Related references
Note: Only part of the references are listed.Machine-Learning-Driven Simulations on Microstructure and Thermophysical Properties of MgCl2-KCl Eutectic
Wenshuo Liang et al.
ACS APPLIED MATERIALS & INTERFACES (2021)
Thermophysical Properties Experimentally Tested for NaCl-KCl-MgCl2 Eutectic Molten Salt as a Next-Generation High-Temperature Heat Transfer Fluids in Concentrated Solar Power Systems
Xiaoxin Wang et al.
JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME (2021)
Ab initio molecular dynamics assessment of thermodynamic and transport properties in (K,Li)Cl and (K, Na)Cl molten salt mixtures
Manh-Thuong Nguyen et al.
JOURNAL OF MOLECULAR LIQUIDS (2021)
A new approach for coupled modelling of the structural and thermo-physical properties of molten salts. Case of a polymeric liquid LiF-BeF2
A. L. Smith et al.
JOURNAL OF MOLECULAR LIQUIDS (2020)
First-principles molecular dynamics simulations on the local structure and thermo-kinetic properties of molten magnesium chloride
Wenshuo Liang et al.
JOURNAL OF MOLECULAR LIQUIDS (2020)
Connections between the Speciation and Solubility of Ni(II) and Co(II) in Molten ZnCl2
Simerjeet K. Gill et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2020)
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
Thomas D. Kuehne et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
TRAVIS-A free analyzer for trajectories from molecular simulation
M. Brehm et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
The structure of molten FLiNaK *
Benjamin A. Frandsen et al.
JOURNAL OF NUCLEAR MATERIALS (2020)
Temperature Dependence of Short and Intermediate Range Order in Molten MgCl2 and Its Mixture with KCl
Fei Wu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2020)
Composition-dependent microstructure evolution in liquid MgCl2-KCl: A first-principles molecular dynamics study
Wenshuo Liang et al.
JOURNAL OF MOLECULAR LIQUIDS (2020)
Insight into dynamic interaction of molten MgCl2-NaCl-KCl with impurity water via FPMD simulations
Xuejiao Li et al.
JOURNAL OF MOLECULAR LIQUIDS (2020)
SEM-Drude Model for the Accurate and Efficient Simulation of MgCl2-KCl Mixtures in the Condensed Phase
Shobha Sharma et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2020)
Powerful predictability of FPMD simulations for the phase transition behavior of NaCl-MgCl2 eutectic salt
Tingrui Xu et al.
SOLAR ENERGY (2020)
Ab-initio molecular dynamics calculation on microstructures and thermophysical properties of NaCl-CaCl2-MgCl2 for concentrating solar power
Zhenzhou Rong et al.
SOLAR ENERGY MATERIALS AND SOLAR CELLS (2020)
Molecular Dynamics Simulations of Molten Magnesium Chloride Using Machine-Learning-Based Deep Potential
Wenshuo Liang et al.
ADVANCED THEORY AND SIMULATIONS (2020)
Structure and dynamics of the molten alkali-chloride salts from an X-ray, simulation, and rate theory perspective
Santanu Roy et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Fluid Structure of Molten LiCl-Li Solutions
Jicheng Guo et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2019)
Elucidating Ionic Correlations Beyond Simple Charge Alternation in Molten MgCl2-KCI Mixtures
Fei Wu et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)
Voronoi dipole moments for the simulation of bulk phase vibrational spectra
Martin Thomas et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Strongly Constrained and Appropriately Normed Semilocal Density Functional
Jianwei Sun et al.
PHYSICAL REVIEW LETTERS (2015)
Raman spectra from ab initio molecular dynamics and its application to liquid S-methyloxirane
Sandra Luber et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
CP2K: atomistic simulations of condensed matter systems
Juerg Hutter et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2014)
Computing vibrational spectra from ab initio molecular dynamics
Martin Thomas et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
The effects of topology on the structural, dynamic and mechanical properties of network-forming materials
Mark Wilson
JOURNAL OF PHYSICS-CONDENSED MATTER (2012)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Auxiliary Density Matrix Methods for Hartree-Fock Exchange Calculations
Manuel Guidon et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Structure of liquid and glassy ZnCl2
Anita Zeidler et al.
PHYSICAL REVIEW B (2010)
Calculations of the thermal conductivities of ionic materials by simulation with polarizable interaction potentials
Norikazu Ohtori et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
A versatile sample-environment cell for non-ambient X-ray scattering experiments
Peter J. Chupas et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2008)
Polyamorphism and the evolution of intermediate-range order in molten ZnCl2
Bevan K. Sharma et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2008)
Fluctuating ionic polarizabilities in the condensed phase: first-principles calculations of the Raman spectra of ionic melts
Robert J. Heaton et al.
MOLECULAR PHYSICS (2008)
Molten salts and nuclear energy production
Christian Le Brun
JOURNAL OF NUCLEAR MATERIALS (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Raman spectra of ionic liquids: Interpretation via computer simulation
PA Madden et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Solvent effects on electronic properties from Wannier functions in a dimethyl sulfoxide/water mixture
B Kirchner et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Raman spectra of ionic liquids:: A simulation study of LaCl3 and its mixtures with alkali chlorides
WJ Glover et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
The structure of molten ZnCl2 and MgCl2
L Pusztai et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2001)
The modified quasi-chemical model: Part IV. Two-sublattice quadruplet approximation
AD Pelton et al.
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE (2001)
Share Paper
