Macro copper-graphene composites with enhanced electrical conductivity

KS Kappagantula, JA Smith, AK Nittala… - Journal of Alloys and …, 2022 - Elsevier
Composites demonstrating enhanced electrical conductivity compared to copper have been
highly sought after for their advantages in efficient energy transport behavior. While such …

Pool boiling heat flux of ammonia refrigerant in the presence of iron oxide nanoparticles: a molecular dynamics approach

MJH Al-Chaabawi, A Abdollahi, M Najafi - Engineering Analysis with …, 2023 - Elsevier
Abstract Recently, nano-refrigerant (NR) was proposed as a new heat transfer (HT)
operation strategy. Until today, most research was done on the nanofluids (NFs) …

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 …

Starfish surface-inspired graphene-copper metaparticles for ultrahigh vertical thermal conductivity of carbon fiber composite

E Lee, I Son, JH Lee - Composites Science and Technology, 2020 - Elsevier
Carbon fiber reinforced composites (CFRCs) have received increasing interest for their
unique feature of excellent strength-to-weight ratio and their applicability in various fields …

Molecular dynamics simulations in coatings

A Kataria, S Zafar, A Verma, S Ogata - Coating Materials: Computational …, 2023 - Springer
Molecular dynamics-based simulations have been extensively used to study the effects of
coatings on a variety of surfaces. These coatings have found utilization in improving upon …

[HTML][HTML] TEM analysis and molecular dynamics simulation of graphene coated Al-Cu micro joints

O Mypati, PP Kumar, SK Pal, P Srirangam - Carbon Trends, 2022 - Elsevier
This study compares friction-stir spot welds (FSSW) of pure Al to Cu, with and without
graphene interlayer (GL), for tensile load and electrical conductivity (σ). The weld interface of …

Mechanical-load and temperature-engendered degradation of α-CsPbI 3: reactive molecular dynamics simulation

S Kumar, T Mishra, RK Sahu - Journal of Materials Chemistry C, 2022 - pubs.rsc.org
Inorganic halide perovskite materials are widely used to make efficient solar cells; however,
they have a number of stability issues. Furthermore, due to the inadequate spatiotemporal …

Shock wave induced exfoliation of molybdenum disulfide (MoS2) in various solvents: All-atom molecular dynamics simulation

S Kumar, T Mishra - Journal of Molecular Liquids, 2020 - Elsevier
Molybdenum disulfide (MoS 2) depicts a 2-dimensional layered structure. It is known as
multi-utility and multi-functional material based on its capability to exhibit a change in …

[HTML][HTML] A Molecular Dynamics Study on Auxetic Behaviors of Origami Graphene/Cu Nanocomposites

BW Na, HN Zhang, Y Fan, Y Wang - Journal of Composites Science, 2024 - mdpi.com
Graphene is considered to be one of the most promising reinforcement phases for
nanocomposites due to its unique two-dimensional planar structure with excellent …

External Electric Field Induced Atomic Charge Migration and Surface Degradation of CsPbI3: A Reactive Molecular Dynamics Simulation based study

S Kumar, RK Sahu - Materials Chemistry and Physics, 2025 - Elsevier
Cesium lead iodide, CsPbI 3, is a promising material for solar cell manufacturing;
nonetheless, it has numerous mechanical stability issues. Furthermore, due to low …