[HTML][HTML] Microstructure and properties of graphene nanoplatelets reinforced AZ91D matrix composites prepared by electromagnetic stirring casting

M Li, Q Guo, L Chen, L Li, H Hou, Y Zhao - Journal of Materials Research …, 2022 - Elsevier
Graphene nanoplatelets (GNPs) reinforced AZ91D (GNPs/AZ91D) composites were
prepared by semi-solid electromagnetic stirring casting. The microstructure, mechanical …

[HTML][HTML] Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems

Q Mao, M Feng, XZ Jiang, Y Ren, KH Luo… - Progress in Energy and …, 2023 - Elsevier
Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …

LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

AP Thompson, HM Aktulga, R Berger… - Computer Physics …, 2022 - Elsevier
Since the classical molecular dynamics simulator LAMMPS was released as an open source
code in 2004, it has become a widely-used tool for particle-based modeling of materials at …

First‐principles multiscale modeling of mechanical properties in graphene/borophene heterostructures empowered by machine‐learning interatomic potentials

B Mortazavi, M Silani, EV Podryabinkin… - Advanced …, 2021 - Wiley Online Library
Density functional theory calculations are robust tools to explore the mechanical properties
of pristine structures at their ground state but become exceedingly expensive for large …

Thermally conductive ultra-low-k dielectric layers based on two-dimensional covalent organic frameworks

AM Evans, A Giri, VK Sangwan, S Xun, M Bartnof… - Nature materials, 2021 - nature.com
As the features of microprocessors are miniaturized, low-dielectric-constant (low-k) materials
are necessary to limit electronic crosstalk, charge build-up, and signal propagation delay …

Machine-learning interatomic potentials for materials science

Y Mishin - Acta Materialia, 2021 - Elsevier
Large-scale atomistic computer simulations of materials rely on interatomic potentials
providing computationally efficient predictions of energy and Newtonian forces. Traditional …

Electronic-structure methods for twisted moiré layers

S Carr, S Fang, E Kaxiras - Nature Reviews Materials, 2020 - nature.com
When single layers of 2D materials are stacked on top of one another with a small twist in
orientation, the resulting structure often involves incommensurate moiré patterns. In these …

Gram-scale bottom-up flash graphene synthesis

DX Luong, KV Bets, WA Algozeeb, MG Stanford… - Nature, 2020 - nature.com
Most bulk-scale graphene is produced by a top-down approach, exfoliating graphite, which
often requires large amounts of solvent with high-energy mixing, shearing, sonication or …

Thermal conductivity of polymers and their nanocomposites

X Xu, J Chen, J Zhou, B Li - Advanced Materials, 2018 - Wiley Online Library
Polymers are usually considered as thermal insulators, and their applications are limited by
their low thermal conductivity. However, recent studies have shown that certain polymers …

A review on mechanics and mechanical properties of 2D materials—Graphene and beyond

D Akinwande, CJ Brennan, JS Bunch, P Egberts… - Extreme Mechanics …, 2017 - Elsevier
Since the first successful synthesis of graphene just over a decade ago, a variety of two-
dimensional (2D) materials (eg, transition metal-dichalcogenides, hexagonal boron-nitride …