Atomistic modeling of metallic thin films by modified embedded atom method

2017 ◽  
Vol 422 ◽  
pp. 1139-1146 ◽  
Author(s):  
Huali Hao ◽  
Denvid Lau
Keyword(s):  
Thin Films ◽  
Embedded Atom Method ◽  
Metallic Thin Films ◽  
Atomistic Modeling ◽  
Embedded Atom ◽  
Modified Embedded Atom Method

scholarly journals Molecular Dynamics Studies of Thin-Films of Sn On Cu

1997 ◽  
Vol 492 ◽  
Author(s):  
R. Ravelo ◽  
J. Aguilar ◽  
M. I. Baskes
Keyword(s):  
Thin Films ◽  
Molecular Dynamics ◽  
Melting Temperature ◽  
Embedded Atom Method ◽  
Interaction Potentials ◽  
Embedded Atom ◽  
Evolution Dynamics ◽  
Modified Embedded Atom Method ◽  
Experimental Values ◽  
Diffusion Activation

ABSTRACTUsing Molecular Dynamics, the evolution dynamics of Sn on the (111) and (100) surfaces of Cu have been investigated as a function of coverage and temperature. The interaction potentials are described by modified embedded atom method (MEAM) potentials. The calculated diffusion activation energies of Cu in Sn and Sn in Cu agree reasonably well with experimental values. We find that the structure of the overlayer depends on the morphology of the substrate and remains stable up to temperatures of the order of 70% of the melting temperature of the substrate at which diffusion of Sn into the substrate and Cu atoms onto the overlayer is observed.

Computer Simulations of Two-Dimensional Sn-Cu Alloys on (100) and (111) Cu Surfaces

1999 ◽  
Vol 570 ◽  
Author(s):  
Jose F. Aguilar ◽  
R. Ravelo ◽  
M. Baskes
Keyword(s):  
Thin Films ◽  
Computer Simulations ◽  
Embedded Atom Method ◽  
Higher Moments ◽  
Two Dimensional ◽  
Ion Scattering ◽  
Embedded Atom ◽  
Cu Alloys ◽  
Atomic Interactions ◽  
Modified Embedded Atom Method

ABSTRACTWe have performed calculations of Sn deposition on Cu(111) and Cu(100) surfaces. The atomic interactions are described by modified embedded atom method (MEAM) potentials. This is a modification of the embedded atom method (EAM) to include higher moments in the electron density. We find the at low coverages Sn deposited on Cu(111) leads to the formation of a two-dimensional (2D) alloy phase with a p (√3 × √3)-R 30° structure which is stable up to temperatures of 900K. These results are in agreement with ion-scattering experiments of thin films of Sn on Cu(111). For deposition of Sn on Cu(100), a 0.25 monolayer (ML) coverage results in the formation of a stable 2D alloy phase with a p(2 × 2) structure. This result is also in agreement with LEED measurements.

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

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

scholarly journals Structural, elastic, and thermal properties of cementite (Fe3C) calculated using a modified embedded atom method

2014 ◽  
Vol 89 (9) ◽  
Author(s):  
Laalitha S. I. Liyanage ◽  
Seong-Gon Kim ◽  
Jeff Houze ◽  
Sungho Kim ◽  
Mark A. Tschopp ◽  
...  
Keyword(s):  
Thermal Properties ◽  
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
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