Recent advances of molecular dynamics simulations in nanotribology

I Srivastava, A Kotia, SK Ghosh, MKA Ali - Journal of Molecular Liquids, 2021 - Elsevier
To improve the efficiency of a machinery component, it is necessary to enhance the quality
of lubricants. Lubricants help to reduce the friction and wear between the two surfaces which …

Nanoindentation and mechanical properties of materials at submicro-and nanoscale levels: Recent results and achievements

YI Golovin - Physics of the Solid State, 2021 - Springer
The review is dedicated to characteristics of the mechanical behavior of various materials at
submicro-and nanoscale levels. To a large extent, progress in this area is determined by the …

Atomistic insights into the deformation mechanism of a CoCrNi medium entropy alloy under nanoindentation

D Hua, Q Xia, W Wang, Q Zhou, S Li, D Qian… - International Journal of …, 2021 - Elsevier
Understanding the fundamental of contact-induced behavior in metals is critical for the
studies of associated mechanical properties. Although nanocontact plasticity in the …

Chemical short-range order strengthening mechanism in CoCrNi medium-entropy alloy under nanoindentation

X Yang, Y Xi, C He, H Chen, X Zhang, ST Tu - Scripta Materialia, 2022 - Elsevier
The strengthening effect of chemical short-range order (SRO) structure in CoCrNi medium-
entropy alloy (MEA) was investigated using molecular dynamics (MD) simulations of …

Atomistic understanding of incipient plasticity in BCC refractory high entropy alloys

X Liu, D Hua, W Wang, Q Zhou, S Li, J Shi, Y He… - Journal of Alloys and …, 2022 - Elsevier
Understanding the incipient plastic behavior of refractory high-entropy alloys (RHEAs) is
crucial for their high-temperature applications. In this study, the initial dislocation nucleation …

Coupling of double grains enforces the grinding process in vibration-assisted scratch: insights from molecular dynamics

Z Hu, Y Chen, Z Lai, Y Yu, X Xu, Q Peng… - Journal of Materials …, 2022 - Elsevier
Coupling of multiple abrasive grains is crucial for the efficiency in the grinding process and
grinder design. Here the coupling effect in a double-grain model in vibration-assisted …

Generalized stacking fault energies and Peierls stresses in refractory body-centered cubic metals from machine learning-based interatomic potentials

X Wang, S Xu, WR Jian, XG Li, Y Su… - Computational Materials …, 2021 - Elsevier
The generalized stacking fault energies (GSFE) and Peierls stresses are strongly related to
the mechanical properties of refractory metals. In this work, the GSFE curves and Peierls …

Frank-Read source operation in six body-centered cubic refractory metals

S Xu, Y Su, LTW Smith, IJ Beyerlein - Journal of the Mechanics and Physics …, 2020 - Elsevier
Abstract The Frank-Read (FR) source is a well-known intragranular dislocation source that
plays an important role in size-dependent dislocation multiplication in metallic crystals. In …

Advances of molecular dynamics simulation in tribochemistry and lubrication investigations: a review

J He, H Tang, C Wang - Journal of Industrial and Engineering Chemistry, 2023 - Elsevier
As a hot topic in recent years, molecular dynamics (MD) simulation has become an effective
tool in tribochemistry and lubrication investigations, which provides unique insight on …

Advances in thermal barrier coatings modeling, simulation, and analysis: A review

A Ashofteh, M Rajabzadeh - Journal of the European Ceramic Society, 2024 - Elsevier
This review presents an approach to traditional and advanced modeling, simulation, and
analysis techniques in the context of thermal barrier coatings (TBCs), augmented by AI …