Application of the embedded-atom method to liquid transition metals

1985 ◽  
Vol 32 (6) ◽  
pp. 3409-3415 ◽  
Author(s):  
S. M. Foiles
Keyword(s):  
Transition Metals ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Liquid Transition

APPLICATION OF THE EAM POTENTIALS TO THE STUDY OF DIFFUSION COEFFICIENTS OF LIQUID NOBLE AND TRANSITION METALS

2002 ◽  
Vol 16 (25) ◽  
pp. 3837-3846 ◽  
Author(s):  
A. Z. ZIAUDDIN AHMED ◽  
G. M. BHUIYAN
Keyword(s):  
Experimental Data ◽  
Solid State ◽  
Diffusion Coefficients ◽  
Noble Metals ◽  
Packing Fraction ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Atomic Transport ◽  
Liquid Transition ◽  
Variational Calculations

The embedded atom method (EAM) potentials, originally proposed for solid state calculations, have been applied to investigate the atomic transport property namely the diffusion coefficients of liquid Ni, Cu, Ag and Au. Two different liquid state theories, specifically the linearized Weeks–Chandler–Andersen (LWCA) theory and the Gibbs–Boguliubov variational method (GB) are used to evaluate the packing fraction near melting temperature. Calculated values for the diffusion coefficients are compared with the available experimental data. Results of variational calculations are found to be better in agreement. Results of calculations also allow us to conclude that the concerning EAM potentials are transferable to the study of atomic transport properties of liquid transition and noble metals.

Development of a modified embedded atom method for bcc transition metals

2003 ◽  
Vol 15 (50) ◽  
pp. 8917-8926 ◽  
Author(s):  
Xiaoying Yuan ◽  
Kunio Takahashi ◽  
Yifang Ouyang ◽  
Tadao Onzawa
Keyword(s):  
Transition Metals ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Modified Embedded Atom Method

Lattice inversion modified embedded atom method for bcc transition metals

2015 ◽  
Vol 98 ◽  
pp. 417-423 ◽  
Author(s):  
Xianbao Duan ◽  
Bing Zhou ◽  
Yanwei Wen ◽  
Rong Chen ◽  
Huamin Zhou ◽  
...  
Keyword(s):  
Transition Metals ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Modified Embedded Atom Method

Atomic simulation of the vacancies in BCC metals with MAEAM

Open Physics ◽  
2006 ◽  
Vol 4 (4) ◽  
Author(s):  
Jian-Min Zhang ◽  
Yan-Ni Wen ◽  
Ke-Wei Xu
Keyword(s):  
Binding Energy ◽  
Transition Metals ◽  
Alkali Metals ◽  
Formation Energy ◽  
Nearest Neighbor ◽  
Embedded Atom Method ◽  
Atomic Simulation ◽  
Bcc Metals ◽  
Embedded Atom ◽  
Favorable Configuration

AbstractThe formation energy of the mono-vacancy and both the formation energy and binding energy of the di-and tri-vacancy in BCC alkali metals and transition metals have been calculated by using the modified analytical embedded-atom method (MAEAM). The formation energy of each type of configuration of the vacancies in the alkali metals is much lower than that in the transition metals. From minimum of the formation energy or maximum of the binding energy, the favorable configuration of the di-vacancy and tri-vacancy respectively is the first-nearest-neighbor (FN) or second-nearest-neighbor (SN) di-vacancy and the [112] tri-vacancy constructed by two first-and one second-nearest-neighbor vacancies. It is indicated that there is a concentration tendency for vacancies in BCC metals.

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