Results 11 to 20 of about 17,877 (250)

Scenarios of structure formation in ternar nanoparticles based on Pd-Pt in the presence of dopant Ni

Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2023
In this work, scenarios of structure formation in ternary nanoparticles based on platinum and palladium of four stoichiometric compositions of different sizes were studied, with nickel acting as a dopant.
N.I. Nepsha, D.N. Sokolov, E.S. Mitinev, A.A. Taktarov, N.Yu. Sdobnyakov   +4 more
doaj   +1 more source

Simulation of thermal decomposition of γ′-Fe4N using molecular dynamics method

AIP Advances, 2023
α″-Fe16N2 is a promising environmentally friendly rare-earth-free permanent magnet material with ultra-high saturation magnetization. Recent research has demonstrated experimentally through a thermally quenching treatment using γ′ phase Fe4N as a ...
Jianxin Zhu, Jian-Ping Wang
doaj   +1 more source

Modelling of Void Collapse with Molecular Dynamics in Pure Sn

Proceedings, 2020
This work simulates the collapse of a spherical void in pure Sn during melting using molecular dynamics (MD). Simulations were performed for two temperatures with a modified embedded atom method (MEAM) potential, which was reported to be in good ...
Georg Siroky, Elke Kraker, Dietmar Kieslinger, Lorenz Romaner, Ernst Kozeschnik, Werner Ecker   +5 more
doaj   +1 more source

Research on solid-phase sintering mechanism and mechanical properties of Fe9.5Co (at%) elastocaloric refrigeration alloy through molecular dynamics simulation

Journal of Materials Research and Technology, 2022
In this paper, the modified embedded atom method (MEAM) potential function was introduced to study the solid-phase sintering (SPS) mechanism and the mechanical properties of Fe9.5Co (at%) elastocaloric refrigeration alloys through molecular dynamics (MD)
Xianfa Li, Yongjun Shi, Jiaxian Chen, Junyu An, Qin Wang   +4 more
doaj   +1 more source

Dependence of mechanical and thermal deformation behaviors on crystal size and direction of Cu3Sn intermetallic: A molecular dynamics study

Alexandria Engineering Journal, 2023
The implementation of environment friendly technologies in microelectronic packaging industry has widened the essentialities of lead-free solder alloys.
Md. Maruf Billah, Abdur Rahman Aad, Shimanta Das, Mohammad Motalab, Ratul Paul   +4 more
doaj   +1 more source

An interatomic potential for saturated hydrocarbons based on the modified embedded-atom method [PDF]

Phys. Chem. Chem. Phys., 2014
Extension of the computationally efficient modified embedded-atom method to hydrocarbons and polymers.
Nouranian, S., Tschopp, M. A., Gwaltney, S. R., Baskes, M. I., Horstemeyer, M. F.   +4 more
openaire   +3 more sources

Determination Overlapping Interface Structure in the ξ´-Al-Ni-Rh Approximant Phase

Medžiagotyra, 2021
The structure of the overlapping interface in ξ´-Al-Ni-Rh was determined by calculating the total energy of super lattices containing defect structures using the modified analytic embedded-atom method (MAEAM).
Yanhui CHEN, Yadi ZHAI, Wenhan ZHANG
doaj   +1 more source

Molecular dynamics modeling of the influence forming process parameters on the structure and morphology of a superconducting spin valve

Beilstein Journal of Nanotechnology, 2020
This work is a study of the formation processes and the effect of related process parameters of multilayer nanosystems and devices for spintronics.
Alexander Vakhrushev, Aleksey Fedotov, Vladimir Boian, Roman Morari, Anatolie Sidorenko   +4 more
doaj   +1 more source

A modified embedded atom method potential for interstitial oxygen in titanium [PDF]

Computational Materials Science, 2016
Abstract Modeling oxygen interstitials in titanium requires a new empirical potential. We optimize potential parameters using a fitting database of first-principle oxygen interstitial energies and forces. A new database optimization algorithm based on Bayesian sampling is applied to obtain an optimal potential for a specific testing set of density ...
Pinchao Zhang, Dallas R. Trinkle
openaire   +1 more source

How atoms of polycrystalline Nb20.6Mo21.7Ta15.6W21.1V21.0 refractory high-entropy alloys rearrange during the melting process

Scientific Reports, 2022
The melting mechanism of single crystal and polycrystalline Nb20.6Mo21.7Ta15.6W21.1V21.0 refractory high entropy alloys (RHEAs) were investigated by the molecular dynamics (MD) simulation using the second-nearest neighbor modified embedded-atom method ...
Shin-Pon Ju, Chen-Chun Li, Huai-Ting Shih   +2 more
doaj   +1 more source