Towards the thorium fuel cycle with molten salt fast reactors
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February 2014 |
Safety assessment of molten salt reactors in comparison with light water reactors
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October 2013 |
Molten salt reactors and electrochemical reprocessing: synthesis and chemical durability of potential waste forms for metal and salt waste streams
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August 2020 |
Prediction of dynamics properties of ThF4-based fluoride molten salts by molecular dynamic simulation
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November 2020 |
Molecular dynamics simulation of the thermodynamic and transport properties of the molten salt fast reactor fuel LiF–ThF4
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March 2013 |
Including many-body effects in models for ionic liquids
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February 2012 |
A First-Principles Description of Liquid BeF 2 and Its Mixtures with LiF: 2. Network Formation in LiF−BeF 2
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June 2006 |
Diffusion coefficients and local structure in basic molten fluorides: in situ NMR measurements and molecular dynamics simulations
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January 2009 |
Transport coefficients and the Stokes–Einstein relation in molten alkali halides with polarisable ion model
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May 2015 |
Polarization effects in ionic solids and melts
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October 2011 |
Thermal Conductivity of Molten Alkali Metal Fluorides (LiF, NaF, KF) and Their Mixtures
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January 2014 |
First-principles molecular dynamics modeling of the molten fluoride salt with Cr solute
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June 2014 |
The impact of hydrogen valence on its bonding and transport in molten fluoride salts
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January 2021 |
Modeling LiF and FLiBe Molten Salts with Robust Neural Network Interatomic Potential
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May 2021 |
Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics
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April 2018 |
Structure and transport properties of LiF–BeF2 mixtures: Comparison of rigid and polarizable ion potentials#
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January 2012 |
Recommended values for the thermal conductivity of molten salts between the melting and boiling points
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July 2014 |
Evaluating physical properties of molten salt reactor fluoride mixtures
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January 2009 |
Prediction of the thermophysical properties of molten salt fast reactor fuel from first-principles
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February 2014 |
Molecular Dynamics Simulations of the Local Structures and Transport Coefficients of Molten Alkali Chlorides
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August 2014 |
DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics
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July 2018 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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March 1995 |
Rigid-ion models of the interionic potential in the alkali halides
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August 1974 |
A molecular dynamics study of the transport properties of LiF-BeF 2 -ThF 4 molten salt
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May 2017 |
Spatial density neural network force fields with first-principles level accuracy and application to thermal transport
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July 2020 |
Thermal conductivity of molten alkali halides: Temperature and density dependence
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January 2009 |
A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer
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January 2021 |
A new approach for coupled modelling of the structural and thermo-physical properties of molten salts. Case of a polymeric liquid LiF-BeF2
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February 2020 |
Molecular dynamics simulation of diffusion and viscosity of liquid lithium fluoride
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January 2016 |
Thermal conductivity of molten alkali halides from equilibrium molecular dynamics simulations
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May 2004 |
Equilibrium and nonequilibrium molecular dynamics simulations of the thermal conductivity of molten alkali halides
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May 2007 |
Atomistic Insights on the Full Operation Cycle of a HfO 2 -Based Resistive Random Access Memory Cell from Molecular Dynamics
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July 2021 |
Reliable Viscosity Calculation from Equilibrium Molecular Dynamics Simulations: A Time Decomposition Method
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July 2015 |
Viscosity of Alkali Fluoride Ionic Melts at Temperatures up to 373.15 K above Melting Points
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September 2014 |
Viscosity of LiF-BeF2 eutectic mixture () and LiF single salt at elevated temperatures
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September 1981 |
wACSF—Weighted atom-centered symmetry functions as descriptors in machine learning potentials
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June 2018 |
86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy
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February 2021 |
Active learning of uniformly accurate interatomic potentials for materials simulation
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February 2019 |