Modified embedded-atom method interatomic potential for the Fe–Pt alloy system

2006 ◽  
Vol 21 (1) ◽  
pp. 199-208 ◽  
Author(s):  
Jaesong Kim ◽  
Yangmo Koo ◽  
Byeong-Joo Lee
Keyword(s):  
Interatomic Potential ◽  
Structural Evolution ◽  
Alloy System ◽  
Lattice Parameter ◽  
Experimental Information ◽  
Embedded Atom Method ◽  
Present Calculation ◽  
Embedded Atom ◽  
Pt Alloy ◽  
Modified Embedded Atom Method

A semi-empirical interatomic potential formalism, the modified embedded atom method (MEAM), has been applied to obtain an interatomic potential for the Fe–Pt alloy system, based on the previously developed potentials for pure Fe and Pt. The potential can describe basic physical properties of the alloys (lattice parameter, bulk modulus, stability of individual phases, and order/disorder transformations), in good agreement with experimental information. The procedure for the determination of potential parameter values and comparisons between the present calculation and experimental data or high level calculation are presented. The applicability of the potential to atomistic studies to investigate structural evolution of Fe50Pt50 alloy thin films during post-annealing is also discussed.

Modified embedded-atom method calculation for the Ni–W system

2003 ◽  
Vol 18 (8) ◽  
pp. 1863-1867 ◽  
Author(s):  
Jae-Hyeok Shim ◽  
Sung Il Park ◽  
Young Whan Cho ◽  
Byeong-Joo Lee
Keyword(s):  
Nearest Neighbor ◽  
Interatomic Potential ◽  
Experimental Information ◽  
First Principles Calculation ◽  
Embedded Atom Method ◽  
Lattice Constants ◽  
Embedded Atom ◽  
Modified Embedded Atom Method ◽  
Equilibrium Phases ◽  
Semi Empirical

A semi-empirical interatomic potential of the Ni–W system was developed using a modified embedded-atom method (MEAM) formalism including second-nearest-neighbor interactions. The cross potential was determined by fitting physical properties of tetragonal Ni4W available in the literature. The MEAM potential was used to predict phase stabilities, lattice constants, and bulk moduli of nonequilibrium and equilibrium phases in the Ni–W system. The results were in good agreement with experimental information or first-principles calculation.

scholarly journals An interatomic potential for saturated hydrocarbons based on the modified embedded-atom method

2014 ◽  
Vol 16 (13) ◽  
pp. 6233-6249 ◽  
Author(s):  
S. Nouranian ◽  
M. A. Tschopp ◽  
S. R. Gwaltney ◽  
M. I. Baskes ◽  
M. F. Horstemeyer
Keyword(s):  
Interatomic Potential ◽  
Embedded Atom Method ◽  
Computationally Efficient ◽  
Saturated Hydrocarbons ◽  
Embedded Atom ◽  
Modified Embedded Atom Method

Extension of the computationally efficient modified embedded-atom method to hydrocarbons and polymers.

Modified embedded-atom method interatomic potential for theFe−Cualloy system and cascade simulations on pure Fe andFe−Cualloys

2005 ◽  
Vol 71 (18) ◽  
Author(s):  
Byeong-Joo Lee ◽  
Brian D. Wirth ◽  
Jae-Hyeok Shim ◽  
Junhyun Kwon ◽  
Sang Chul Kwon ◽  
...  
Keyword(s):  
Interatomic Potential ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Modified Embedded Atom Method

A modified embedded atom method interatomic potential for alloy SiGe

2010 ◽  
Vol 493 (1-3) ◽  
pp. 57-60 ◽  
Author(s):  
Gregory Grochola ◽  
Salvy P. Russo ◽  
Ian K. Snook
Keyword(s):  
Interatomic Potential ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Modified Embedded Atom Method

Interatomic Potential for Hydrocarbons on the Basis of the Modified Embedded-Atom Method with Bond Order (MEAM-BO)

2017 ◽  
Vol 121 (7) ◽  
pp. 1502-1524 ◽  
Author(s):  
Sungkwang Mun ◽  
Andrew L. Bowman ◽  
Sasan Nouranian ◽  
Steven R. Gwaltney ◽  
Michael I. Baskes ◽  
...  
Keyword(s):  
Bond Order ◽  
Interatomic Potential ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Modified Embedded Atom Method

Dispersion-Corrected Modified Embedded-Atom Method Bond Order Interatomic Potential for Sulfur

2018 ◽  
Vol 122 (49) ◽  
pp. 9572-9578 ◽  
Author(s):  
Doyl Dickel ◽  
Steven R. Gwaltney ◽  
Sungkwang Mun ◽  
Michael I. Baskes ◽  
Mark F. Horstemeyer
Keyword(s):  
Bond Order ◽  
Interatomic Potential ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Modified Embedded Atom Method
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