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 …

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

SK Singh, A Parashar - Engineering Fracture Mechanics, 2022 - Elsevier
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 …

Molecular dynamics-based cohesive zone representation of Ti6Al4V/TiC composite interface

MG Elkhateeb, YC Shin - Materials & Design, 2018 - Elsevier
Abstract In this paper, Molecular Dynamics (MD) simulation is used to simulate the crack
propagation along the interface of Ti6Al4V/TiC in Titanium metal matrix composites under …

Record low thermal conductivity of polycrystalline Si nanowire: breaking the casimir limit by severe suppression of propagons

Y Zhou, M Hu - Nano Letters, 2016 - ACS Publications
Thermoelectrics offer an attractive pathway for addressing an important niche in the globally
growing landscape of energy demand. Nanoengineering existing low-dimensional …

An atomistic characterization of the interplay between composition, structure and mechanical properties of amorphous geopolymer binders

MR Sadat, S Bringuier, K Muralidharan… - Journal of Non …, 2016 - Elsevier
The amorphous geopolymer binder-phase is the primary adhesive constituent within a
geopolymer and consists of completely polymerized glassy networks of (SiO 4) and (AlO 4) …

[HTML][HTML] Pressure Sensors Based on the Third-generation Semiconductor Silicon Carbide: A Comprehensive Review

X Fang, C Wu, B Tian, L Zhao, X Wei, Z Jiang - Engineering, 2025 - Elsevier
Microelectromechanical system (MEMS) high-temperature pressure sensors are widely
used in aerospace, petrochemical industries, automotive electronics, and other fields owing …

A molecular dynamics based cohesive zone model for predicting interfacial properties between graphene coating and aluminum

WG Jiang, Y Wu, QH Qin, DS Li, XB Liu… - Computational Materials …, 2018 - Elsevier
A cohesive zone model (CZM) based on a traction–separation (TS) relation is first
developed to simulate the interfacial behavior between graphene coating and aluminum (Al) …

Effect of abrasive particle shape on the development of silicon substrate during nano-grinding

Y Huang, M Wang, J Li, F Zhu - Computational Materials Science, 2021 - Elsevier
The interactions between silicon substrate and abrasive particles are the important
mechanical process during nano-grinding. We conducted the molecular dynamics …

[HTML][HTML] Multiscale modeling of interfacial mechanical behaviours of SiC/Mg nanocomposites

X Zhou, W Bu, S Song, F Sansoz, X Huang - Materials & Design, 2019 - Elsevier
The aim of this investigation is to predict the interface separation behavior of silicon carbide
(SiC) reinforced magnesium (Mg) matrix composites via multiscale simulations. Interface …