Computational methods to simulate molten salt thermophysical properties
T Porter, MM Vaka, P Steenblik… - Communications …, 2022 - nature.com
Molten salts are important thermal conductors used in molten salt reactors and solar
applications. To use molten salts safely, accurate knowledge of their thermophysical …
applications. To use molten salts safely, accurate knowledge of their thermophysical …
Polarization effects in ionic solids and melts
Ionic solids and melts are compounds in which the interactions are dominated by
electrostatic effects. However, the polarization of the ions also plays an important role in …
electrostatic effects. However, the polarization of the ions also plays an important role in …
Thermodynamic and transport properties of LiF and FLiBe molten salts with deep learning potentials
Molten salts have attracted interest as potential heat carriers and/or fuel solvents in the
development of new Gen IV nuclear reactor designs, high-temperature batteries, and …
development of new Gen IV nuclear reactor designs, high-temperature batteries, and …
Synergetic enhancement of heat storage density and heat transport ability of phase change materials inlaid in 3D hierarchical ceramics
Phase change materials (PCMs) based thermal energy storage techniques are promising to
bridge the gap between thermal energy demand and intermittent supply. However, the low …
bridge the gap between thermal energy demand and intermittent supply. However, the low …
[BOOK][B] Nonequilibrium molecular dynamics: theory, algorithms and applications
Written by two specialists with over twenty-five years of experience in the field, this valuable
text presents a wide range of topics within the growing field of nonequilibrium molecular …
text presents a wide range of topics within the growing field of nonequilibrium molecular …
Insights into the thermophysical properties and heat conduction enhancement of NaCl-Al2O3 composite phase change material by molecular dynamics simulation
W Zhou, Z Yang, Y Feng, L Lin - International Journal of Heat and Mass …, 2022 - Elsevier
In concentrated solar power (CSP) applications, the thermal energy storage (TES) system
with molten salt is widely utilized. However, molten salts usually suffer from relatively low …
with molten salt is widely utilized. However, molten salts usually suffer from relatively low …
Superior thermal energy storage performance of NaCl-SWCNT composite phase change materials: A molecular dynamics approach
Molten salts are attractive candidate materials used for effective thermal energy transfer and
storage, which can be applied in the concentrating solar power (CSP) system at high …
storage, which can be applied in the concentrating solar power (CSP) system at high …
[BOOK][B] Molecular simulations: fundamentals and practice
S Alavi - 2020 - books.google.com
Provides hands-on knowledge enabling students of and researchers in chemistry, biology,
and engineering to perform molecular simulations This book introduces the fundamentals of …
and engineering to perform molecular simulations This book introduces the fundamentals of …
Molecular dynamics simulation of thermophysical properties of NaCl-SiO2 based molten salt composite phase change materials
Y Yu, Y Tao, YL He - Applied Thermal Engineering, 2020 - Elsevier
It is urgently needed to improve the thermal properties of molten salt based phase change
materials used for effective storage and utilization of solar energy. In this paper, the physical …
materials used for effective storage and utilization of solar energy. In this paper, the physical …
Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the …
MM Reif, PH Hünenberger - The Journal of chemical physics, 2011 - pubs.aip.org
A companion article has been published: Computation of methodology-independent single-
ion solvation properties from molecular simulations. III. Correction terms for the solvation free …
ion solvation properties from molecular simulations. III. Correction terms for the solvation free …