Results 131 to 140 of about 1,719 (142)

Comparison of empirical interatomic potentials for iron applied to radiation damage studies [PDF]

Journal of Nuclear Materials, 2010
The performance of four recent semi-empirical interatomic potentials for iron, developed or used within the FP6 Perfect Project, is evaluated by comparing them between themselves and with available experimental or, more often, density functional theory ...
L Malerba, N Anento, C Björkas
exaly   +2 more sources

A modified embedded-atom method interatomic potential for indium [PDF]

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, 2008
A semi-empirical interatomic potential for indium has been developed based on the MEAM (modified embedded-atom method) formalism. The potential describes various fundamental physical properties (cohesive energy, lattice parameters, elastic constants ...
Young-Han Shin, Byeong-Joo Lee
exaly   +2 more sources

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Application of a Simple Semi-empirical Interatomic Potential Model to Phonon Density of States of Fe ₃ Al

Chinese Physics Letters, 1999
We proposed a simple analytical interatomic potential model by extending the framework of embedded-atom model to include the non-central three-body potentials. This model can be easily applied to treat transition metals and their alloys based on the very recently developed lattice inversion method.
Shao-jun Liu, Jun Cai, Su-qing Duan, Ben-kun Ma   +3 more
openaire   +1 more source

Development of a semi-empirical interatomic potential appropriate for the radiation defects in V-Ti-Ta-Nb high-entropy alloy

Journal of Physics Condensed Matter, 2023
Yangchun Chen, Xichuan Liao, Yeping Lin   +2 more
exaly  

Bayesian, frequentist, and information geometric approaches to parametric uncertainty quantification of classical empirical interatomic potentials

Journal of Chemical Physics, 2022
Yonatan Kurniawan, Cody L Petrie, Mark K Transtrum   +2 more
exaly  

Development of a semi-empirical interatomic potential for dislocation and cascade behaviors in Zircaloy-4

Vacuum
Xiaoliang Zhang, Yanan Zhu, Xiaohan Liu, Zhongcun Chen, Peng Wang, Yang Li   +5 more
openaire   +1 more source

Development of suitable interatomic potentials for simulation of liquid and amorphous Cu–Zr alloys

Philosophical Magazine, 2009
M I Mendelev, M J Kramer, D J Sordelet
exaly  

Multiproperty empirical interatomic potentials for ArXe and KrXe

Journal of Chemical Physics, 1982
Lee Y T
exaly  

Development of an empirical interatomic potential for the Ag–Ti system

Nuclear Instruments & Methods in Physics Research B, 2017
Ying Zhou, Roger Smith, Adam L Lloyd
exaly  

Numerical calculation with empirical interatomic potential for formation mechanism of CuAu-I type ordered structure in InGaAs/(110)InP

Applied Surface Science, 2000
Yoshihiro Kangawa, N Kuwano
exaly