Atomistic simulations of pristine and nanoparticle reinforced hydrogels: A review
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 …
amount of water inside its structure (up to 99% of its dry weight). Due to their unique …
Classical molecular dynamics simulations of the deformation of metals under uniaxial monotonic loading: A review
Nanoscale features present in structural and functional materials affect their macroscopic
properties and hence have been extensively studied. As experimental investigations of …
properties and hence have been extensively studied. As experimental investigations of …
Effect of lattice distortion and grain size on the crack tip behaviour in Co-Cr-Cu-Fe-Ni under mode-I and mode-II loading
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 …
crack tip behaviour in single and polycrystalline configurations of five elemental (Co-Cr-Cu …
Evolution of dislocations and grain boundaries during multi-axial forging of tantalum
Presented here is the evolution of microstructure of Ta during multi-axial forging, with a
specific understanding of how grain boundary movement and their interaction occurs during …
specific understanding of how grain boundary movement and their interaction occurs during …
Shock resistance capability of multi-principal elemental alloys as a function of lattice distortion and grain size
This article aims to study the shock resistance capability of multi-element alloys. In this study,
we utilized nonequilibrium molecular dynamics-based simulations with an embedded atom …
we utilized nonequilibrium molecular dynamics-based simulations with an embedded atom …
Effects of intergranular hydride precipitation on the mechanical behavior of bicrystalline zirconium: a molecular dynamics-based study
This article investigated the impact of intergranular hydride precipitation on the mechanical
behavior of zirconium (Zr) bi-crystals using molecular dynamics (MD)-based simulations …
behavior of zirconium (Zr) bi-crystals using molecular dynamics (MD)-based simulations …
The tensile behaviour of non-equi-atomic configurations of multiple elemental alloys: Molecular dynamics based study
This article aims to study the effect of lattice distortion on the mechanical behavior of equi-
atomic and non-equi-atomic configurations of high entropy alloys. Molecular dynamics …
atomic and non-equi-atomic configurations of high entropy alloys. Molecular dynamics …
Mechanical behavior of zirconium hydride phases: insights from molecular dynamics based simulations
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 …
ZrH, δ-ZrH 1.5, and epsilon-ZrH 2. Atomistic simulations were performed to analyze the uni …
Effects of γ/γ lamellar interfaces on translamellar crack propagation in TiAl alloys
R Fu, Z Rui, R Feng, Y Dong, X Lv - Journal of Alloys and Compounds, 2022 - Elsevier
Lamellar interfaces and their structures play a significant role in the fracture behavior of fully
lamellar (FL) TiAl alloys. However, the effects of different lamellar interfaces on crack tip …
lamellar (FL) TiAl alloys. However, the effects of different lamellar interfaces on crack tip …
Interaction between collision cascades and nanocrack in hcp zirconium by molecular dynamics simulations
H Wang, C Qin, Y Zhou, X Mi, Y Wang, J Kang… - Computational Materials …, 2022 - Elsevier
In this work, molecular dynamics simulations are performed to investigate the interaction
between the collision cascades and nanocrack in hcp zirconium. When the thermal spike …
between the collision cascades and nanocrack in hcp zirconium. When the thermal spike …