Classical molecular dynamics simulations of the deformation of metals under uniaxial monotonic loading: A review

A Kedharnath, R Kapoor, A Sarkar - Computers & Structures, 2021 - Elsevier
Nanoscale features present in structural and functional materials affect their macroscopic
properties and hence have been extensively studied. As experimental investigations of …

Role played by phonon drag on accuracy of MD simulations of nanowires due to deficiently selected strain rates

SA Meguid, SI Kundalwal, AR Alian - International Journal of Mechanics …, 2023 - Springer
The literature contains numerous articles devoted to examining the mechanical behavior of
nanowires (NWs) using molecular dynamics simulations. Many of these investigations have …

Key factors of deformation mechanism of Cu-Ag alloy

S Sengul, V Guder - Journal of Non-Crystalline Solids, 2022 - Elsevier
This work focused on the effect of the structural order and dimensionality on the deformation
mechanism of Cu-Ag alloy and the triggering factors of this mechanism. It is revealed that (i) …

Dynamic analysis of single–layered graphene sheet subjected to a moving nanoparticle: A molecular dynamics study

S Seifoori, F Ebrahimi, AM Parrany… - Materials Science and …, 2022 - Elsevier
The dynamic response of a single–layered graphene sheet (SLGS) subjected to a moving
nanoparticle is investigated based on the molecular dynamics (MD) simulations. The time …

Molecular dynamics simulation of Cr–O–C discrete nuclei to reduce the binding force of nanocrystalline Cu/Ni complexes

Z Hu, G Yang, J Chen - Journal of Materials Science, 2024 - Springer
The demolding process of electroforming technology in fabricating microstructured optical-
functional thin films produces the problem of excessive bonding between the metal substrate …

Machine learning and molecular dynamics based models to predict the temperature dependent elastic properties of silver nanowires

SK Joshi, SK Singh, S Dubey - International Journal for …, 2023 - Taylor & Francis
Metallic nanowires are now extensively used in several nanoscale devices and applications.
To further enhance their efficient usage, the estimation and prediction of thermal and …

Atomistic analysis of 3D fracture fingerprints of mono-and bi-crystalline diamond and gold nanostructures

F Molaei, AH Mashhadzadeh, C Spitas… - Engineering Fracture …, 2022 - Elsevier
Gold and diamond are elements of advanced systems. Considering covalent and ionic
character of gold versus completely covalent structure of diamond, visualization of fracture …

Studi Pengaruh Temperatur terhadap Kekuatan Tarik NiTi Nanopillar Menggunakan Simulasi Dinamika Molekuler

ST Cahyono, R Arifin, M Munaji - KOMPUTEK, 2022 - studentjournal.umpo.ac.id
NiTi alloy is a highly functional alloy of Ni (nickel) metal and Ti (titanium) metal used for
engineering. This NiTi alloy has good biocompatibility properties against human body …

Cyclic and tensile deformations of Gold–Silver core shell systems using newly parameterized MEAM potential

SMAA Alvi, A Faiyad, MAM Munshi, M Motalab… - Mechanics of …, 2022 - Elsevier
Abstract Gold–Silver (Au–Ag) core-shell nanostructures have significant applicability in
stretchable and biocompatible electronics where endurance under high tensile and cyclic …

Studi pengaruh cacat kekosongan terhadap kekuatan tarik NiTi dan TiAl nanopillar menggunakan simulasi dinamika molekuler

D Riyanto - 2023 - eprints.umpo.ac.id
Jenis paduan berjenis shape memory alloy saat ini banyak dimanfaatkan pada berbagai
bidang karena sifatnya yang unik. Paduan NiTi dan TiAl adalah termasuk di dalamnya …