Theor. Nanosci. 5, 36–43 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

The Magnetic Properties of CoPt, Bulk and Ultra-Thin Films: An Ab Initio Study
D. A. Wilson, N. C. Wilson, I. K. Snook, and S. P. Russo
J. Comput. Theor. Nanosci. 5, 44–47 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Carbon Nanotube Growth by Selective Heating Catalytic Nanoparticles
A. V. Vasenkov
J. Comput. Theor. Nanosci. 5, 48–55 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Spatial Interconnect Analysis for Predictable Nanotechnologies
S. N. Yanushkevich, V. P. Shmerko, and B. Steinbach
J. Comput. Theor. Nanosci. 5, 56–69 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

From Molecules to Nanoscale Materials: The Structural and Electronic Properties of Small
Gallium Arsenide Clusters up to Ga9As9

Xiaolan Zhou, Jijun Zhao, Xiaoshuang Chen, Wei Lu, Ruihua Xie, Zhongfang Chen, and R. Bruce King
J. Comput. Theor. Nanosci. 5, 70–79 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

A Pseudo-Atomistic Model for Nanoscale Strain-Controlled Diffusion Problems:
The Formation of Heteroepitaxial Alloyed Quantum Dot Superlattices

Simon P. A. Gill
J. Comput. Theor. Nanosci. 5, 80–87 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Biexciton Luminescence of PbS and PbSe Colloidal Quantum Dots in E-MAA and Phosphate Glasses
Sotirios Baskoutas and Andreas F. Terzis
J. Comput. Theor. Nanosci. 5, 88–92 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Direct Esterification of Oxidized Defects in Single-Walled Carbon Nanotubes: A Comparison of Several
ONIOM Computation Schemes

Flavio F. Contreras-Torres, Alejandro Arzate-Jacinto, and Vladimir A. Basiuk
J. Comput. Theor. Nanosci. 5, 93–101 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Oscillating Semicircle and Carbon Nanotube as Molecular Motor Controlled by Visible Light
Antônio Maia de Jesus Chaves Neto, Altem Nascimento Pontes, and Gunar Vingre da Silva Mota
J. Comput. Theor. Nanosci. 5, 102–105 (2008)
[Abstract] [Full Text - PDF] [Purchase Article]

Carbon Nanotube and Nanostring Like Pitchfork as Molecular Gun
Antônio Maia de Jesus Chaves Neto and Gunar Vingre da Silva Mota
J. Comput. Theor. Nanosci. 5, 106–108 (2008)
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Analytical Modeling of the Axial Coercive Field in Soft Ferromagnetic Nanocylinders
L. Clime, A. Yelon, Y. Wu, and T. Veres
J. Comput. Theor. Nanosci. 5, 109–116 (2008)
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Kinetic Monte Carlo Simulations of the Dramatic Effects of Attachment Probability and Potential Gradients on
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J. Comput. Theor. Nanosci. 5, 117–128 (2008)
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Computing Padmakar-Ivan (PI) Index of HAC5C6C7 Nanotubes and Nanotori
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J. Comput. Theor. Nanosci. 5, 129–130 (2008)
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Padmakar-Ivan (PI) Index of HAC5C7[r, p] Nanotubes
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J. Comput. Theor. Nanosci. 5, 131–139 (2008)
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