Investigation of damage mechanisms related to microstructural features of ferrite-cementite steels via experiments and multiscale simulations

H Wang, F Wang, D Qian, F Chen, Z Dong… - International Journal of …, 2023 - Elsevier
Spheroidized ferrite-cementite steel (SFC) is susceptible to micro-defects owing to the
mismatched deformation between the ferrite and cementite during cold forming, which …

A review of molecular dynamics simulation in studying surface generation mechanism in ultra-precision cutting

J Han, Y Chen, J Wang, G Zhang, H Wang - The International Journal of …, 2022 - Springer
Molecular dynamics (MD) simulation, an atomic simulation technique, plays a significant role
in studying mechanism of ultra-precision cutting. MD simulation of nanometric cutting with …

Atomistic simulations to study crack tip behaviour in multi-elemental alloys

SK Singh, A Parashar - Engineering Fracture Mechanics, 2021 - Elsevier
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 …

Effects of the embedding of cohesive zone model on the mesoscopic fracture behavior of Concrete: A case study of uniaxial tension and compression tests

B Chen, H Yu, J Zhang, H Ma, F Tian - Engineering Failure Analysis, 2022 - Elsevier
The application of the Cohesive Zone Model (CZM) in concrete meso-mechanics solves the
nonlinear problem of material crack tip well. At present, the application methods of CZM in …

Multiscale investigation on bitumen-aggregate interfacial debonding using molecular dynamics and finite element method

Z Fan, F Pan, L Sun, D Wang, P Liu - Construction and Building Materials, 2023 - Elsevier
Adhesive failure between bitumen and aggregates is the primary cause of cracking in
asphalt mixtures and pavement moisture damage. The resulting pavement distress poses a …

Effects of grain boundary misorientation angle on the mechanical behavior of Al bicrystals

W Velilla-Díaz, HR Zambrano - Nanomaterials, 2023 - mdpi.com
This research article explores the effect of grain boundary (GB) misorientation on the
mechanical behavior of aluminum (Al) bicrystals by means of molecular dynamics (MD) …

Molecular dynamics simulation of phase transition and crack propagation in metastable high entropy alloy

L Ya-zhou, L Yun, S Shuo, S Yan-yu… - Materials Today …, 2022 - Elsevier
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 …

The role of compositional complexity in the increased fracture resistance of high entropy alloys: Multi-scale atomistic simulations

D Farkas - Computational Materials Science, 2024 - Elsevier
This paper investigates the role of compositional complexity in the fracture behavior of a
model quinary high entropy FCC alloy. The simulations are based on a multi-scale …

[HTML][HTML] Plastic deformation response during crack propagation in Mg bicrystals with twin boundaries

X Lai, F Wang, S Ran, G Xie, G Liu, R Gan… - Journal of Materials …, 2023 - Elsevier
The present study is committed to exploring the intergranular crack performance of
magnesium (Mg) bicrystals with typical twin boundaries (TBs) by molecular dynamics …

Atomistic study on crystal orientation-dependent crack propagation and resultant microstructure anisotropy in NiTi alloys

G Xie, F Wang, X Lai, Z Xu, X Zeng - International Journal of Mechanical …, 2023 - Elsevier
The primary objective of this study was to explore the crystal orientation-dependent fracture
mechanism of nickel–titanium (NiTi) alloys by using molecular dynamics simulations. We …