Hydrogel is a three‐dimensional cross‐linked hydrophilic network that can imbibe a large
amount of water inside its structure (up to 99% of its dry weight). Due to their unique …

Nanoscale features present in structural and functional materials affect their macroscopic
properties and hence have been extensively studied. As experimental investigations of …

Molecular dynamics (MD) is a powerful tool for modeling structural transformations in
metallic materials under irradiation, severe plastic deformation, laser processing, etc. The …

The aim of the article is to study the crack tip behaviour in mutli-elemental alloys. Molecular
dynamics based simulations were performed in conjunction with 2NN MEAM potential to …

In this article, molecular dynamics (MD) based simulations were performed to study the
crack tip behaviour in single and polycrystalline configurations of five elemental (Co-Cr-Cu …

This article investigated the impact of intergranular hydride precipitation on the mechanical
behavior of zirconium (Zr) bi-crystals using molecular dynamics (MD)-based simulations …

The influence mechanism of crack orientation on B2 phase crack propagation behavior
under cyclic loading is studied by using the meta-atom molecular dynamics (MAMD) …

The overarching objective of the paper is to analyze the mixed-mode crack propagation
direction angles by molecular dynamics method and to investigate the validity of continuum …

Crack propagation mechanisms and phase transformation play a crucial role in improving
the formability of metastable high-entropy alloys (HEA). In this study, a multi-component …

This article aims to study the mechanical behavior of zirconium hydride phases, including γ-
ZrH, δ-ZrH 1.5, and epsilon-ZrH 2. Atomistic simulations were performed to analyze the uni …