Atomic simulation of the effect of orientation on tensile/compressive properties in nickel-based single crystal superalloys

Q Yin, Y Lian, Z Wen, H Pei, J Wang, Z Yue - Journal of Alloys and …, 2022 - Elsevier
… In this paper, the effects of crystal orientation on the plastic … tension/compression were
simulated by molecular dynamics. … dislocation bundle, which is shown as bending of the 1 6 [ 1 ̅ 1 …

Effects of graphene thickness and length distribution on the mechanical properties of graphene networks: A coarse-grained molecular dynamics simulation

Q Bao, Z Yang, Z Lu, X He - Applied Surface Science, 2021 - Elsevier
… networks, molecular dynamics simulations were performed … graphene sheets that are randomly
oriented in space. However, … hard to bend or twist under uniaxial compression comparing …

Enhancing understanding metal matrix composites through molecular dynamics simulation: A comprehensive review

C Zhao, J Zhou, K Zhong, Y Bai, L Qi - Computational Materials Science, 2024 - Elsevier
… of MMCs through molecular dynamics simulations. Firstly, the … for the effects of factors like
size, shape, and orientation of … , compression, shearing, bending, torsion, impact and fatigue…

… velocities and microstructural investigations in nickel nanowires with crack, crack-defect under mode-I and bending using large-scale molecular dynamics simulations

KC Katakam, N Yedla - Superlattices and Microstructures, 2020 - Elsevier
stress at t = 36 ps in [1-10] and t = 33 ps in [111] orientations … 100> axial orientation Ni NW
subjected to compression mode. … be dissimilar during bending indicating the orientation effect. …

Investigation of the Bending Behavior in Silicon Nanowires: A Nanomechanical Modeling Perspective

SZ Pakzad, MN Esfahani, BE Alaca - arXiv preprint arXiv:2308.13610, 2023 - arxiv.org
Through molecular dynamics simulations and the application … an initial tensile/compressive
stress within the associated models. … ing for crystal orientation effects when scrutinizing their …

Density-Functional Tight-Binding Molecular Dynamics Simulation of the Bending Mechanism of Molecular Crystals

Y Ootani, M Kubo - The Journal of Physical Chemistry C, 2022 - ACS Publications
… sufficiently flexible for a tensile stress to elicit plastic bending. … contact area when the powder
is compressed into a tablet. In … the orientations of the dimers in the shear simulations. The …

Deformation and failure processes of Na-montmorillonite under uniaxial compressive strain condition via molecular dynamic method

D Li, G Li, Z Bai, Z Han, W Lu - Materials Today Communications, 2023 - Elsevier
Compression in the X-direction led to the bending of the clay … Y-direction compression
caused the orientation of the clay … Molecular dynamic simulations have been applied to study …

Insight of molecular simulation to better assess deformation and failure of clay-rich rocks in compression and extension

L Zhu, W Shen, J Shao, M He - … Journal of Rock Mechanics and Mining …, 2021 - Elsevier
orientations and an important dependency on mean stress. The inter-layer space collapse
and atomic sheet bending … In this context, molecular dynamics simulations (MD) have been …

Comparative analysis of mechanical properties for mono and poly-crystalline copper under nanoindentation–Insights from molecular dynamics simulations

AB Shinde, A Owhal, A Sharma, P Ranjan… - Materials Chemistry and …, 2022 - Elsevier
… and study the effects of crystallographic orientations of … nanoindentation response using MD
simulations. The results … materials such as tension, compression, bending, nanoindentation, …

Molecular dynamics simulation of mechanical behavior and phase transformation of nanocrystalline NiTi shape memory alloy with gradient structure

M Wang, S Jiang, D Sun, Y Zhang, B Yan - Computational Materials …, 2022 - Elsevier
orientation and a relatively lager grain size. The grains with preferential orientation can
undergo stress-… pseudoelastic NiTi under uniaxial tension, compression and compression–shear …