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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