MD_Part 1 - Direct MD simulations is nanostructured...

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2 Direct MD simulations is nanostructured materials Laser melting of thin Au films: The kinetics of melting are related to time-resolved electron diffraction measurements. Lin, Bringa, Leveugle, Zhigilei, J. Phys. Chem. C 114 , 5686 (2010) T = 0.94 T m
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Phys. Rev. B 71 , 165417 (2005); J. Phys. Chem. C 114 , 5513 (2010); PRL 104 , 215902 (2010) mesoscopic models Bridging the gap: The need for mesoscopic models CNT materials and CNT-polymer matrix nanocomposites dislocation structures J. Eng. Mater. Technol. 131 , 041209 (2009)
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University of Virginia, MSE 4270/6270: Introduction to Atomistic Simulations, Leonid Zhigilei First MD simulations The first simulation using the MD method was reported in 1957 by Adler and Wainwright [ Phase transition for a hard sphere system , J. Chem. Phys. 27 , 1208-1209, 1957]. They investigated a solid-fluid transition in a system composed of hard spheres interacting by instantaneous collisions. For a system of 500 particles, simulation of 500 inter-particle collisions took ~ an hour on IBM 704 computer.
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University of Virginia, MSE 4270/6270: Introduction to Atomistic Simulations, Leonid Zhigilei
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