scholarly journals Molecular dynamics simulations of high energy cascade in ordered alloys: Defect production and subcascade division

2016 ◽  
Vol 474 ◽  
pp. 134-142 ◽  
Author(s):  
Jean-Paul Crocombette ◽  
Laurent Van Brutzel ◽  
David Simeone ◽  
Laurence Luneville
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
High Energy ◽  
Energy Cascade ◽  
Defect Production ◽  
Ordered Alloys ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Hot Electrons and Lattice Relaxation in Realistic Cascade Volumes

1992 ◽  
Vol 278 ◽  
Author(s):  
A.M. Mazzone
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Classical Mechanics ◽  
Lattice Relaxation ◽  
Simulation Method ◽  
High Energy ◽  
Hot Electrons ◽  
Dynamics Simulation ◽  
Dynamics Simulations

AbstractThis work presents a molecular dynamics simulation method designed to describe the processes of electron and lattice relaxation taking place in typical cascade volumes formed by high-energy implants. The simulation method is based on classical mechanics and includes the motions of electrons and nuclei. The results are in agreement with experiments.

Molecular Dynamics Simulations of Hypervelocity Buckminsterfullerene Collisions

1994 ◽  
Vol 359 ◽  
Author(s):  
D.H. Robertson ◽  
D.W. Brenner ◽  
C.T. White
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Collision Energy ◽  
Center Of Mass ◽  
High Energy ◽  
Translational Energy ◽  
Inelastic Behavior ◽  
Fusion Probability ◽  
High Energy Collisions ◽  
Dynamics Simulations

ABSTRACTMolecular dynamics simulations of high-energy collisions between various combinations of C60 and C70 fullerenes were performed to calculate the threshold for molecular fusion of these clusters as a function of the center-of-mass collision energy. For collision energies below 90 eV, only non-reacting collisions occurred with no observation of any fusion. However, at higher collision energies molecular fusion of the colliding clusters was observed with the fusion probability approaching 1 by 160 eV collision energy. The non-fusing, rebounding collisions showed deeply inelastic behavior with the loss of translational energy to internal energy varying from 50 to 70 percent.

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