Review of progress in calculation and simulation of high-temperature oxidation

D Gao, Z Shen, K Chen, X Zhou, H Liu, J Wang… - Progress in Materials …, 2024 - Elsevier
High-temperature oxidation can precipitate chemical and mechanical degradations in
materials, potentially leading to catastrophic failures. Thus, understanding the mechanisms …

Implementation of specifically designed deep neural networks for the prediction and optimization of tensile properties of aluminum-copper alloy

MH Nikzad, M Heidari-Rarani… - Materials Today …, 2024 - Elsevier
Alloys are engineered materials aimed at enhancing mechanical properties. Extensive
research has focused on identifying the optimal metal composition for alloys with superior …

Effect of Graphene Network Reinforcement and Interface Orientation on the Mechanical Behavior of Nickel Composites: A Molecular Dynamics Study

M Makan, A Makan, A El Ghoulbzouri - Acta Materialia, 2024 - Elsevier
This study investigates the effect of graphene network configuration and interface orientation
on the mechanical behavior of graphene-reinforced nickel (Gr/Ni) composites under tensile …

Mechanical properties of copper-nickel functionally graded materials based on molecular dynamics simulations: material distribution and temperature effects

Y Li, F Tang, W Liu, S Liu - Vacuum, 2024 - Elsevier
Functionally graded materials (FGMs) are new materials with great application prospects at
present. To meet the requirements of this material in industry, such as excellent strength …

Molecular dynamics study on the nanofriction and wear mechanism of transverse grain boundaries in nickel-based alloys

W Chen, S Zhang, Z Bian, M Zheng, J Chen… - Journal of Molecular …, 2025 - Springer
Context This study employs molecular dynamics simulations to investigate the nanoscale
tribological behavior of a single transverse grain boundary in a nickel-based polycrystalline …

Multi-objective optimization and comparison of machine learning algorithms for the prediction of tensile properties of aluminum-magnesium alloy

MA Mokhtari, MH Nikzad - Materials Today Communications, 2024 - Elsevier
Abstract The aluminum-magnesium (Al-Mg) alloy, widely utilized in the aerospace industry is
the focal point of this investigation, which examines the effects of temperature, strain rate …

Investigating Nanoscale Structural Properties To Gain Insight Into Corrosion Nucleation Sites Using Molecular Dynamics Simulations

AM Pitkar - 2024 - rave.ohiolink.edu
Pitting corrosion is a significant and costly issue in engineering applications, leading to
irreversible structural damage and degraded mechanical properties due to surface-level …