scholarly journals Highly optimized embedded-atom-method potentials for fourteen fcc metals

2011 ◽  
Vol 83 (13) ◽  
Author(s):  
H. W. Sheng ◽  
M. J. Kramer ◽  
A. Cadien ◽  
T. Fujita ◽  
M. W. Chen
2021 ◽  
Vol 103 (9) ◽  
Author(s):  
Zachary H. Aitken ◽  
Viacheslav Sorkin ◽  
Zhi Gen Yu ◽  
Shuai Chen ◽  
Zhaoxuan Wu ◽  
...  

1986 ◽  
Vol 33 (12) ◽  
pp. 7983-7991 ◽  
Author(s):  
S. M. Foiles ◽  
M. I. Baskes ◽  
M. S. Daw

1995 ◽  
Vol 96 (10) ◽  
pp. 729-734 ◽  
Author(s):  
Xiliang Nie ◽  
Renhui Wang ◽  
Yiying Ye ◽  
Yumei Zhou ◽  
Dingsheng Wang

1992 ◽  
Vol 7 (3) ◽  
pp. 639-652 ◽  
Author(s):  
A.M. Guellil ◽  
J.B. Adams

Johnson and Oh have recently developed Embedded Atom Method potentials for bcc metals (Na, Li, K, V, Nb, Ta, Mo, W, Fe). The predictive power of these potentials was first tested by calculating vacancy formation and migration energies. Due to the results of these calculations, some of the functions were slightly modified to improve their fit to vacancy properties. The modified potentials were then used to calculate phonon dispersion curves, surface relaxations, surface energies, and thermal expansion. In addition, Johnson's alloy model, which works well for fcc metals, was applied to the bcc metals to predict dilute heats of solution.


2006 ◽  
Vol 55 (1) ◽  
pp. 393
Author(s):  
Zhang Jian-Min ◽  
Wu Xi-Jun ◽  
Huang Yu-Hong ◽  
Xu Ke-Wei

1997 ◽  
Vol 08 (06) ◽  
pp. 1217-1221 ◽  
Author(s):  
J. I. Akhter ◽  
K. Yaldram

Molecular dynamics studies of the temperature dependence of self diffusion coefficient of palladium has been carried out using the many body potential generated by the Embedded Atom Method of Daw and Baskes. These values as well as the results for activation energy are compared with similar results for other fcc metals.


2018 ◽  
Vol 150 ◽  
pp. 418-423 ◽  
Author(s):  
Xianbao Duan ◽  
Beiling He ◽  
Mingming Guo ◽  
Zhitian Liu ◽  
Yanwei Wen ◽  
...  

2012 ◽  
Vol 424-425 ◽  
pp. 718-722
Author(s):  
Hak Son Jin ◽  
An Du

A stiffening function and a truncated function of the pair-potential of the modified analytical embedded atom method (MAEAM) were suggested for fcc metals. Through fitting the mono-vacancy migration energy, the elastic constants, the cohesive energy and an equilibrium condition of fcc metal crystals correctly, we determined the stiffening parameter and changed the pair-potential parameters and the modification term parameter of the multi-body potential for fcc metals: Ag, Al, Au, Cu, Ir, Ni, Pd, Pt, and Rh. The model calculations fully demonstrate the phonon dispersion curves and the unrelaxed mono-vacancy properties of the nine fcc metals.


1991 ◽  
Vol 229 ◽  
Author(s):  
Paul Shewmon ◽  
Suliman Dregia

AbstractRelative orientations which correspond to minimum energy can be found by particle rotation methods, both for particles on free surface and particles inside a solid. For common fcc metals (Ni,Ag,Cu,Ag) the minimum energy orientations predicted by Embedded Atom Method calculations correspond well with experimental observations. Epitaxial studies of growth on (001)Cu and (111)Cu show the observed orientation relationships of vapor deposited Ag and Au are consistent with EAM calculations and the limited particle rotation experiments available.


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