Simulation of metal-graphene composites by molecular dynamics: a review

LR Safina, JA Baimova, KA Krylova… - Letters on …, 2020 - lettersonmaterials.com
Pressure-strain curves for Ni-graphene systems under hydrostatic tension at 0 K and
corresponding snapshots of composite at different strain. Ni atoms are shown by blue and C …

Metal/graphene composites: a review on the simulation of fabrication and study of mechanical properties

JA Baimova, SA Shcherbinin - Materials, 2022 - mdpi.com
Although carbon materials, particularly graphene and carbon nanotubes, are widely used to
reinforce metal matrix composites, understanding the fabrication process and connection …

Molecular dynamics study of the mechanical properties and deformation behavior of graphene/metal composites

LR Safina, KA Krylova, JA Baimova - Materials Today Physics, 2022 - Elsevier
Graphene-metals composites are novel structures with improved properties intensively
studied in the last decades. In this work, the results of molecular dynamics simulation of the …

[HTML][HTML] Morse parameters for the interaction of metals with graphene and silicene

AY Galashev, KP Katin, MM Maslov - Physics Letters A, 2019 - Elsevier
We present Morse parameters for the interaction of graphene and silicene surfaces with the
atoms of practically important metals Ni, Ag, and Li. The parameters' values are derived from …

[HTML][HTML] Microstructural characteristics and mechanical behavior of SiC (CNT)/Al multiphase interfacial micro-zones via molecular dynamics simulations

C Qiu, Y Su, J Yang, X Wang, B Chen, Q Ouyang… - Composites Part B …, 2021 - Elsevier
Developing metal matrix composites (MMCs) with hybrid reinforcements becomes a
promising approach to balance and improve their strengths and toughness. However, due to …

[HTML][HTML] Effect of interatomic potential on simulation of fracture behavior of Cu/graphene composite: A molecular dynamics study

LR Safina, EA Rozhnova, RT Murzaev, JA Baimova - Applied Sciences, 2023 - mdpi.com
Interatomic interaction potentials are compared using a molecular dynamics modeling
method to choose the simplest, but most effective, model to describe the interaction of …

Methodologyfor Molecular Dynamics Simulation of Plastic Deformation of a Nickel/Graphene Composite

KA Krylova, LR Safina, SA Shcherbinin, JA Baimova - Materials, 2022 - mdpi.com
In this study, some features of molecular dynamics simulation for evaluating the mechanical
properties of a Ni/graphene composite and analyzing the effect of incremental and dynamic …

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 …

Ni–Graphene composite obtained by pressure–temperature treatment: atomistic simulations

LR Safina, JA Baimova, KA Krylova… - physica status solidi …, 2021 - Wiley Online Library
The incorporation of metal nanoparticles into novel carbon structures, such as crumpled
graphene (CG), is a promising way to obtain a composite with better mechanical properties …

Nickel nanoparticles inside carbon nanostructures: Atomistic simulation

LR Safina, JA Baimova, RR Mulyukov - Mechanics of Advanced Materials …, 2019 - Springer
Ni nanoparticle on a graphene substrate, inside the fullerene and carbon nanotube was
studied by molecular dynamics simulation technique. Morse interatomic potential have been …