Nanoscale study of boiling and evaporation in a liquid Ar film on a Pt heater using molecular dynamics simulation

A Hens, R Agarwal, G Biswas - International Journal of Heat and Mass …, 2014 - Elsevier
Molecular dynamics simulations have been conducted to understand the mechanism for
bubble formation on a platinum substrate with particular emphasis on the surface texture …

Formation of methane nano-bubbles during hydrate decomposition and their effect on hydrate growth

SA Bagherzadeh, S Alavi, J Ripmeester… - The Journal of chemical …, 2015 - pubs.aip.org
Molecular dynamic simulations are performed to study the conditions for methane nano-
bubble formation during methane hydrate dissociation in the presence of water and a …

Explosive boiling of water films based on molecular dynamics simulations: Effects of film thickness and substrate temperature

M Ilic, VD Stevanovic, S Milivojevic… - Applied Thermal …, 2023 - Elsevier
This paper deals with investigations of mechanisms governing explosive boiling of water
films on hot copper substrate with plain surface. The investigations are based on results of …

Influences of nanobubbles on particle–particle and bubble-particle interactions: A review

N Dutta, S Mitra, N Nirmalkar - Chemical Engineering Research and Design, 2024 - Elsevier
The investigation of the interactions between particles resulting from long-range
hydrophobic forces has been thoroughly studied in the literature. The hydrophobic force is …

Bubble nucleation on grooved surfaces with hybrid wettability: molecular dynamics study under a transient temperature boundary condition

H Zhao, L Zhou, X Du - International Journal of Heat and Mass Transfer, 2021 - Elsevier
Mechanisms of bubble nucleation need a better understanding, especially for
heterogeneous surfaces with different wettability. In this study, the bubble nucleation and the …

New insights into physics of explosive water boiling derived from molecular dynamics simulations

M Ilic, VD Stevanovic, S Milivojevic… - International Journal of …, 2021 - Elsevier
In this paper the dynamics of explosive boiling of a 72 Å thick water film on the hot copper
substrate with the plain surface is analysed. The analyses are based on the results of …

Stability and cavitation of nanobubble: Insights from large-scale atomistic molecular dynamics simulations

VH Man, MS Li, P Derreumaux… - The Journal of Chemical …, 2024 - pubs.aip.org
We perform large-scale atomistic simulations of a system containing 12× 10 6 atoms,
comprising an oxygen gas-filled bubble immersed in water, to understand the stability and …

Novel Scaffold Agonists of the α2A Adrenergic Receptor Identified via Ensemble-Based Strategy

S Sun, P Li, J Wang, D Zhao, T Yang, P Zhou, R Su… - Molecules, 2024 - mdpi.com
The α2A adrenergic receptor (α2A-AR) serves as a critical molecular target for sedatives and
analgesics. However, α2A-AR ligands with an imidazole ring also interact with an …

[HTML][HTML] Rayleigh-Plesset equation of the bubble stable cavitation in water: A nonequilibrium all-atom molecular dynamics simulation study

VH Man, MS Li, P Derreumaux… - The Journal of Chemical …, 2018 - pubs.aip.org
The Rayleigh-Plesset (RP) equation was derived from the first principles to describe the
bubble cavitation in liquids in terms of macroscopic hydrodynamics. A number of …

A molecular dynamics study of thin water layer boiling on a plate with mixed wettability and nonlinearly increasing wall temperature

H Zhao, L Zhou, X Du - Journal of Molecular Liquids, 2024 - Elsevier
This paper introduces a molecular dynamics investigation of the influence of mixed-
wettability on the boiling of a water layer over a flat plate surface with nonlinearly increasing …