Recent advances of molecular dynamics simulations in nanotribology

I Srivastava, A Kotia, SK Ghosh, MKA Ali - Journal of Molecular Liquids, 2021 - Elsevier
To improve the efficiency of a machinery component, it is necessary to enhance the quality
of lubricants. Lubricants help to reduce the friction and wear between the two surfaces which …

Molecular dynamics simulations of phase change materials for thermal energy storage: a review

H Tafrishi, S Sadeghzadeh, R Ahmadi - RSC advances, 2022 - pubs.rsc.org
Phase change materials (PCM) have had a significant role as thermal energy transfer fluids
and nanofluids and as media for thermal energy storage. Molecular dynamics (MD) …

Suitability and characteristics of rocks for sensible heat storage in CSP plants

R Tiskatine, R Oaddi, RA El Cadi, A Bazgaou… - Solar Energy Materials …, 2017 - Elsevier
High temperature thermal energy storage (TES) is a crucial technology ensuring continuous
generation of power from solar energy and plays a major role in the industrial field …

Molecular dynamics simulation of thermal and phonon transport characteristics of nanocomposite phase change material

CY Zhao, YB Tao, YS Yu - Journal of Molecular Liquids, 2021 - Elsevier
Nanomaterials have been widely used to prepare nanocomposite phase change material
(NPCM) and enhance its thermal conductivity. However, most of the studies are mainly …

The phase change property of lauric acid confined in carbon nanotubes as nano-encapsulated phase change materials

S Wu, X Ma, D Peng, Y Bi - Journal of Thermal Analysis and Calorimetry, 2019 - Springer
Lauric acid (LA) impregnates in carbon nanotubes (CNTs), resulting in nano-encapsulated
phase change materials (PCMs). TEM and DSC results both indicate that the filling of LA into …

Towards high-performance polydimethylsiloxane-based materials for thermal management: A molecular dynamics study

G Zhao, M Zhang, X Chen - … Communications in Heat and Mass Transfer, 2024 - Elsevier
To efficiently design high-performance polymer-based thermal interface material (TIM), it is
imperative to investigate how microstructural influences thermal transport. Utilizing …

Development of a novel sulphoalumitate cement-based composite combing fine steel fibers and phase change materials for thermal energy storage

G Sang, Y Cao, M Fan, G Lu, Y Zhu, Q Zhao, X Cui - Energy and Buildings, 2019 - Elsevier
To increase the mechanical strength and thermal energy storage/release efficiency, fine
steel fibers and graphite-modified shape stabilized phase change materials (GM-SSPCM) …

Molecular dynamics simulations on the heat and mass transfer of hypercrosslinked shell structure of phase change nanocapsules as thermal energy storage materials

X Liu, Z Rao - International Journal of Heat and Mass Transfer, 2019 - Elsevier
Four different trihydroxy crosslinkers were respectively used to construct molecular models
of hypercrosslinked polyurethanes as shell materials of phase change nanocapsules for …

Preparation and thermal properties of low melting point alloy/expanded graphite composite phase change materials used in solar water storage system

L Liu, J Chen, Y Qu, T Xu, H Wu, X Zhou… - Solar Energy Materials …, 2019 - Elsevier
The focused solar water heating system can automatically adjust its focus according to the
solar angle for higher heating rate and source temperature. One of the major challenges for …

Transport properties of waxy crude oil: A molecular dynamics simulation study

X Chen, L Hou, X Wei, D Bedrov - ACS omega, 2020 - ACS Publications
To study the effects of paraffin on viscosity of waxy crude oil and transport properties of small
molecules, light and waxy crude oil models were investigated at atmospheric pressure and …