ISSN 1546-1955
A Special Issue on Multiscale and Multiphysics Simulations for Energy Applications
Guest Editors: Hanqing Jiang, Bin Liu, and Xu Guo
J. Comput. Theor. Nanosci. 8, 801-802 (2011)
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RESEARCH ARTICLES
Incorporation of Hydrogen Molecules into Carbon Nitride Heterofullerenes: An Ab Initio Study
M. Bezi Javan, M. D. Ganji, M. Sabet, and N. Danesh
J. Comput. Theor. Nanosci. 8, 803-807 (2011)
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Investigation of Charge Transfer and Excited State Nature of Two Isophorone Dyes
Yuanzuo Li, Huixing Li, Wenqin Zhang, Xiaohong zhao, Maodu Chen, and Fengcai Ma
J. Comput. Theor. Nanosci. 8, 808-813 (2011)
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Boundary Condition and Strain Effects on the Quality Factors of Single Walled Carbon Nanotubes
Sung Youb Kim and Harold S. Park
J. Comput. Theor. Nanosci. 8, 814-819 (2011)
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A Computational Study on the Transversal Visco-Elastic Properties of Single Walled Carbon
Nanotubes and Their Relation to the Damping Mechanism
Zhong Zhou, Dong Qian, and Min-Feng Yu
J. Comput. Theor. Nanosci. 8, 820-830 (2011)
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Simulated Raman Spectra of Small CaYb0,± (a < 2; b < 2a + 2; Y = H, D, T) Hydrocarbons in the
Fusion Devices
Xue Jiang, Jingcheng Xu, and Jijun Zhao
J. Comput. Theor. Nanosci. 8, 831-841 (2011)
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Optimal Parameters Assessment of Proton Exchange Membrane Fuel Cell on Module-Robot
P. S. Pa
J. Comput. Theor. Nanosci. 8, 847-852 (2011)
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Hydrogenation of Carbon Nanotubes: Roles of Symmetry and Strain
Kun Xue and Zhiping Xu
J. Comput. Theor. Nanosci. 8, 853-857 (2011)
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First-Principles Study on Alloying Effect on the Migration Barrier of He in Titanium Ditritide
Y. X. Wu, X. Liu, X. H. Yin, X. F. Ma, and Qian-Feng Zhang
J. Comput. Theor. Nanosci. 8, 858-861 (2011)
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First-Principles Investigations on the Feasibility of the Boron Nitride Fullerene-Like
B36N36 for Natural Gas Storage
M. D. Ganji, M. Ghorbanzadeh, M. Negaresh, A. A. Najafi, M. Rezvani, and M. Shokry
J. Comput. Theor. Nanosci. 8, 862-866 (2011)
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Critical Thickness and the Size-Dependent Curie Temperature of BaTiO3 Nanofilms
Yihui Zhang, Yongliang Sang, Bin Liu, and Daining Fang
J. Comput. Theor. Nanosci. 8, 867-872 (2011)
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Multiscale Modeling of the Interfacial Fracture Behavior in the Sn-Cu6 Sn5-Cu System
Huiyang Fei, Kyle Yazzie, Jason Williams, Nikhilesh Chawla, and Hanqing Jiang
J. Comput. Theor. Nanosci. 8, 873-880 (2011)
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Energy Dissipation of Nanoporous MFI Zeolite Under Dynamic Crushing
Baoxing Xu, Ling Liu, Qulan Zhou, Yu Qiao, Jun Xu, Yibing Li, Mooho Tak, Taehyo Park, and Xi Chen
J. Comput. Theor. Nanosci. 8, 881-886 (2011)
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