Achievements and prospects of molecular dynamics simulations in thermofluid sciences

Y Ran, V Bertola - Energies, 2024 - mdpi.com
In the last decades, molecular dynamics (MD) simulations established as an important tool
for solving fluid flow and heat transfer problems at the nanoscale, with a significant …

Surface wettability effects on evaporating meniscus in nanochannels

M Ozsipahi, Y Akkus, A Beskok - International Communications in Heat and …, 2022 - Elsevier
Systematic investigations of self-regulation of evaporating menisci in nanochannels are
conducted as a function of the surface wettability under various applied heat flux conditions …

A first look at the performance of nano-grooved heat pipes

Y Akkus, CT Nguyen, AT Celebi, A Beskok - International Journal of Heat …, 2019 - Elsevier
Passive thermal spreaders utilizing liquid/vapor phase-change mechanism such as heat
pipes, have been widely used in the macro-scale thermal management of electronic devices …

Mesoscale simulations on the ultrahigh heat flux evaporation of R143a within ultrathin nanoporous membrane using a modified dimensionless lattice Boltzmann …

W Zheng, J Li, F Hong, S Gong, P Cheng - International Journal of Heat and …, 2022 - Elsevier
A modified dimensionless pseudo-potential lattice Boltzmann method capable of restoring
all related thermophysical properties of any working fluid and spatial/temporal scales of the …

Nanoscale meniscus dynamics in evaporating thin films: insights from molecular dynamics simulations

M Ozsipahi, A Beskok - Langmuir, 2023 - ACS Publications
Evaporation studies are focused on unraveling heat transfer and flow dynamics near the
solid–liquid–vapor contact line, particularly focusing on the meniscus, which encompasses …

Atomic scale interfacial transport at an extended evaporating meniscus

Y Akkus, A Koklu, A Beskok - Langmuir, 2019 - ACS Publications
Recent developments in fabrication techniques have enabled the production of nano-and
Ångström-scale conduits. While scientists are able to conduct experimental studies to …

Drifting mass accommodation coefficients: in situ measurements from a steady state molecular dynamics setup

Y Akkus, AT Gurer, K Bellur - Nanoscale and Microscale …, 2021 - Taylor & Francis
ABSTRACT A fundamental understanding of the evaporation/condensation phenomena is
vital to many fields of science and engineering, yet there is many discrepancies in the usage …

Evaporation from nanoscale thin films and menisci: Experiments, theories, and simulations

M Ozsipahi, AA Wilson, VS Ajaev… - Advances in Heat …, 2024 - books.google.com
2 2 3 6 3. Continuum modeling 9 3.1 Equilibrium conditions 9 3.2 Evaporating menisci 13
3.3 Non-equilibrium effects 14 4. Molecular dynamics 16 4.1 Introduction to molecular …

Energy-based interface detection for phase change processes of monatomic fluids in nanoconfinements

M Ozsipahi, Y Akkus, CT Nguyen… - The Journal of Physical …, 2021 - ACS Publications
An energy-based liquid–vapor interface detection method is presented using molecular
dynamics simulations of liquid menisci confined between two parallel plates under …

[PDF][PDF] Machine learned coarse grain water models for evaporation studies

S Yesudasan, R Averett, S Chacko - Preprints, 2020 - preprints.org
Evaporation studies of water using classical molecular dynamics simulations are largely
limited due to its high computational expense. We aim at addressing the computational …