scholarly journals Calculation of friction coefficient of a solid-liquid interface via a non-equilibrium molecular dynamics simulation

1999 ◽  
Vol 22 (5) ◽  
pp. 873-876 ◽  
Author(s):  
Sundaram Balasubramanian ◽  
Christopher J Mundy
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Friction Coefficient ◽  
Liquid Interface ◽  
Dynamics Simulation ◽  
Non Equilibrium Molecular Dynamics ◽  
Solid Liquid Interface ◽  
Solid Liquid ◽  
Non Equilibrium

Non-Equilibrium Molecular Dynamics Simulation of the Rapid Solidification of Metals

1989 ◽  
Vol 159 ◽  
Author(s):  
Cliff F. Richardson ◽  
Paulette Clancy
Keyword(s):  
Molecular Dynamics ◽  
Picosecond Laser ◽  
Simulation Method ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Non Equilibrium Molecular Dynamics ◽  
Solid Liquid Interface ◽  
Solid Liquid ◽  
Non Equilibrium

ABSTRACTThe ultra-rapid melting and subsequent resolidification of Embedded Atom Method models of the fcc metals copper and gold are followed using a Non-Equilibrium Molecular Dynamics computer simulation method. Results for the resolidification of an exposed (100) face of copper at room temperature are in good agreement with recent experiments using a picosecond laser. At T = 0.5 Tm, the morphology of the solid/liquid interface is shown to be similar to a Lennard-Jones model. The morphology of the crystal-vapor interface at 92% of Tm shows a significant disordering of the topmost layers. Difficulties with the EAM model for gold are observed. Comparison of the Baskes et al. and Oh and Johnson embedding functions are discussed.

scholarly journals Molecular dynamics simulation of the solid-liquid interface migration in terbium

2018 ◽  
Vol 148 (21) ◽  
pp. 214705 ◽  
Author(s):  
M. I. Mendelev ◽  
F. Zhang ◽  
H. Song ◽  
Y. Sun ◽  
C. Z. Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Liquid Interface ◽  
Dynamics Simulation ◽  
Interface Migration ◽  
Solid Liquid Interface ◽  
Solid Liquid

scholarly journals Transport diffusivities of fluids in nanopores by non-equilibrium molecular dynamics simulation

2012 ◽  
Vol 38 (7) ◽  
pp. 540-553 ◽  
Author(s):  
Hendrik Frentrup ◽  
Carlos Avendaño ◽  
Martin Horsch ◽  
Alaaeldin Salih ◽  
Erich A. Müller
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Non Equilibrium Molecular Dynamics ◽  
Non Equilibrium
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