Results 21 to 30 of about 23,462 (281)

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

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

Journal 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, Shimanta Das, Abdur Rahman Aad, Ratul Paul   +3 more
doaj   +1 more source

Evaluating compression and nanoindentation in FCC nickel: a methodology for interatomic potential selection

Archives of Mechanics
We performed molecular dynamics simulations to investigate the mechanical response of face-centered cubic (FCC) nickel under uniaxial compression and nanoindentation using traditional interatomic potentials, including the embedded atom method (EAM) and ...
K. Cichocki, F.J. Dominguez-Gutierrez, E. Wyszkowska, L. Kurpaska, K. Muszka   +4 more
doaj   +1 more source

Effects of temperature and strain rate on tensile properties of (Ag,Cu)-Sn intermetallic compounds: A molecular dynamics study

Journal of Materials Research and Technology, 2022
With the advent of environment friendly microelectronic packaging technologies, the demand of lead-free solders alloy has escalated. Leadfree solder material is an alloy of Tin (Sn), Silver (Ag) and Copper (Cu) and is widely known as SAC solder ...
Md. Maruf Billah, R.I. Siddiquee, Mohammad Motalab, R. Paul, M.S. Rabbi   +4 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

Materials & 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, Nisha Dhariwal, W.J. Meng, Bala R. Ramachandran, Collin D. Wick   +4 more
doaj   +1 more source

Generalized correction to embedded-atom potentials for modeling equilibrium and non-equilibrium properties of metals

St. Petersburg Polytechnical University Journal: Physics and Mathematics, 2020
A modification of an embedded-atom method (EAM)-type potential is proposed for a quantitative description of equilibrium and non-equilibrium properties of metal systems within the molecular dynamics framework.
Verkhovtsev Alexey, Korol Andrei, Sushko Gennady, Schramm Stefan, Solov'yov Andrey   +4 more
doaj   +1 more source

Dissociation of edge and screw pyramidal I and II dislocations in magnesium

Journal of Magnesium and Alloys, 2023
Pyramidal dislocations in magnesium (Mg) and other hexagonal close-packed metals play an important role in accommodating plastic strains along the c-axis.
Yang Yang, Fei Liu, Kefan Chen, Boyu Liu, Zhiwei Shan, Bin Li   +5 more
doaj   +1 more source

Tau acetylation at K331 has limited impact on tau pathology in vivo

FEBS Letters, EarlyView.
We mapped tau post‐translational modifications in humanized MAPT knock‐in mice and in amyloid‐bearing double knock‐in mice. Acetylation within the repeat domain, particularly around K331, showed modest increases under amyloid pathology. To test functional relevance, we generated MAPTK331Q knock‐in mice.
Shoko Hashimoto, Yukio Matsuba, Mika Takahashi, Takaomi C. Saido   +3 more
wiley   +1 more source