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Determination Of Modified Embedded Atom Method Parameters For Nickel

M. Baskes
Published 1997 · Materials Science

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The modified embedded atom method (MEAM) is an empirical extension of the embedded atom method that includes angular forces. A detailed study is presented to show the effect of various MEAM parameters on the calculated properties of a model material, nickel. Over 50 physical properties of nickel are calculated for four MEAM potentials. It is found that, in general, the predicted material properties are extremely insensitive to the parameter variations examined. In a few cases: interstitial migration; the (110) surface reconstruction; and the coefficient of thermal expansion, significant effects of potential were found. Minor differences were also found for the vacancy migration energy, the interstitial formation energy, and the stability of the b.c.c. structure. These results point out the appropriate experimental measurements or first principles calculations that need to be performed to obtain a reliable MEAM parameter set. This work results in a MEAM potential that reproduces all of the experimental data examined.
This paper references
MS 0899 Technical Library MS 9021 Technical Communications Dept. 8815/Technical Library, MS0899, 4414 MS 9018 Central Technical Files
Semiempirical modified embedded-atom potentials for silicon and germanium.
Baskes (1989)
California Inst. of Technology Attn: T. Tombrello
Attn: Ralph Wolf Scientific Computation Section Bldg
Westinghouse Savannah
Attn: S. P. Chen Los Alamos
P O Box (1663)
Metastable lattice stabilities for the elements
N. Saunders (1988)
Beyond Pair Potentials in Elemental Transition Metals and Semiconductors
A. Carlsson (1990)
Bldg. 81 Attn: Dr
Theory of Dislocations (2nd ed.)
J. Hirth (1983)
Box 1663 Attn: A. Voter Los Alamos
Materials Science Attn: J. B. Adams Urbana
Dk Copenhagen
Finnis Belfast BT7 1NN Northern Ireland Seagate Technology Attn: Prof. James Angelo 8001 East Bllomington Fwy
Lawrence Berkeley Laboratory Materials and Molecular Res.Div
Thermodynamics and kinetics of phase transformations
J. S. Im (1996)
California Inst. of Technology Attn: W. H. Weinberg
Surface free energies of solid metals: Estimation from liquid surface tension measurements
W. Tyson (1977)
Physics Attn: Prof. P
Prof. P. Shewmon Dept. Matl. Sci. & Engr
Lawrence Berkeley Laboratory Materials and Molecular Res. Div. Attn: M. A. van
Wynblatt Dept of Met. Engr. and Matls. Science
Carnegie-Mellon University Attn (1521)
Universal features of the equation of state of metals
J. Rose (1984)
CT 06269-3136 University of Connecticut Department of Metallurgy Attn: Jonathan A
Theory of Dislocations
Jens Lothe John Price Hirth (1968)
Attn: Ohira Tatsuya Advanced Technology Research Center Technical Headquarters
Smithells Metals Reference Book
Colin J. Smithells (1949)
Los Alamos, NM
Los Alamos Natl. Scientific Lab
Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in Metals
M. Daw (1983)
Molecular dynamics determination of defect energetics in beta -SiC using three representative empirical potentials
Hanchen Huang (1995)
Attn: D. Srolovitz Ann Arbor, MI 48109-2136 University of Michigan Dept
D J Prof
Point defects and defect interactions in metals
Defect Interactions in Metals (1982)
West Mifflin
Materials Science and Engineering Attn: Prof. S. L. Sass Ithaca
Cornell University Dept
Analysis of low-energy-electron-diffraction intensity spectra for (001), (110), and (111) nickel
J. Demuth (1975)
Modified embedded atom method calculations of interfaces
M. Baskes (1996)
Attn: Prof. Diana Farkas 213 Holden Blacksburg, VA 24061-0237 Washington University Department of Physics Campus Box 1105 Attn
CA 94305 Technical University of Denmark Attn: J. K. Nørskov Lab. f. Technical Physics DK-2800 Lyngby
Application of the embedded-atom method to covalent materials: A semiempirical potential for silicon.
Baskes (1987)
Solid State Physics : Advances in Research and Applications
F. Seitz (1978)
Atomistic calculations of composite interfaces
M. Baskes (1994)
Modified embedded atom potentials for HCP metals
M. Baskes (1994)
Surface stresses and vacancies
R. Johnson (1996)
Modified embedded-atom potentials for cubic materials and impurities.
Baskes (1992)

