Atomistic aspects of fracture

E Bitzek, JR Kermode, P Gumbsch - International Journal of Fracture, 2015 - Springer
Any fracture process ultimately involves the rupture of atomic bonds. Processes at the atomic
scale therefore critically influence the toughness and overall fracture behavior of materials …

Size-dependent nonlinear forced vibration and dynamic stability of electrically actuated micro-plates

I Karimipour, YT Beni, AH Akbarzadeh - Communications in Nonlinear …, 2019 - Elsevier
A size-dependent structural dynamic model that incorporates the effect of geometric
nonlinearity is developed in this paper for the forced vibration and dynamic stability of thin …

Studies of crack growth and propagation of single-crystal nickel by molecular dynamics

PH Sung, TC Chen - Computational Materials Science, 2015 - Elsevier
The crack growth and propagation of pre-cracked single-crystal nickel under mode I loading
conditions are investigated by molecular dynamics simulation based on the many-body tight …

Nonlinear dynamic analysis of nonlocal composite laminated toroidal shell segments subjected to mechanical shock

I Karimipour, YT Beni - … in Nonlinear Science and Numerical Simulation, 2022 - Elsevier
The present study deals with the nonlinear forced vibration of composite shallow nano
toroidal shell segments. The improved Donnell shell theory is used with the nonlinear …

Molecular dynamic simulation of crack growth in Ti/TiN multilayer coatings

P Gholizadeh, H Amini, J Davoodi… - Materials Today …, 2022 - Elsevier
Three-dimensional molecular dynamics (MD) simulations were performed to investigate the
crack growth in nanoscale multilayer Ti/TiN. The interatomic bonds were characterized using …

Mesh refinement schemes for the concurrent atomistic-continuum method

S Xu, L Xiong, Q Deng, DL McDowell - International Journal of Solids and …, 2016 - Elsevier
Most concurrent multiscale methods that employ domain decomposition divide the
simulation domain into atomistic and continuum subdomains such that nanoscale defects …

Quantum chemical molecular dynamics study of stress corrosion cracking behavior for fcc Fe and Fe–Cr surfaces

NK Das, K Suzuki, Y Takeda, K Ogawa, T Shoji - Corrosion Science, 2008 - Elsevier
Quantum chemical molecular dynamics simulation was applied to study the oxidation of
bare Fe (111) and Fe–Cr (111) surfaces with strain in high temperature water. Simulation …

A molecular dynamics study of intercrystalline crack propagation in nano-nickel bicrystal films with (0 1 0) twist boundary

Y Zhang, S Jiang, X Zhu, Y Zhao - Engineering Fracture Mechanics, 2016 - Elsevier
Molecular dynamics simulation was performed to investigate influence of (0 1 0) twist
boundary on intercrystalline crack propagation of nano-nickel bicrystal films. The plasticity of …

[HTML][HTML] The effect of zirconium hydride on the corrosion and mechanical behavior of zirconium base metal: Experimental and simulation studies

M Karimi, H Adelkhani - Applied Surface Science Advances, 2021 - Elsevier
In this study, the corrosion and mechanical behavior of zirconium hydride on zirconium
alloys in 1% LiOH solution were studied. The electrochemical method was used to create …

Atomistic modeling of the crack–void interaction in α-Fe

T Liu, S Groh - Materials Science and Engineering: A, 2014 - Elsevier
The analysis of the crack–void interaction at the nanoscale in α-Fe using molecular statics
(MS) and molecular dynamics (MD) in the framework of the embedded atom method (EAM) …