Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF4 Molten Salt

R Chahal, S Roy, M Brehm, S Banerjee, V Bryantsev… - JACS Au, 2022 - ACS Publications
LiF–NaF–ZrF4 multicomponent molten salts are promising candidate coolants for advanced
clean energy systems owing to their desirable thermophysical and transport properties …

Complex Structure of Molten FLiBe (2) Examined by Experimental Neutron Scattering, X-Ray Scattering, and Deep-Neural-Network Based Molecular …

S Fayfar, R Chahal, H Williams, DN Gardner, G Zheng… - PRX Energy, 2024 - APS
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 …

Influence of ZrF4 additive on the local structures and thermophysical properties of molten NaF-BeF2

X Li - Journal of Molecular Liquids, 2024 - Elsevier
Abstract Molten NaF-BeF 2 (FNaBe) eutectic salt containing a small amount of ZrF 4 additive
has attracted extensive attention in the application of fuel salt carriers for the Gen IV nuclear …

Insights on the microstructural correlations of density and specific heat capacity for halophilic fission products and NaF-BeF2 molten mixtures

X Li, R Cui, Y Song, Y Gong - Journal of Nuclear Materials, 2024 - Elsevier
ABSTRACT A comprehensive study by integrating first principles molecular dynamic (FPMD)
simulations and differential scanning calorimetry (DSC) experiments on the physicochemical …

X-ray and molecular dynamics study of the temperature-dependent structure of molten NaF-

A Wadehra, R Chahal, S Banerjee, A Levy, Y Zhang… - Physical Review …, 2024 - APS
The local atomic structure of NaF-Zr F 4 (53–47 mol%) molten system and its evolution with
temperature are examined with x-ray scattering measurements which are then used to …

Collective modes in molten CsCl, CuCl and AgI observed by inelastic x-ray scattering

M Inui, Y Kajihara, S Hosokawa, K Matsuda… - Journal of Molecular …, 2023 - Elsevier
Inelastic x-ray scattering measurements have been carried out for molten CuCl and AgI and
the results were compared with those in molten CsCl by Inui et al.(2007)[42]. The inelastic …

[HTML][HTML] Density and volume properties of MF-K2ZrF6 (M= Li, Na, and K)

J Mlynáriková, M Boča - Journal of Molecular Liquids, 2024 - Elsevier
Critical evaluation of volume properties (based on density measurements using
Archimedean method) of the zirconium-based fluorides melts MF-K 2 ZrF 6 (M= Li, Na, and …

ab initio informed inelastic neutron scattering for time-resolved local dynamics in molten MgCl2

S Banerjee, R Chahal, AS Ivanov, S Roy… - arXiv preprint arXiv …, 2023 - arxiv.org
Ion dynamics that drive the transport and thermophysical properties of molten salts are
poorly understood due to challenges in precisely quantifying the spatial and temporal …

Revealing the complex structure of molten FLiBe (2LiF− BeF2) by experimental x-ray scattering, neutron scattering, and deep neural network-based molecular …

S Fayfar, R Chahal, H Williams, DN Gardner, G Zheng… - 2023 - chemrxiv.org
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 …

[PDF][PDF] doi. org/10.13182/T126-38444

R Chahal, ST Lam - researchgate.net
Selected compositions of LiF–NaF–ZrF4 salts have been identified as ideal candidates for
coolant applications in the advanced high temperature reactor (AHTR) and Molten Salt …