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Etude par dynamique moléculaire de l'alliage eutectique Au-Si en volume et en interaction avec un substrat de silicium : A molecular dynamics study of the bulk Au-Si eutectic alloy and in interation with substrates of silicon.
Thị Lệ Thủy Nguyễn (2012)
Numerical scheme analysis towards prediction of nanoscale fracture toughness of silicon at room temperature
Z. Jiang (2016)
Embedded-atom-method interatomic potentials from lattice inversion.
Xiao-Jian Yuan (2010)
Modified embedded-atom method interatomic potentials for the Fe–Ti–C and Fe–Ti–N ternary systems
H. Kim (2008)
Modified embedded-atom method interatomic potential for the Fe-Cu alloy system and cascade simulations on pure Fe and Fe-Cu alloys
Byeong-Joo Lee (2005)
Highly optimized empirical potential model of silicon
T. Lenosky (2000)
Frontiers of Theoretical Research on Shape Memory Alloys: A General Overview
Piyas Chowdhury (2018)
A molecular dynamic study of nano-grinding of a monocrystalline copper-silicon substrate
Yixin Xu (2019)
Lattice-Inversion Embedded-Atom-Method Interatomic Potentials for Group-VA Transition Metals
Xiao-Jian Yuan (2011)
Surface segregation in Pt25Rh75 alloys studied by Monte Carlo simulations and the modified embedded atom method
J. Luyten (2007)
Estimation of order-disorder transition temperature in Pt-Co alloy by Monte Carlo simulation using modified embedded atom method
S. I. Park (2001)
Transition to Plasticity in Continuum‐Atomistic Modelling
R. Sunyk (2006)
Calculations of the Structure and Properties of Rapidly Quenched Ni/Zr Alloys
F. J. Cherne (2002)
Effects of Vanadium Intergranular Segregation at FCC/L12 Interfaces in Ni-Al-V Alloys
W. Dong (2017)
An improved molecular dynamics potential for the Al–O system
I. Lazic (2012)
Atomistic Modeling of pure Mg and Mg―Al systems
Y. Kim (2009)
Modified embedded-atom method interatomic potential for the Fe-Al system.
Eunkoo Lee (2010)
MD simulation of growth of Pd on Cu (1 1 1) and Cu on Pd (1 1 1) substrates
Tao Fu (2015)
Using the modified embedded-atom method to calculate the properties of Pu-Ga alloys
M. Baskes (2003)
Atomistic Model of Uranium
R. Li (2011)
A Comparative Study on Hydrogen Diffusion in Amorphous and Crystalline Metals Using a Molecular Dynamics Simulation
Byeong-Moon Lee (2014)
Fatigue damage in nickel and copper single crystals at nanoscale
G. Potirniche (2005)
Molecular Dynamics simulation of silicon sputtering: sensitivity to the choice of potential
B. Thijsse (2004)
Atomistic modelling of fatigue crack growth and dislocation structuring in FCC crystals
G. Potirniche (2006)
Hybrid Bond-Order Potential for Silicon
Suleiman Y. Oloriegbe (2008)
Recent advances and applications of machine learning in solid-state materials science
J. Schmidt (2019)
Segregation and migration of species in the CrCoFeNi high entropy alloy
Simon C. Middleburgh (2014)
Viscosity of Sn-Cu Solders Investigated by Molecular Dynamics
R. Ding (2011)
A modified embedded-atom method interatomic potential for Germanium
E. H. Kim (2008)
Atomistic potential for adsorbate/surface systems: CO on Pt
van P Paul Beurden (2002)
Atomistic modeling of thermodynamic properties of Pu-Ga alloys based on the Invar mechanism
T. Lee (2014)
Atomistic modeling of an impurity element and a metal-impurity system: pure P and Fe-P system.
Won-Seok Ko (2012)
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