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
Metal-matrix composites (MMCs) attracts have gained significant attention in recent years
and are extensively utilized in aerospace field due to their exceptional properties. Molecular …

[HTML][HTML] Temperature dependent deformation behavior and texture evolution in AA6082 aluminum alloy: an integrated experimental and crystal plasticity simulation …

O Lypchanskyi, CC Chiu, F Qayyum, G Korpała… - International Journal of …, 2024 - Elsevier
This research provides a comprehensive analysis of the texture and temperature dependent
deformation behavior of the aluminum alloy AA6082. The study is performed using a …

Machine-learning-based model of elastic—Plastic deformation of copper for application to shock wave problem

AE Mayer, MV Lekanov, NA Grachyova, EV Fomin - Metals, 2022 - mdpi.com
Molecular dynamics (MD) simulations explored the deformation behavior of copper single
crystal under various axisymmetric loading paths. The obtained MD dataset was used for the …

[HTML][HTML] Metallurgical analysis of laser powder bed-fused Al–Si–Mg alloys: Main causes of premature failure

E Cerri, E Ghio - Materials Science and Engineering: A, 2023 - Elsevier
Abstract AlSi7Mg and AlSi10Mg are the most used alloys to manufacture Laser Powder Bed
Fusion lightweight components. These products have high specific strengths but a …

Effects of MnS inclusions on mechanical behavior and damage mechanism of free-cutting steel: A molecular dynamics study

Y Wang, F Wang, W Yu, Y Wang, Z Qi - Journal of Molecular Graphics and …, 2023 - Elsevier
In order to research the effect pattern of MnS inclusions on free-cutting steel, we study the
microstructure evolution, the damage mechanism and the mechanical properties in free …

Transitioning of deformation mode in bicrystalline Al-Mg alloy with Σ3 [1 1 1] 60°{11 8 5} faceted grain boundary

A Verma, SK Singh, S Ogata - Materials Letters, 2024 - Elsevier
In this letter, the authors have elucidated the effect of alloying biocompatible and lighter
magnesium (Mg) solute atoms in a bicrystalline aluminium (Al) solvent incorporated with a …

Effects of h-BN additives on tensile mechanical behavior of Fe matrix: A molecular dynamics study

M Wang, F Wang, J Zhang, H Wang, Y Wang… - Computational Materials …, 2023 - Elsevier
In this paper, the effect mechanism of h-BN size, strain rate and tensile direction on tensile
mechanical properties of Fe matrix in the presence of h-BN inclusions was investigated by …

Computational analysis of the mechanical properties of Ta/Cu nanocomposite dental implants: On the role of incoherent interfaces

A Kardani, A Montazeri, HM Urbassek - Metals and Materials International, 2023 - Springer
In recent years, tantalum (Ta)-based nanostructured dental implants have been widely
utilized considering their exceptional biocompatibility, bioactivity, and biomechanical …

Friction and wear study of metallic contacts under dry sliding conditions: A molecular dynamics simulation-based approach

S Kumar, A Rajput, SK Paul, M Tiwari… - Proceedings of the …, 2024 - journals.sagepub.com
Sliding friction originating due to ploughing and adhesive wear significantly affects the
performance of small-scale components, that is, nano-electromechanical systems/micro …

Texture evolution and control of 2524 aluminum alloy and its effect on fatigue crack propagation behavior

Y Chen, C Xiong, W Liu, S Pan, Y Song, Y Liu, B Zhu - Applied Sciences, 2021 - mdpi.com
The influences of cold rolling and subsequent heat treatment on the microstructure evolution
of 2524 alloy were investigated using an orientation distribution function (ODF) and electron …