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 …

Progress on the development of DNA-mediated metal nanomaterials for environmental and biological analysis

J Fu, Z Zhang, G Li - Chinese Chemical Letters, 2019 - Elsevier
Nowadays, DNA-mediated metal nanomaterials have received more and more attention due
to their distinctive properties of easy synthesis, high stability and good biocompatibility. As a …

Atomistic characterization of multi nano-crystal formation process in Fe–Cr–Ni alloy during directional solidification: Perspective to the additive manufacturing

S Kumar, S Nandi, SK Pattanayek, M Madan… - Materials Chemistry and …, 2023 - Elsevier
The directional solidification phenomenon has been observed in conventional castings and
state-of-the-art manufacturing processes like additive manufacturing of steel. Precise control …

Enhancing mechanism of CNT-CNT interface by metal nanoparticle and nanowire effect on the inside and outside of CNT

H Zou, Y Feng, X Zhang, T Ohara, L Qiu - International Journal of Thermal …, 2023 - Elsevier
Enhancing the weak interfacial heat transfer between carbon nanotubes (CNTs) is an
effective approach to its application in thermal management for electronic devices, MEMS …

Molecular dynamics studies on mechanical properties and deformation mechanism of graphene/aluminum composites

M Li, XW Lei - Computational Materials Science, 2022 - Elsevier
In this study, the mechanical properties of a graphene/aluminum (Gr/Al) composite under
uniaxial tension and compression were investigated using molecular dynamics (MD) …

Reactivity-controlled aggregation of graphene nanoflakes in aluminum matrix: atomistic molecular dynamics simulation

S Kumar, SK Pattanayek, SK Das - The Journal of Physical …, 2019 - ACS Publications
Aluminum graphene nanoflakes composite depicts many useful properties such as excellent
mechanical strength, lightweight, high electrical, thermal properties, etc. Aggregation and …

Evolution of nanostructure and mechanical properties of silver nano-particle in the confined region between graphene sheets: An atomistic investigation

S Kumar, SK Das, SK Pattanayek - Computational Materials Science, 2018 - Elsevier
Solidification and organization of silver nano-particle in a confined region between
graphene sheets, shows much importance for the various application in the field of …

Spreading and orientation of silver nano-drops over a flat graphene substrate: An atomistic investigation

S Kumar - Carbon, 2018 - Elsevier
The spreading and orientation of silver nano-drop over the graphene substrate are important
in various applications such as flexible electronic, bio-medical, electrochemical, and coating …

Wettability and structural evolution of gold over a single-walled carbon nanotube: an atomistic investigation

S Kumar - The Journal of Physical Chemistry C, 2018 - ACS Publications
Gold nanostructures with high surface area-to-volume ratio depict many applications for the
design and development of advanced materials for the nanoelectronic, catalyst …