Results 1 to 10 of about 17,780 (151)
Atomistic Simulations of Pure Tin Based on a New Modified Embedded-Atom Method Interatomic Potential
Metals, 2018 A new interatomic potential for the pure tin (Sn) system is developed on the basis of the second-nearest-neighbor modified embedded-atom-method formalism.
Won-Seok Ko +3 more
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Modified Embedded Atom Method Potential for Modeling the Thermodynamic Properties of High Thermal Conductivity Beryllium Oxide [PDF]
ACS Omega, 2019 Jie Wei +6 more
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Crystals, 2023 Based on a molecular dynamics (MD) simulation, we investigated the nanohole propagation behaviors of single-crystal nickel (Ni) under different styles of Ni–Ni interatomic potentials.
Xinmao Qin +3 more
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Exploration of Entropy Pair Functional Theory
Entropy, 2022 Evaluation of the entropy from molecular dynamics (MD) simulation remains an outstanding challenge. The standard approach requires thermodynamic integration across a series of simulations. Recent work Nicholson et al.
Clifton C. Sluss +3 more
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Molecules, 2022 Herein, the adsorption characteristics of graphene substrates modified through a combined single manganese atom with a vacancy or four nitrogen to CH2O, H2S and HCN, are thoroughly investigated via the density functional theory (DFT) method.
Tingyue Xie +7 more
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Modified embedded-atom method interatomic potentials for Mg–Al–Ca and Mg–Al–Zn ternary systems
Journal of Magnesium and Alloys, 2021 Al, Ca, and Zn are representative commercial alloying elements for Mg alloys. To investigate the effects of these elements on the deformation and recrystallization behaviors of Mg alloys, we develop interatomic potentials for the Al–Ca, Al–Zn, Mg–Al–Ca ...
Hyo-Sun Jang +2 more
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Frontiers in Chemistry, 2021 The second nearest-neighbor modified embedded-atom method (2NN MEAM) potential parameters of the Ti–Cr binary and Ti–Cr–N ternary systems are optimized in accordance with the 2NN MEAM method.
Shoubing Ding +5 more
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Journal of Materials Research and Technology, 2022 A semi-empirical potential in line with the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism has been improved for the Fe–Co interactions intended to reproduce the different thermal phases stability.
Mario Muralles, Joo Tien Oh, Zhong Chen
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The Modified Embedded Atom Method [PDF]
Computational Material Modeling, 1994 Recent modifications have been made to generalize the Embedded Atom Method (EAM) to describe bonding in diverse materials. By including angular dependence of the electron density in an empirical way, the Modified Embedded Atom Method (MEAM) has been able to reproduce the basic energetic and structural properties of 45 elements. This method is ideal for
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Materials & Design, 2021 Chemical short-range order (CSRO) in high entropy alloys (HEAs) has attracted interests recently and is believed to be capable for tuning their mechanical properties.
Xiusong Huang +6 more
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