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Classical molecular dynamics simulations of the deformation of metals under uniaxial monotonic loading: A review
Nanoscale features present in structural and functional materials affect their macroscopic
properties and hence have been extensively studied. As experimental investigations of …
properties and hence have been extensively studied. As experimental investigations of …
Molecular dynamics simulation of microstructural evolution and mechanical behavior of titanium alloy subjected to laser shock peening
J Li, W Lu, L Liu, S Huang, M Ji, Y Zhao - Optics & Laser Technology, 2024 - Elsevier
In this study, the main purpose was to investigate the microstructural evolution and
mechanical behavior of titanium alloy treated by laser shock peening using the piston impact …
mechanical behavior of titanium alloy treated by laser shock peening using the piston impact …
[HTML][HTML] Development of a neuroevolution machine learning potential of Pd-Cu-Ni-P alloys
R Zhao, S Wang, Z Kong, Y Xu, K Fu, P Peng, C Wu - Materials & Design, 2023 - Elsevier
Abstract Pd-Cu-Ni-P alloy is an ideal model system of metallic glass known for its
exceptional glass-forming ability. However, few correlation of structures with properties was …
exceptional glass-forming ability. However, few correlation of structures with properties was …
[HTML][HTML] Molecular dynamics study on temperature and strain rate dependences of mechanical properties of single crystal Al under uniaxial loading
Z Li, Y Gao, S Zhan, H Fang, Z Zhang - AIP Advances, 2020 - pubs.aip.org
Based on the embedded atomic method potential energy function, the uniaxial tensile and
compressive deformation of nanocrystalline Al with different sizes in the crystal orientation …
compressive deformation of nanocrystalline Al with different sizes in the crystal orientation …
Different phase transformation behaviors of B2-CuZr crystalline phase and their associated mechanical properties by molecular dynamics using different potentials
J Wu, M Zhu, S Li, H Zhong, P Li, K Song… - Materials Today …, 2024 - Elsevier
Metastable CuZr-based alloys have attracted much attention due to their high glass-forming
ability and shape memory effect. Many experiments have underscored the pivotal role of the …
ability and shape memory effect. Many experiments have underscored the pivotal role of the …
Strain direction dependency of deformation mechanisms in an HCP-Ti crystalline by molecular dynamics simulations
H Zhang, X Ou, B Wei, S Ni, M Song - Computational Materials Science, 2020 - Elsevier
In this work, effects of uniaxial tensile directions on the deformation mechanisms of a
hexagonal close-packed (HCP) titanium crystalline were investigated by molecular …
hexagonal close-packed (HCP) titanium crystalline were investigated by molecular …
Nanostructure-property relation of Σ5 grain boundary in HfNbZrTi high-entropy alloy under shear
J Li, Y Wu, Z Bai, W Yu, S Shen - Journal of Materials Science, 2023 - Springer
Recently, the HfNbZrTi high-entropy alloy (HEA) has received extensive attention due to its
exceptional mechanical properties, which is ascribed to the significant lattice distortion and …
exceptional mechanical properties, which is ascribed to the significant lattice distortion and …
[HTML][HTML] Point defect effects on tensile strength of α− zirconium studied by molecular dynamics simulations
Y Li, H Chen, Y Chen, Y Wang, L Shao… - Nuclear Materials and …, 2019 - Elsevier
Vacancy, interstitial, and Frenkel pair effects on the tensile strength of α− Zr are studied by
molecular dynamics simulations. The uni-axial tensile load is along [0001] direction of the α …
molecular dynamics simulations. The uni-axial tensile load is along [0001] direction of the α …
[HTML][HTML] CNT-reinforced iron and titanium nanocomposites: Strength and deformation mechanisms
The mechanical reinforcement of embedding a carbon nanotube inside metals with different
crystal structures (BCC-Fe and HCP-Ti) is investigated using molecular dynamics …
crystal structures (BCC-Fe and HCP-Ti) is investigated using molecular dynamics …
[HTML][HTML] On the slip and twinning mechanisms on first order pyramidal plane of magnesium: Molecular dynamics simulations and first principal studies
Molecular dynamics simulations and first-principles calculations are carried out on first order
pyramidal plane (π 1) of magnesium to study both compression twinning (CTW) and …
pyramidal plane (π 1) of magnesium to study both compression twinning (CTW) and …