Core and Surface Properties of Bcc. Clusters of SeF6 and Dynamics of Homogeneous Nucleation to Monoclinic Phase. A Molecular Dynamics Study

1995 ◽  
Vol 99 (26) ◽  
pp. 10446-10453 ◽  
Author(s):  
Lawrence S. Bartell ◽  
Shimin Xu
Keyword(s):  
Molecular Dynamics ◽  
Surface Properties ◽  
Homogeneous Nucleation ◽  
Monoclinic Phase

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.

Molecular dynamics simulation of homogeneous nucleation of supersaturated potassium chloride (KCl) in aqueous solutions

CrystEngComm ◽  
2019 ◽  
Vol 21 (48) ◽  
pp. 7507-7518 ◽  
Author(s):  
Soroush Ahmadi ◽  
Yuanyi Wu ◽  
Sohrab Rohani
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulation ◽  
Aqueous Solutions ◽  
Potassium Chloride ◽  
Homogeneous Nucleation ◽  
Md Simulation ◽  
Crystal Nucleation ◽  
Dynamics Simulation

Molecular dynamics (MD) simulation is used to investigate the mechanism of crystal nucleation of potassium chloride (KCl) in a supersaturated aqueous solution at 293 K and 1 atm.

Molecular Dynamics Simulation of Vapor Condensation on Nanotubes

2013 ◽  
Author(s):  
Donguk Suh ◽  
Kenji Yasuoka ◽  
Xiao Cheng Zeng
Keyword(s):  
Molecular Dynamics ◽  
Growth Rate ◽  
Significant Variation ◽  
Homogeneous Nucleation ◽  
Vapor Condensation ◽  
Dynamics Simulation ◽  
Condensation Process ◽  
Silicon Nanotubes ◽  
Aspect Ratios ◽  
Different Types

Vapor condensation on silicon nanotubes has been simulated by classical molecular dynamics to understand how the nucleation and condensation process for pores is affected. Two different nanotube aspect ratios were examined to see if there are growth rate changes. The rate for the two different types of nanotubes did not show significant variation meaning that the aspect ratio is an insignificant factor to enhance condensation. This result is consistent with previous nanorod studies. The supersaturated vapor gathered both inside and outside of the tube. Unlike the growth rate, however, the occurrence of homogeneous nucleation was hindered contrary to other basic geometries in previous studies.

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