Effect of side surface orientation on the mechanical properties of silicon nanowires: a molecular dynamics study

XR Zhuo, HG Beom - Crystals, 2019 - mdpi.com
… } side surfaces) were simulated by molecular dynamics simulations at a … orientation, while
the tensile strength and compressive strength did. Brittle cleavage was observed under tension

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 …

Molecular dynamics simulation study on the effect of the loading direction on the deformation mechanism of pearlite

H Ghaffarian, AK Taheri, K Kang, S Ryu - Multiscale Science and …, 2019 - Springer
Molecular dynamics simulations were carried out to study the … structure with a Bagaryatsky
orientation relationship at the … [27] reported successful bending in cementite lamellae that …

Molecular dynamics simulation of amorphous polyethylene (PE) under cyclic tensile-compressive loading below the glass transition temperature

Q Bao, Z Yang, Z Lu - Polymer, 2020 - Elsevier
… creep stress was mainly affected by amorphous orientation, … performed molecular dynamics
simulations to study the effect … of the bond tension, bond angle bending and dihedral angle …

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. …

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 …

Modelling dislocation-graphene interactions in a BCC Fe matrix by molecular dynamics simulations and gradient plasticity theory

F Shuang, KE Aifantis - Applied Surface Science, 2021 - Elsevier
… because the applied compressive stress reduced the C single … small bending stiffness, which
was well validated by our simulation in … GNS position, orientation, and interlayer distance. …

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 …