Simple analytical embedded-atom-potential model including a long-range force for fcc metals and their alloys

1996 ◽  
Vol 54 (12) ◽  
pp. 8398-8410 ◽  
Author(s):  
J. Cai ◽  
Y. Y. Ye
Keyword(s):  
Long Range ◽  
Potential Model ◽  
Fcc Metals ◽  
Embedded Atom ◽  
Atom Potential ◽  
Range Force

Efficient Analytical Interatomic Potential for Metal

2008 ◽  
Author(s):  
Young Ho Park ◽  
Iyad Hijazi
Keyword(s):  
Formation Energy ◽  
Interatomic Potential ◽  
Optimization Technique ◽  
Lattice Parameter ◽  
Embedded Atom ◽  
Predicted Values ◽  
Potential Parameters ◽  
Atom Potential ◽  
Range Force ◽  
Good Agreement

A simple empirical embedded-atom potential that includes a long range force is developed for fcc metals. The potential parameters of this model are determined by fitting lattice constant, three elastic constants, cohesive energy, and vacancy formation energy using an optimization technique. Parameters for Cu, Ag, Au, Al, Ni, Pd, Pt have been obtained. The obtained parameters are used to calculate bulk modulus, divacancy formation energy, and melting point. The predicted values are in good agreement with experimental results. We also find that the predicted total energy as a function of lattice parameter is in good agreement with the equation of state of Rose et al.

Simulation of Surface Diffusion Using Embedded Atom Potentials in FCC Metals

1996 ◽  
Vol 440 ◽  
Author(s):  
Jun-Ichiro Takano ◽  
Masao Doyama ◽  
Yoshiaki Kogure
Keyword(s):  
Molecular Dynamics ◽  
Binding Energy ◽  
Surface Diffusion ◽  
Binding Energies ◽  
Fcc Metals ◽  
Embedded Atom ◽  
Gold Silver ◽  
Copper Adatoms ◽  
Atom Potential ◽  
Dynamics Method

AbstractThe binding energies of gold, silver and copper adatoms and their clusters to each (111) surface have been calculated. The binding energy EN of an N-adatom cluster can be roughly written as EN=3NE1+mE2, where 3E1, is the binding energy of a single adatom to the (111) surface and m is the number of bonds within the cluster and E2 is the binding energy of the bond within the cluster. It was found that E1=0.95eV, E2=0.42–0.49eV for gold, E1=0.62eV, E2=0.38-0.44eV for silver and E1=0.81eV, E2=0.43–0.49eV for copper (by use of a newly determined N-body embedded atom potential). The activation energies of motion of these adatom clusters on each (111) surfaces have been calculated by use of a newly determined N-body embedded atom potential and molecular dynamics method.

Modified embedded-atom method potentials for the plasticity and fracture behaviors of unary fcc metals

2021 ◽  
Vol 103 (9) ◽  
Author(s):  
Zachary H. Aitken ◽  
Viacheslav Sorkin ◽  
Zhi Gen Yu ◽  
Shuai Chen ◽  
Zhaoxuan Wu ◽  
...  
Keyword(s):  
Embedded Atom Method ◽  
Fcc Metals ◽  
Embedded Atom ◽  
Fracture Behaviors ◽  
Modified Embedded Atom Method

KINETIC EQUATION FOR A GAS WITH LONG-RANGE ATTRACTION

1967 ◽  
Vol 45 (11) ◽  
pp. 3555-3567 ◽  
Author(s):  
R. A. Elliott ◽  
Luis de Sobrino
Keyword(s):  
Kinetic Equation ◽  
Long Range ◽  
Short Range ◽  
Kinetic Equations ◽  
Perturbation Expansion ◽  
Interparticle Distance ◽  
Range Interaction ◽  
Short Range Repulsion ◽  
Self Consistent Field ◽  
Range Force

A classical gas whose particles interact through a weak long-range attraction and a strong short-range repulsion is studied. The Liouville equation is solved as an infinite-order perturbation expansion. The terms in this series are classified by Prigogine-type diagrams according to their order in the ratio of the range of the interaction to the average interparticle distance. It is shown that, provided the range of the short-range force is much less than the average interparticle distance which, in turn, is much less than the range of the long-range force, the terms can be grouped into two classes. The one class, represented by chain diagrams, constitutes the significant contributions of the short-range interaction; the other, represented by ring diagrams, makes up, apart from a self-consistent field term, the significant contributions from the long-range force. These contributions are summed to yield a kinetic equation. The orders of magnitude of the terms in this equation are compared for various ranges of the parameters of the system. Retaining only the dominant terms then produces a set of eight kinetic equations, each of which is valid for a definite range of the parameters of the system.

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