Anomalous Behavior of Gear¡?s Predictor-corrector Algorithm in a Molecular Dynamics Simulation of Amorphous Silicon

2010 ◽  
Vol 57 (5) ◽  
pp. 1153-1157
Author(s):  
Byeong June Min
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Amorphous Silicon ◽  
Anomalous Behavior ◽  
Dynamics Simulation ◽  
Predictor Corrector

Thermal expansion and heat capacities of AgBr and AgCl at solid and liquid phases from molecular dynamics simulation

2015 ◽  
Vol 29 (14) ◽  
pp. 1550091 ◽  
Author(s):  
Ü. Akdere
Keyword(s):  
Molecular Dynamics ◽  
Thermal Expansion ◽  
Molecular Dynamics Simulation ◽  
Silver Chloride ◽  
Linear Thermal Expansion ◽  
Anomalous Behavior ◽  
Heat Capacities ◽  
Constant Volume ◽  
Dynamics Simulation ◽  
Liquid Phases

Classical molecular dynamics simulation calculations of silver bromide, AgBr, and silver chloride, AgCl. in constant volume–energy (NVE) and constant pressure–temperature (NPT) ensembles have been performed. The temperature dependence of linear thermal expansion and molar heat capacities at constant volume and pressure have been presented at solid and liquid phases. The anomalous behavior of these properties about 200 K below the melting temperatures has been analyzed within the frame of the onset of the transition to the superionic phase.

scholarly journals Molecular-dynamics simulation of thermal conductivity in amorphous silicon

1991 ◽  
Vol 43 (8) ◽  
pp. 6573-6580 ◽  
Author(s):  
Young Hee Lee ◽  
R. Biswas ◽  
C. M. Soukoulis ◽  
C. Z. Wang ◽  
C. T. Chan ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Amorphous Silicon ◽  
Dynamics Simulation

Dose effects on amorphous silicon sputtering by argon ions: A molecular dynamics simulation

1997 ◽  
Vol 81 (3) ◽  
pp. 1488-1494 ◽  
Author(s):  
Luis A. Marqués ◽  
José E. Rubio ◽  
Martı́n Jaraı́z ◽  
Luis A. Bailón ◽  
Juan J. Barbolla
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Amorphous Silicon ◽  
Dynamics Simulation ◽  
Dose Effects ◽  
Argon Ions
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