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 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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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Application and Finite Element Simulation of Plastic Blanking Deformation
B. P. Shang and H. Du
J. Comput. Theor. Nanosci. 5, 1631-1635 (2008)
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Finite Element Analysis of Continuous Equal Channel Angular Pressing Process
Xinbing Yun and Baoyun Song
J. Comput. Theor. Nanosci. 5, 1636-1640 (2008)
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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)
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Constant Pressure Molecular Dynamics Simulation for Ionic System
Zhiwei Cui, Yi Sun, and Jianmin Qu
J. Comput. Theor. Nanosci. 5, 1646-1650 (2008)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
[Abstract] [Full Text - PDF] [Purchase Article]

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)
[Abstract] [Full Text - PDF] [Purchase Article]

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)
[Abstract] [Full Text - PDF] [Purchase Article]

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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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 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)
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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)
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Atomistic Simulation of Nanowire Transistors
Mathieu Luisier and Andreas Schenk
J. Comput. Theor. Nanosci. 5, 1031–1045 (2008)
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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)
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Physics and Simulation of Vertical-Cavity Surface-Emitting Lasers
Bernd Witzigmann, Alexandra Bäcker, and Stefan Odermatt
J. Comput. Theor. Nanosci. 5, 1058–1071 (2008)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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 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)
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A Minimal Toolset for Positional Diamond Mechanosynthesis
Robert A. Freitas Jr. and Ralph C. Merkle
J. Comput. Theor. Nanosci. 5, 760–861 (2008)
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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)
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Adsorption at Nanostructured Surfaces from First Principles
Axel Groß
J. Comput. Theor. Nanosci. 5, 894–922 (2008)
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Numerical Methods for Nanoscopic Systems Based on Density Matrix Renormalization
Karen Hallberg
J. Comput. Theor. Nanosci. 5, 923–941 (2008)
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Searching for Quantum Programs and Quantum Protocols
Susan Stepney and John A. Clark
J. Comput. Theor. Nanosci. 5, 942–969 (2008)
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Computational Nanomechanics of Materials
Wing Kam Liu, Sukky Jun, and Dong Qian
J. Comput. Theor. Nanosci. 5, 970–996 (2008)
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 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] [