Results 231 to 240 of about 17,877 (250)

Modified embedded-atom method interatomic potentials for Ti and Zr

Physical Review B, 2006
Semiempirical interatomic potentials for hcp elements, Ti and Zr, have been developed based on the MEAM (modified embedded-atom method) formalism. The new potentials do not cause the stability problem previously reported in MEAM for hcp elements, and describe wide range of physical properties (bulk properties, point defect properties, planar defect ...
Kim, YM, Lee, BJ, Baskes, MI
openaire   +2 more sources

A modified embedded-atom method interatomic potential for the V–H system

Calphad, 2011
Abstract An interatomic potential for the vanadium–hydrogen binary system has been developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM) potential formalism, in combination with the previously developed potentials for V and H.
Shim, JH, Lee, YS, Fleury, E, Cho, YW, Ko, WS, Lee, BJ   +5 more
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A modified embedded atom method interatomic potential for the Cu–Ni system

Calphad, 2004
Abstract A semi-empirical interatomic potential, the MEAM, has been applied to obtain an interatomic potential for the Cu–Ni system, based on the previously developed potentials for pure Cu and Ni. The procedure for the determination of potential parameter values is presented.
Lee, BJ, Shim, JH
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A modified embedded atom method interatomic potential for the Ti–N system

Physica B: Condensed Matter, 2009
Abstract A modified embedded atom method (MEAM) interatomic potential for the Ti–N system has been developed using previous MEAM potentials of Ti and N. The materials parameters, such as the cohesive energy, equilibrium atomic volume, and bulk modulus, were used to determine the MEAM parameters.
Hanjiang Yu, Fengjiu Sun
openaire   +1 more source

Modified embedded-atom method potential of niobium for studies on mechanical properties

Computational Materials Science, 2019
Abstract Niobium (Nb) as a refractory metal has appealing mechanical properties due to high ductility at room temperature. Density functional theory (DFT) calculations confirmed its intrinsic ductility by showing its perfect lattice generates an elastic shear deformation preceding its cleavage fracture under 〈 1 0 0 〉 ideal tensile ...
Chaoming Yang, Liang Qi
openaire   +1 more source

Modified embedded-atom method interatomic potentials for the Fe–Ti–C and Fe–Ti–N ternary systems

Acta Materialia, 2009
Byeong-Joo Lee, Woo Sang Jung
exaly  

Modified embedded-atom method interatomic potentials for the Ti–C and Ti–N binary systems

Acta Materialia, 2008
Byeong-Joo Lee
exaly  

Modified embedded-atom method interatomic potentials for the Fe–Nb and Fe–Ti binary systems

Scripta Materialia, 2008
Byeong-Joo Lee
exaly  

Modified embedded-atom method interatomic potentials for pure Mn and the Fe–Mn system

Acta Materialia, 2009
Byeong-Joo Lee, Young-Han Shin
exaly  

A modified embedded-atom method interatomic potential for the Fe–H system

Acta Materialia, 2007
Byeong-Joo Lee
exaly