Results 31 to 40 of about 23,460 (281)

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

open access: yesBeilstein 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   +4 more
doaj   +1 more source

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

open access: yesComputational 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

open access: yesScientific 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   +2 more
doaj   +1 more source

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

open access: yesMedžiagotyra, 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

A Modified Embedded-Atom Method Interatomic Potential for the Mg–Mn Binary System [PDF]

open access: yes, 2022
Magnesium, the lightest structural metal, needs to improve its strength and formability at room temperature for commercialization. Manganese is an alloying element that can improve the strength of magnesium through forming intermetallic compounds ...
LEE, BYEONG JOO, Hyo-Sun Jang
core   +1 more source

A Comparison of the Predictive Capabilities of the Embedded-Atom Method and Modified Embedded-Atom Method Potentials for Lithium [PDF]

open access: yes, 2015
We compare six lithium potentials by examining their ability to predict coexistence properties and liquid structure using molecular dynamics. All potentials are of the embedded-atom method type.
Joseph R. Vella (1470574)   +3 more
core   +1 more source

A Modified Embedded-Atom Potential for Fe-Cr-Si Alloys [PDF]

open access: yes, 2021
We developed a modified embedded atom method (MEAM) potential for Fe-Cr-Si ternary systems. These alloys have superior corrosion and crack resistance, making them candidate materials for several engineering applications such as accident-tolerant fuel ...
Shiddartha Paul (6847112)   +4 more
core   +3 more sources

Tensile properties dependency on crystal size and direction of single crystal Ag3Sn intermetallic compound: a molecular dynamics study

open access: yesJournal of Materials Research and Technology, 2022
The necessities of lead-free solder alloys have been expanded by the advent of eco-friendly technologies of microelectronic packaging industry. Mostly lead-free solder alloys are SAC, which is the alloy of tin, silver and copper metal.
Md. Maruf Billah   +3 more
doaj   +1 more source

Development and application of interatomic potentials to study the stability and shear strength of Ti/TiN and Cu/TiN interfaces

open access: yesMaterials & Design, 2020
A modified embedded atom method interatomic potential was developed to study semi-coherent metal/ceramic interfaces involving Cu, Ti and N. A genetic algorithm was used to fit the model parameters to the physical properties of the materials.
Abu Shama Mohammad Miraz   +4 more
doaj   +1 more source

Modified embedded-atom method interatomic potentials for Mg-Nd and Mg-Pb binary systems [PDF]

open access: yes, 2017
Interatomic potentials for the Mg-Nd and Mg-Pb binary systems have been developed within the framework of the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism.
Kim, K.-H.   +3 more
core   +1 more source

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