Advances of molecular dynamics simulation in tribochemistry and lubrication investigations: a review
J He, H Tang, C Wang - Journal of Industrial and Engineering Chemistry, 2023 - Elsevier
As a hot topic in recent years, molecular dynamics (MD) simulation has become an effective
tool in tribochemistry and lubrication investigations, which provides unique insight on …
tool in tribochemistry and lubrication investigations, which provides unique insight on …
Investigation of the mechanical properties and fracture mechanisms of graphene/WSe2 vertical heterostructure: A molecular dynamics study
Assembling layered materials in the form of vertically stacked heterostructures has emerged
as a facile way to leverage the properties of each component and fabricate novel highly …
as a facile way to leverage the properties of each component and fabricate novel highly …
Vacancy-induced thermal transport in two-dimensional silicon carbide: A reverse non-equilibrium molecular dynamics study
Because of its impressive electrical, thermal, and mechanical properties, two-dimensional
silicon carbide (2D-SiC) has recently gained tremendous attention in the field of …
silicon carbide (2D-SiC) has recently gained tremendous attention in the field of …
Vacancy-induced thermal transport and tensile mechanical behavior of monolayer honeycomb BeO
Because of the rapid shrinking trend of integrated circuits, the performances of nanodevices
and nanomechanical systems are greatly affected by the joule heating and mechanical …
and nanomechanical systems are greatly affected by the joule heating and mechanical …
Investigation on the mechanical properties and fracture phenomenon of silicon doped graphene by molecular dynamics simulation
Silicon do** is an effective way to modulate the bandgap of graphene that might open the
door for graphene to the semiconductor industries. However, the mechanical properties of …
door for graphene to the semiconductor industries. However, the mechanical properties of …
Engineered defects to modulate the phonon thermal conductivity of Silicene: A nonequilibrium molecular dynamics study
Silicene has recently grabbed tremendous attention in the scientific community owing to its
superb electronic and thermal properties and the promise of high-efficiency thermoelectric …
superb electronic and thermal properties and the promise of high-efficiency thermoelectric …
Uniaxial Tensile-Induced Phase Transition in Graphynes
The field of materials science has a strong focus on the study of two-dimensional (2D)
materials, with particular emphasis on graphene (GR) and its various allotropes such as …
materials, with particular emphasis on graphene (GR) and its various allotropes such as …
Atomic-scale analysis of the physical strength and phonon transport mechanisms of monolayer β-bismuthene
Bismuthene has opened up a new avenue in the field of nanotechnology because of its
spectacular electronic and thermoelectric features. The strong spin–orbit-coupling enables …
spectacular electronic and thermoelectric features. The strong spin–orbit-coupling enables …
Application of drag-reducing polymers in Forest firefighting: Effects on wood properties and mechanism study
J Wang, J Meng, C Lyu, Y Lyu, L Wang - Surfaces and Interfaces, 2024 - Elsevier
Based on the successful utilization of polymer additives in drag reduction for long-distance
transportation and the intricacies of their application in firefighting contexts, this study …
transportation and the intricacies of their application in firefighting contexts, this study …
Temperature-and defect-induced uniaxial tensile mechanical behaviors and the fracture mechanism of two-dimensional silicon germanide
Recently, monolayer silicon germanide (SiGe), a newly explored buckled honeycomb
configuration of silicon and germanium, is predicted to be a promising nanomaterial for next …
configuration of silicon and germanium, is predicted to be a promising nanomaterial for next …