Solid, liquid, and interfacial properties of TiAl alloys: parameterization of a new modified embedded atom method model

2018 ◽  
Vol 30 (7) ◽  
pp. 075002 ◽  
Author(s):  
Shoutian Sun ◽  
Bala Ramu Ramachandran ◽  
Collin D Wick
Keyword(s):  
Interfacial Properties ◽  
Embedded Atom Method ◽  
Tial Alloys ◽  
Embedded Atom ◽  
Modified Embedded Atom Method ◽  
Solid Liquid ◽  
Method Model

A Comparison of Semiconductor Models for the Study of Liquid Phase Epitaxy

1990 ◽  
Vol 205 ◽  
Author(s):  
Stephen J. Cook ◽  
Paulette Clancy
Keyword(s):  
Melting Point ◽  
Liquid Phase ◽  
Density Ratio ◽  
Embedded Atom Method ◽  
Liquid Density ◽  
Liquid Interfaces ◽  
Embedded Atom ◽  
Liquid Phases ◽  
Modified Embedded Atom Method ◽  
Solid Liquid

AbstractThe phase behavior of silicon is studied using the Modified Embedded Atom Method (MEAM) proposed by Baskes, Nelson and Wright. We find this model to quantitatively reproduce aspects of both the solid and liquid phases with an accuracy comparable to the widely-used Stillinger-Weber (SW) potential, thus providing an opportunity to examine the consistency of results obtained previously using the SW model. Although the models are very different, they both produce solid-liquid interfaces on both silicon (100) and (111) which have very similar morphologies. We find that the MEAM predicts the melting point of silicon to be 1445K, or 14% lower than the experimental value. The model also predicts the heat of melting to be 34.9 kJ/mol, 45% lower than the experimental value of 50.6 kJ/mol, and a liquid density which is 5.4% larger than that of the solid at the melting point, which is the density ratio found by experiment. The liquid density is found to be too low with respect to experiment. We also suggest a correction which might be applied to the MEAM model to improve its description of the liquid phase.

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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