scholarly journals Molecular Dynamics Simulation of Cascade Damage in Gold

1996 ◽  
Vol 439 ◽  
Author(s):  
E. Alonso ◽  
M. J. Caturla ◽  
M. Tang ◽  
H. Huang ◽  
T. Diaz de ia Rubia
Keyword(s):  
Molecular Dynamics ◽  
High Pressures ◽  
High Energy ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Energy Cascades ◽  
Modified Embedded Atom Method ◽  
Embedded Atom Method Potential ◽  
Cascade Damage

AbstractHigh-energy cascades have been simulated in gold using molecular dynamics with a modified embedded atom method potential. The results show that both vacancy and interstitial clusters form with high probability as a result of intracascade processes. The formation of clusters has been interpreted in terms of the high pressures generated in the core of the cascade during the early stages. We provide evidence that correlation between interstitial and vacancy clustering exists.

Simulation of Mechanical Response in Nanoparticles

2012 ◽  
Vol 184 ◽  
pp. 301-306 ◽  
Author(s):  
Yoshiaki Kogure ◽  
T. Kosugi ◽  
T. Nozaki
Keyword(s):  
Molecular Dynamics ◽  
Mechanical Response ◽  
The Other ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Spherical Surfaces ◽  
Two Samples ◽  
Amorphous Structures ◽  
Embedded Atom Method Potential

Morphology and mechanical resonse of copper nanoparticles with defects have been simulated by means of molecular dynamics simulation. The embedded atom method potential for copper was used to express the interaction of atoms. Four types of model samples were prepared and about 37,000 atoms were contained in each sample. Two of them are cubic shape with {100} surfaces, in which vacancies or interstitials are introduced. The other two samples are once melted and solidified particles with nearly spherical surfaces. The atomic structure is controlled by cooling rate, and crystalline and amorphous structures are realized. Shear and tetragonal strains are applied to the samples and stress-strain relations for the samples are derived. Mechanical damping and internal friction were evaluated from the free decaying oscillations by releasing static strains.

Simulation of Dislocation Relaxation in FCC Metals

2006 ◽  
Vol 978 ◽  
Author(s):  
Yoshiaki Kogure ◽  
Kei Sakieda ◽  
Toshio Kosugi ◽  
Tadatoshi Nozaki
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Potential Energy ◽  
Edge Dislocation ◽  
Dislocation Motion ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Fcc Metals ◽  
Embedded Atom ◽  
Embedded Atom Method Potential

Abstract Motion of edge dislocation in copper crystals is investigated by means of molecular dynamics simulation. The embedded atom method potential was used in the simulation. Configuration and motion of dislocations are graphically demonstrated in 3-dimentional model. Change of mean potential energy during the dislocation motion is also investigated.

Molecular Dynamics Simulations of High Energy Cascades in Iron

1994 ◽  
Vol 373 ◽  
Author(s):  
Roger E. Stoller
Keyword(s):  
Molecular Dynamics ◽  
Three Dimensional ◽  
High Energy ◽  
Dynamics Simulation ◽  
Method Of Molecular Dynamics ◽  
Energy Cascades ◽  
Iron Based ◽  
The Many ◽  
Property Changes ◽  
Dynamics Simulations

AbstractA series of high-energy, up to 20 keV, displacement cascades in iron have been investigated for times up to 200 ps at 100 K using the method of molecular dynamics simulation. Thesimulations were carried out using the MOLDY code and a modified version of the many-bodyinteratomic potential developed by Finnis and Sinclair. The paper focuses on those results obtained at the highest energies, 10 and 20 keV. The results indicate that the fraction of the Frenkel pairs surviving in-cascade recombination remains fairly high in iron and that the fraction of the surviving point defects that cluster is lower than in materials such as copper. In particular, vacancy clustering appears to be inhibited in iron. Some of the interstitial clusters were observed to exhibit an unexpectedly complex, three-dimensional morphology. The observations are discussed in terms of their relevance to microstructural evolution and mechanical property changes in irradiated iron-based alloys.

scholarly journals Modified embedded atom method potential for Al, Si, Mg, Cu, and Fe alloys

2012 ◽  
Vol 85 (24) ◽  
Author(s):  
B. Jelinek ◽  
S. Groh ◽  
M. F. Horstemeyer ◽  
J. Houze ◽  
S. G. Kim ◽  
...  
Keyword(s):  
Embedded Atom Method ◽  
Embedded Atom ◽  
Modified Embedded Atom Method ◽  
Fe Alloys ◽  
Embedded Atom Method Potential
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