Influence of atomic incident kinetic energy on crystalline quality of epitaxial GaN thin films: A molecular dynamics study

R Li, G Wu, K Liang, L Xue, S Wang, S Liu - Materials Science in …, 2022 - Elsevier
The high-quality GaN thin films is of great significance for increasing the lifetime and
performance of GaN devices. There are still few studies analyzing the effect of different …

Al addition on the short and medium range order of CuZrAl metallic glasses

C Han, W Yang, Y Lan, M Sun - Physica B: Condensed Matter, 2021 - Elsevier
Appropriately addition of Al element can significantly enhance CuZr binary system
mechanical properties and glass forming ability (GFA). In this work, the role of minor addition …

The connection of icosahedral and defective icosahedral clusters in medium-range order structures of CuZrAl alloy

L Ren, T Gao, R Ma, Q Xie, Z Tian, Q Chen… - Journal of Non …, 2019 - Elsevier
Medium-range order structure is the one of the important local structural units in the field of
bulk metallic glasses. The rapid solidification of Cu 50 Zr 40 Al 10 ternary alloy is …

[HTML][HTML] Multi-scale modeling of decohesion characteristics of second phase particles from the matrix in uniaxial tension in a high strength aluminum alloy

A Sarmah, MK Jain - Engineering Fracture Mechanics, 2024 - Elsevier
This research investigates stress evolution and plastic deformation characteristics
influencing particle–matrix interface decohesion in AA7075-O aluminum sheets. Employing …

Calculations of uniaxial tensile strength of Al–Cu–Ni based metallic glasses using molecular dynamics simulations

A Shahzad, M Kashif, T Munir, A Perveen, M He… - Physica B: Condensed …, 2021 - Elsevier
Molecular dynamics (MD) simulations have been performed to investigate the mechanical
properties (MPs) of Al–Cu–Ni based metallic glasses (MGs). The embedded atom method …

Optimizing Ni-Zr-Ti metallic glasses: Cluster design and molecular dynamics evaluation of glass forming ability

X Wang, S Yu, N Chen, Y Chao, X Jiang… - Journal of Alloys and …, 2024 - Elsevier
Ni-based metallic glasses have garnered significant attention due to their excellent
mechanical properties and wide application prospects. However, their low glass forming …

Molecular dynamics simulations of tensile mechanical properties and microstructures of Al-4.5 Cu alloy: The role of temperature and strain rate

M Wang, X Huang, S Wu, G Dai - Modelling and Simulation in …, 2022 - iopscience.iop.org
In this paper, the deformation behavior of Al-4.5 Cu alloys containing the Cu clusters under
high temperature is systematically investigated by molecular dynamics. Reduced nucleation …

Molecular dynamics simulation study of the mechanical properties of nanocrystalline body-centered cubic iron

J Herman, M Govednik, SP Patil, B Markert - Surfaces, 2020 - mdpi.com
In the present work, the mechanical properties of nanocrystalline body-centered cubic (BCC)
iron with an average grain size of 10 Å were investigated using molecular dynamics (MD) …

The icosahedral short-range order and its local structures in Cu50Zr40Al10 alloy

L Ren, T Gao, R Ma, Q Xie, X Hu - Materials Research Express, 2018 - iopscience.iop.org
Local structures are the fundamental consideration in the formation and properties of
metallic glasses. Icosahedral clusters are the essential basic clusters in amorphous alloys …

The effect of strain rate and temperature on the mechanical behavior of Al/Fe interface under compressive loading

ZG El Chlouk, MA Shehadeh, RF Hamade - Metallurgical and Materials …, 2020 - Springer
Molecular dynamics (MD) is employed to simulate the mechanical response of Al/Fe
interface under compression at extreme conditions of seven temperatures and four strain …