Molecular dynamics simulations of steady-state crystal growth and homogeneous nucleation in polyethylene-like polymer

2008 ◽  
Vol 129 (18) ◽  
pp. 184903 ◽  
Author(s):  
Takashi Yamamoto
Keyword(s):  
Molecular Dynamics ◽  
Crystal Growth ◽  
Steady State ◽  
Molecular Dynamics Simulations ◽  
Homogeneous Nucleation ◽  
Dynamics Simulations

Molecular-Dynamics Simulations of Recrystallization Processes in Silicon: Nucleation and Crystal Growth in the Solid-Phase and Melt

2019 ◽  
Vol 3 (8) ◽  
pp. 207-213
Author(s):  
Teruaki Motooka ◽  
Shinji Munetoh ◽  
Ryuzo Kishikawa ◽  
Takahide Kuranaga ◽  
Tomohiko Ogata ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Crystal Growth ◽  
Molecular Dynamics Simulations ◽  
Solid Phase ◽  
Dynamics Simulations

Molecular dynamics simulation of the solidification process of multicrystalline silicon from homogeneous nucleation to grain coarsening

CrystEngComm ◽  
2018 ◽  
Vol 20 (25) ◽  
pp. 3569-3580 ◽  
Author(s):  
Xiaoxiao Sui ◽  
Yongjian Cheng ◽  
Naigen Zhou ◽  
Binbing Tang ◽  
Lang Zhou
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Homogeneous Nucleation ◽  
Solidification Process ◽  
Dynamics Simulation ◽  
Multicrystalline Silicon ◽  
Solidification Processes ◽  
Dynamics Simulations ◽  
Weber Potential

Based on the Stillinger–Weber potential, molecular dynamics simulations of the solidification processes of multicrystalline silicon were carried out.

Modeling the crystal growth of cubic silicon carbide by molecular dynamics simulations

2002 ◽  
Vol 742 ◽  
Author(s):  
Nicoletta Resta ◽  
Christopher Kohler ◽  
Hans-Rainer Trebin
Keyword(s):  
Molecular Dynamics ◽  
Crystal Growth ◽  
Molecular Dynamics Simulations ◽  
Crystallization Process ◽  
Amorphous Material ◽  
Thick Layer ◽  
Atomic Interactions ◽  
Dynamics Simulations ◽  
Amorphous Sic ◽  
Cubic Silicon Carbide

ABSTRACTThe crystal growth of a seed of cubic SiC into the amorphous material has been investigated by means of classical molecular dynamics simulations. The crystallization process was studied with a set of supercells containing up to 2000 atoms, initially consisting of a 12 Å thick layer of crystalline SiC and a 18 Å thick layer of amorphous SiC at high pressure. The dynamic evolution of crystallization was then followed for several nanoseconds with the simulated annealing technique performed at constant pressure and temperature. The atomic interactions were described by the Tersoff potential. We studied the dependence of the growth process on the crystallographic orientation of the crystalline/amorphous interface by considering three different crystal planes, namely the {100}, {110}, and {111} planes. Within the pressure-temperature range considered in our simulations, we observed the crystal growth only for the {110} and the {111} orientations, but not for the {100} ones. The atomistic details of the growth mechanism are described and discussed.

Site Balance Models in Plasma Processing: A Comparison to Molecular Dynamics Simulations

1995 ◽  
Vol 389 ◽  
Author(s):  
M.E. Barone ◽  
D.B. Graves
Keyword(s):  
Molecular Dynamics ◽  
Steady State ◽  
Molecular Dynamics Simulations ◽  
Phenomenological Models ◽  
Silicon Surface ◽  
Plasma Processing ◽  
Md Simulations ◽  
Balance Model ◽  
Dynamics Simulations ◽  
A Site

ABSTRACTMolecular dynamics (MD) simulations were conducted of Cl+ impact (at 10, 25 and 50 eV) of an initially bare silicon surface, leading to steady state coverage of Cl in a mixed chlorosilyl layer. Our main goal in this study was to compare the MD predictions to models of ion-assisted etching involving the concept of a site balance. For the case of 50 eV Cl+ etching silicon, the coverage vs. exposure results in the simulation could be reasonably well reproduced in a site balance model, but only if the correct parameters in the model were taken from the simulation. The results of the comparison suggest that MD simulations can be helpful in the development of physically sound phenomenological models of ion-assisted etching.

Steady-State Statistical Sputtering Model for Extracting Depth Profiles from Molecular Dynamics Simulations of Dynamic SIMS

2011 ◽  
Vol 116 (1) ◽  
pp. 1042-1051 ◽  
Author(s):  
Robert J. Paruch ◽  
Zbigniew Postawa ◽  
Andreas Wucher ◽  
Barbara J. Garrison
Keyword(s):  
Molecular Dynamics ◽  
Steady State ◽  
Molecular Dynamics Simulations ◽  
Depth Profiles ◽  
Dynamics Simulations
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