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 …
Accurate fourth-generation machine learning potentials by electrostatic embedding
In recent years, significant progress has been made in the development of machine learning
potentials (MLPs) for atomistic simulations with applications in many fields from chemistry to …
potentials (MLPs) for atomistic simulations with applications in many fields from chemistry to …
Modeling chemical reactions in alkali carbonate–hydroxide electrolytes with deep learning potentials
We developed a deep potential machine learning model for simulations of chemical
reactions in molten alkali carbonate-hydroxide electrolyte containing dissolved CO2, using …
reactions in molten alkali carbonate-hydroxide electrolyte containing dissolved CO2, using …
Thermophysical properties of FLiBe using moment tensor potentials
Fluoride salts are prospective materials for applications in some next-generation nuclear
reactors and their thermophysical properties at various conditions are of interest …
reactors and their thermophysical properties at various conditions are of interest …
Insights into the local structure evolution and thermophysical properties of NaCl–KCl–MgCl 2–LaCl 3 melt driven by machine learning
J Zhao, T Feng, G Lu, J Yu - Journal of Materials Chemistry A, 2023 - pubs.rsc.org
The acceleration of the development and breakthrough of molten salt electrolytic preparation
for Mg–La alloys can be facilitated by gaining insights into the local structure evolution and …
for Mg–La alloys can be facilitated by gaining insights into the local structure evolution and …
Thermophysical properties of Molten FLiNaK: A moment tensor potential approach
Fluoride salts demonstrate significant potential for applications in next-generation nuclear
reactors, necessitating a comprehensive understanding of their thermophysical properties …
reactors, necessitating a comprehensive understanding of their thermophysical properties …
Complex Structure of Molten FLiBe (2–) Examined by Experimental Neutron Scattering, X-Ray Scattering, and Deep-Neural-Network Based Molecular …
The use of molten salts as coolants, fuels, and tritium breeding blankets in the next
generation of fission and fusion nuclear reactors benefits from furthering the characterization …
generation of fission and fusion nuclear reactors benefits from furthering the characterization …
Fitting the pair potentials for molten salts: A review in brief
DO Zakiryanov - Electrochemical Materials and Technologies, 2023 - journals.urfu.ru
In vitro and in silico studies should supplement each other in order to obtain reliable and
comprehensive data on physicochemical properties of molten salts. To attain the aim, the …
comprehensive data on physicochemical properties of molten salts. To attain the aim, the …
Composition-transferable machine learning potential for LiCl-KCl molten salts validated by high-energy x-ray diffraction
Unraveling the liquid structure of multicomponent molten salts is challenging due to the
difficulty in conducting and interpreting high-temperature diffraction experiments. Motivated …
difficulty in conducting and interpreting high-temperature diffraction experiments. Motivated …
An ab initio molecular dynamics study of varied compositions of the LiF-NaF-KF molten salt
V Heyl, B Beeler - Journal of Nuclear Materials, 2023 - Elsevier
With increasing interest in molten salt reactors, there becomes a demand for investigations
into thermophysical properties of salt systems. The LiF-NaF-KF (FLiNaK) salt system is a …
into thermophysical properties of salt systems. The LiF-NaF-KF (FLiNaK) salt system is a …