scholarly journals Interatomic potential, phonon spectrum and molecular-dynamics simulation up to 1300K and 10 GPa in YBa2Cu3O7\t-\gd for δ=0 to 1for δ=0 to 1

1991 ◽  
Vol 14 (4) ◽  
pp. 963-966
Author(s):  
S L Chaplot
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Phonon Spectrum ◽  
Interatomic Potential ◽  
Dynamics Simulation

scholarly journals Crystallization of the P3Sn4 Phase upon Cooling P2Sn5 Liquid by Molecular Dynamics Simulation Using a Machine Learning Interatomic Potential

2021 ◽  
Vol 125 (5) ◽  
pp. 3127-3133
Author(s):  
Chao Zhang ◽  
Yang Sun ◽  
Hai-Di Wang ◽  
Feng Zhang ◽  
Tong-Qi Wen ◽  
...  
Keyword(s):  
Machine Learning ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Interatomic Potential ◽  
Dynamics Simulation

Interatomic potential for Pd and molecular-dynamics simulation of diffusion in Pd/Pd(111) system

2003 ◽  
Vol 428 (1-2) ◽  
pp. 40-46 ◽  
Author(s):  
N.I Papanicolaou ◽  
D.A Papaconstantopoulos
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Interatomic Potential ◽  
Dynamics Simulation

Molecular Dynamics Simulation of Chemo-Mechanical Grinding (CMG) by Controlling Interatomic Potential Parameters to Imitate Chemical Reaction

2009 ◽  
Vol 76-78 ◽  
pp. 82-87
Author(s):  
Jun Shimizu ◽  
Li Bo Zhou ◽  
Takeyuki Yamamoto
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Model ◽  
Interatomic Potential ◽  
Dynamics Simulation ◽  
Mechanical Grinding ◽  
Abrasive Wheel ◽  
Abrasive Grain ◽  
Surface Damages ◽  
Potential Parameters

This paper reports a molecular dynamics simulation of chemo-mechanical grinding (CMG) of silicon wafer by controlling the interatomic potential parameters to imitate the chemo-mechanical or mechano-chemical reactions between an abrasive grain and a Si wafer. Some comparisons between diamond grinding and CMG were made by using the proposed simulation model. From the simulation results, reductions of surface damages, wears of abrasive grain and scratching forces in CMG were confirmed to be same as observed in actual experiments by a CeO2 abrasive wheel, and the availability of proposed simulation model was verified.

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