A Molecular Dynamics Study of Solid Gallium Using a Modified Embedded Atom Model

2006 ◽  
Author(s):  
Frank J. Cherne
Keyword(s):  
Molecular Dynamics ◽  
Atom Model ◽  
Embedded Atom

Peridynamic State-Based Models and the Embedded-Atom Model

2014 ◽  
Vol 15 (1) ◽  
pp. 179-205 ◽  
Author(s):  
Pablo Seleson ◽  
Michael L. Parks ◽  
Max Gunzburger
Keyword(s):  
Molecular Dynamics ◽  
The State ◽  
Computational Experiments ◽  
Continuum Models ◽  
Nonlocal Continuum ◽  
Material Models ◽  
Atom Model ◽  
Embedded Atom ◽  
Dynamics Models

AbstractWe investigate connections between nonlocal continuum models and molecular dynamics. A continuous upscaling of molecular dynamics models of the form of the embedded-atom model is presented, providing means for simulating molecular dynamics systems at greatly reduced cost. Results are presented for structured and structureless material models, supported by computational experiments. The nonlocal continuum models are shown to be instances of the state-based peridynamics theory. Connections relating multibody peridynamic models and upscaled nonlocal continuum models are derived.

Molecular dynamics calculation of surface tension of liquid metals using the embedded atom model

Calphad ◽  
2010 ◽  
Vol 34 (1) ◽  
pp. 45-50 ◽  
Author(s):  
D.K. Belashchenko ◽  
N.E. Kravchunovskaya ◽  
O. Ostrovski
Keyword(s):  
Molecular Dynamics ◽  
Surface Tension ◽  
Liquid Metals ◽  
Atom Model ◽  
Embedded Atom ◽  
Dynamics Calculation
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