Coefficients of the williams power expansion of the near crack tip stress field in continuum linear elastic fracture mechanics at the nanoscale

LV Stepanova, ON Belova - Theoretical and Applied Fracture Mechanics, 2022 - Elsevier
The paper presents the analysis of the stress field in the neighborhood of the crack tip by
molecular dynamics method implemented in a classical molecular dynamics code LAMMPS …

Stress intensity factors, T-stresses and higher order coefficients of the Williams series expansion and their evaluation through molecular dynamics simulations

LV Stepanova, ON Belova - Mechanics of Advanced Materials and …, 2023 - Taylor & Francis
Molecular dynamics method and finite element analysis are applied for the analysis of the
stress field in the neighborhood of the crack tip in a copper plate with a single edge notch …

An insight into thermal properties of BC3-graphene hetero-nanosheets: a molecular dynamics study

MZ Dehaghani, F Molaei, F Yousefi, SM Sajadi… - Scientific reports, 2021 - nature.com
Simulation of thermal properties of graphene hetero-nanosheets is a key step in
understanding their performance in nano-electronics where thermal loads and shocks are …

Heat transfer through hydrogenated graphene superlattice nanoribbons: a computational study

MZ Dehaghani, S Habibzadeh, O Farzadian… - Scientific Reports, 2022 - nature.com
Optimization of thermal conductivity of nanomaterials enables the fabrication of tailor-made
nanodevices for thermoelectric applications. Superlattice nanostructures are …

Thermal conductivity of random polycrystalline BC3 nanosheets: A step towards realistic simulation of 2D structures

S Fooladpanjeh, F Yousefi, F Molaei… - Journal of Molecular …, 2021 - Elsevier
Boron carbide nanosheets (BC 3 NSs) are semiconductors possessing non-zero bandgap.
Nevertheless, there is no estimation of their thermal conductivity for practical circumstances …

Fracture fingerprint of polycrystalline C3N nanosheets: theoretical basis

B Bagheri, MZ Dehaghani, ME Safa, P Zarrintaj… - Journal of Molecular …, 2021 - Elsevier
Polycrystalline carbon nanosheets are composed of several randomly rotated
monocrystalline regions facing each other in grain boundaries-the cause of stress …

Identification of stress intensity factors, T-stresses and higher-order coefficients of regular terms in the Williams series expansion through molecular dynamics …

LV Stepanova, ON Belova - PNRPU Mechanics Bulletin, 2023 - ered.pstu.ru
Molecular dynamics (MD) approach and finite element analysis are enforced for the
investigating the stress–strain fields in the proximity of the notch tip in a copper plate with …

Applying molecular dynamics simulation to take the fracture fingerprint of polycrystalline SiC nanosheets

F Molaei, MZ Dehaghani, A Salmankhani… - Computational Materials …, 2021 - Elsevier
Graphene-like nanosheets are the key elements of advanced materials and systems. The
mechanical behavior of the structurally perfect 2D nanostructures is well documented, but …

Crack pathway analysis in graphene-like BC3 nanosheets: Towards a deeper understanding

A Dadrasi, S Fooladpanjeh, KE Eshkalak… - Journal of Molecular …, 2021 - Elsevier
Carbon based two-dimensional (2D) nanostructures have exceptional mechanical
properties. Analysis of crack pathway in 2D graphenic materials allows for develo** crack …

Diffusion of water nanodroplets on graphene with double-vacancy: The constraining effects of defect

L Deng, J Li, S Tang, Z Guo - Applied Surface Science, 2022 - Elsevier
Diffusion of water across surfaces generally involves motion on an uneven or defective but
otherwise stationary substrate. Studying the diffusion of water nanodroplets on the surface of …