Second nearest-neighbor modified embedded-atom method interatomic potentials for the Mo-M (M= Al, Co, Cr, Fe, Ni, Ti) binary alloy systems

SH Oh, JS Kim, CS Park, BJ Lee - Computational Materials Science, 2021 - Elsevier
Interatomic potentials for the Mo-M (M = Al, Co, Cr, Fe, Ni, Ti) binary … second nearest-neighbor
modified embedded-atom method (2NN MEAM) formalism. The new interatomic potentials

Development of a Ni–Mo interatomic potential for irradiation simulation

L Lang, K Yang, Z Tian, H Deng, F Gao… - … and Simulation in …, 2019 - iopscience.iop.org
… the second nearest-neighbor modified embedded atom method (2NN-MEAM) (developed
by Lee et al [22]). Similarly, for pure Mo, there were many potentials … Ni n Mo m is defined by …

Analyzing the effect of Li/Ni intermixing on Ni-rich layered cathode structures using atomistic simulation of the Li–Ni–Mn–Co–O quinary system

J Ji, BJ Lee - Journal of Power Sources, 2023 - Elsevier
modifying interatomic potentials for sub-unary, binary and ternary systems based on a
second-nearest-neighbor modified embedded-atom method (… This potential is used to analyze the …

Atomistic investigation of effect of alloying on mechanical properties and microstructural evolution of ternary FeCo-X (X= V, Nb, Mo, W)

M Muralles, JT Oh, Z Chen - Computational Materials Science, 2024 - Elsevier
Interatomic potentials The second nearest-neighbor Modified Embedded Atom Method (…
approach that incorporates intricate atomic interactions to model and analyze alloy properties [22…

Cu (111) and Ag (111) surface-phonon spectrum: the importance of avoided crossings

JS Nelson, MS Daw, EC Sowa - Physical Review B, 1989 - APS
… using the embeddedatom method (EAM), ' … model which are related to threebody
interactions and first derivatives of the effective pair potential g, Note that the second-nearest-neighbor

Derivation of phase field model for the second nearest interatomic potential of D022 structure and sedimentation process in N0. 75AlxV0. 25− x alloy

W Dong, X Liu, Y Wang, C He, M Li, M Zhang - Materials Today …, 2023 - Elsevier
… for the interatomic potential model in this paper and its two-… first nearest neighbor atoms
becomes larger that leads to the increase of the distance between the second nearest neighbor

Pressure dependence of thermodynamic interaction parameters for binary solid solution phases: An atomistic simulation study

SH Oh, XG Lu, Q Chen, BJ Lee - Calphad, 2021 - Elsevier
Modified embedded-atom method interatomic potentials for the Ni–Co binary and the Ni–Al–Co
ternary systems Model. … Second nearest-neighbor modified embedded-atom method

An atomistic study of defect energetics and diffusion with respect to composition and temperature in γU and γU-Mo alloys

G Park, B Beeler, MA Okuniewski - Journal of Nuclear Materials, 2021 - Elsevier
… (MD) simulations using an embedded atom method interatomic potential for the U-Mo system…
is divided by two to avoid double counting. In this study, the EAM potential for the ternary U-…

Description of crystal defect properties in BCC Cr with extended Finnis–Sinclair potential

L Wei, F Zhou, S Wang, W Hao, Y Liu… - Multidiscipline Modeling in …, 2022 - emerald.com
potential functions for Cr by using the second nearest-neighbor modified embedded atom
method (2NN … , second nearest neighbor and third nearest neighbor are 5, 6 and 8, and the …

A neural network model for high entropy alloy design

J Wang, H Kwon, HS Kim, BJ Lee - npj Computational Materials, 2023 - nature.com
second nearest-neighbor modified embedded-atom method (2NN MEAM) interatomic potential
… This is because third nearest-neighbor interactions are not completely screened in bcc …