Search Results

Optimized many body potential for fcc metals

Authors: Yu, J.; Sinnott, S. B.; Phillpot, S. R.

Source: Philosophical Magazine Letters, Volume 89, Number 2, February 2009 , pp. 136-144(9)

Publisher: Taylor and Francis Ltd

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

Authors: Song, HaiYang; Zha, XinWei

Source: Journal of Computational and Theoretical Nanoscience, Volume 5, Number 8, August 2008 , pp. 1481-1484(4)

Publisher: American Scientific Publishers

Nonequilibrium molecular dynamics simulation for size effects on thermal conductivity of Si nanostructures

Authors: Yang, Y. W.; Liu, X. J.; Yang, J. P.

Source: Molecular Simulation, Volume 34, Number 1, January 2008 , pp. 51-56(6)

Publisher: Taylor and Francis Ltd

Multi-paradigm modeling of fracture of a silicon single crystal under mode II shear loading

Authors: Buehler, Markus J.; Cohen, Alan; Sen, Dipanjan

Source: Journal of Algorithms & Computational Technology, Volume 2, Number 2, June 2008 , pp. 203-221(19)

Publisher: Multi-Science Publishing Co Ltd

Li⁺ and Li Interactions with Carbon Nanocage Structures

Authors: Peköz, Rengin; Erkoç, Şakir

Source: Journal of Nanoscience and Nanotechnology, Volume 8, Number 2, February 2008 , pp. 675-678(4)

Publisher: American Scientific Publishers

Monte Carlo simulation of intercalated carbon nanotubes

Authors: Mykhailenko, Oleksiy; Matsui, Denis; Prylutskyy, Yuriy; Normand, Francois; Eklund, Peter; Scharff, Peter

Source: Journal of Molecular Modeling, Volume 13, Number 1, January 2007 , pp. 283-287(5)

Publisher: Springer

Study of structural and thermodynamic properties of GaAs and InAs using Monte Carlo simulations

Authors: Adhikari, J.; Kumar, A.

Source: Molecular Simulation, Volume 33, Number 8, July 2007 , pp. 623-628(6)

Publisher: Taylor and Francis Ltd

Thermal expansion of ZnSe by molecular dynamics simulation

Authors: Balasubramanian, A. K.; Ramachandran, K.

Source: Molecular Simulation, Volume 33, Number 8, July 2007 , pp. 685-688(4)

Publisher: Taylor and Francis Ltd

MD simulations on the melting and compression of C, SiC and Si nanotubes

Author: Shen, Haijun

Source: Journal of Materials Science, Volume 42, Number 15, August 2007 , pp. 6382-6387(6)

Publisher: Springer

Study of the possible charge bistability of a hydrogen H*₂ defect

Authors: Pokhil, G.; Popov, V.; Il'nitskii, M.; Fridman, V.

Source: Journal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques, Volume 1, Number 2, April 2007 , pp. 181-185(5)

Publisher: MAIK Nauka/Interperiodica

Molecular dynamics modelling and simulation of nanoscale ductile cutting of silicon

Authors: Cai, Minbo; Li, Xiaoping; Rahman, Mustafizur

Source: International Journal of Computer Applications in Technology, Volume 28, Number 1, 6 February 2007 , pp. 2-8(7)

Publisher: Inderscience Publishers

Application of Molecular Dynamics Simulations for Structural Studies of Carbon Nanotubes

Authors: Bródka, A.; Kołoczek, J.; Burian, A.

Source: Journal of Nanoscience and Nanotechnology, Volume 7, Numbers 4-5, April/May 2007 , pp. 1505-1511(7)

Publisher: American Scientific Publishers

Ab initio DFT simulation of ideal shear deformation of SiC polytypes

Authors: Umeno, Y.; Kinoshita, Y.; Kitamura, T.

Source: Modelling and Simulation in Materials Science and Engineering, Volume 15, Number 2, March 2007 , pp. 27-37(11)

Publisher: Institute of Physics Publishing

Molecular Dynamics Simulation for Ultrafine Machining

Authors: Huang, Z. G.; Guo, Z. N.; Chen, X.; Yue, T. M.; To, S.; Lee, W. B.

Source: Materials and Manufacturing Processes, Volume 21, Number 4, May 2006 , pp. 393-397(5)

Publisher: Taylor and Francis Ltd

The effect of hydrogen on the electronic and bonding properties of amorphous carbon

Authors: Titantah, J.T.; Lamoen, D.; Neyts, E.; Bogaerts, A.

Source: Journal of Physics: Condensed Matter, Volume 18, Number 48, 6 December 2006 , pp. 10803-10815(13)

Publisher: Institute of Physics Publishing

MD simulations of polymeric C 60 fullerene layers/chain under tension

Author: Shen, H.

Source: Molecular Simulation, Volume 32, Number 5, April 2006 , pp. 385-390(6)

Publisher: Taylor and Francis Ltd

Molecular Dynamics Simulation of Elastic Properties of Silicon Nanocantilevers

Authors: Kim, J.; Park, S.; Park, J.; Lee, J.

Source: Microscale Thermophysical Engineering, Volume 10, Number 1, January-March 2006 , pp. 55-65(11)

Publisher: Taylor and Francis Ltd

Multiscale simulation from atomistic to continuum – coupling molecular dynamics (MD) with the material point method (MPM)

Authors: Lu, H.; Daphalapurkar, N. P.; Wang, B.; Roy, S.; Komanduri, R.

Source: Philosophical Magazine, Volume 86, Number 20, 11 July 2006 , pp. 2971-2994(24)

Publisher: Taylor and Francis Ltd

Molecular dynamics simulation on the out-of plane thermal conductivity of single-crystal silicon thin films

Authors: Wu, Guoqiang; Sun, Zhaowei; Kong, Xianren; Zhao, Dan

Source: Aircraft Engineering and Aerospace Technology: An International Journal, Volume 77, Number 6, 2005 , pp. 475-477(3)

Publisher: Emerald Group Publishing Limited

Atomistic Simulations of J-Integral in 2D Graphene Nanosystems

Authors: Jin, Y.; Yuan, F.G.

Source: Journal of Nanoscience and Nanotechnology, Volume 5, Number 12, December 2005 , pp. 2099-2107(9)

Publisher: American Scientific Publishers