Ab-initio molecular dynamics study on thermal property of NaCl–CaCl2 molten salt for high-temperature heat transfer and storage

Enhanced heat conduction in molten salt containing nanoparticles: Insights from molecular dynamics

(2020) Zhao Li et al.   INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

Effect of nanoparticles in molten salts – MD simulations and experimental study

(2020) Adela Svobodova-Sedlackova et al.   RENEWABLE ENERGY

Heat and mass transportation properties of binary chloride salt as a high-temperature heat storage and transfer media

(2020) Wenjun Xie et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

First-principles molecular dynamics simulation of the ionic structure and electronic properties of Na3AlF6 molten salt

(2019) Jie Li et al.   CHEMICAL PHYSICS LETTERS

Preparation and enhanced thermal conductivity of molten salt nanofluids with nearly unaltered viscosity

(2019) Xiaolan Wei et al.   RENEWABLE ENERGY

Probing thermal decomposition mechanism of molten nitrite/nitrates salt by time of flight mass spectrometry

(2019) Zejie Fei et al.   SOLAR ENERGY

Molten chloride salts for next generation concentrated solar power plants: Mitigation strategies against corrosion of structural materials

(2019) Wenjin Ding et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Mainstreaming commercial CSP systems: A technology review

(2019) Angel G. Fernández et al.   RENEWABLE ENERGY

First-principles molecular dynamics simulations on the local structure and thermo-kinetic properties of molten magnesium chloride

(2019) Wenshuo Liang et al.   JOURNAL OF MOLECULAR LIQUIDS

Molecular dynamics simulations of structural and transport properties of molten NaCl-UCl3 using the polarizable-ion model

(2019) Bo Li et al.   JOURNAL OF MOLECULAR LIQUIDS

First-principles molecular dynamics study of ionic structure and transport properties of LiF-NaF-AlF 3 molten salt

(2018) Xiaojun Lv et al.   CHEMICAL PHYSICS LETTERS

On the occurrence of size effects in the calculation of thermal conductivity by first-principles molecular dynamics: The case of glassy GeTe 4

(2018) Evelyne Martin et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Insight into the viscosity enhancement ability of Ca(NO3)2 on the binary molten nitrate salt: a molecular dynamics simulation study

(2018) Haiou Ni et al.   CHEMICAL ENGINEERING JOURNAL

Effect of the impurity magnesium nitrate in the thermal decomposition of the solar salt

(2018) Cristina Prieto et al.   SOLAR ENERGY

State of the art on the high-temperature thermochemical energy storage systems

(2018) Xiaoyi Chen et al.   ENERGY CONVERSION AND MANAGEMENT

Polarizable force field parameterization and theoretical simulations of ThCl4 -LiCl molten salts

(2018) Jian-Biao Liu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular dynamics simulations of the thermodynamic properties and local structures on molten alkali carbonate Na2CO3

(2018) Lichan Du et al.   INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

First-principles molecular dynamics modeling of UCl 3 in LiCl-KCl eutectic

(2017) Jia Song et al.   JOURNAL OF MOLECULAR LIQUIDS

Thermal conductivity of glassy GeTe4 by first-principles molecular dynamics

(2017) Assil Bouzid et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Enhanced specific heat capacity of binary chloride salt by dissolving magnesium for high-temperature thermal energy storage and transfer

(2017) Heqing Tian et al.   Journal of Materials Chemistry A

First principles study of the thermodynamic and kinetic properties of U in an electrorefining system using molybdenum cathode and LiCl-KCl eutectic molten salt

(2016) Choah Kwon et al.   ELECTROCHIMICA ACTA

Preparation of binary eutectic chloride/expanded graphite as high-temperature thermal energy storage materials

(2016) Heqing Tian et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Model for thermal conductivity in nanoporous silicon from atomistic simulations

(2015) Riccardo Dettori et al.   PHYSICAL REVIEW B

Recommended values for the thermal conductivity of molten salts between the melting and boiling points

(2014) Aïmen E. Gheribi et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

First-principles molecular dynamics modeling of the LiCl–KCl molten salt system

(2013) Amelia Bengtson et al.   COMPUTATIONAL MATERIALS SCIENCE

Thermal conductivity from approach-to-equilibrium molecular dynamics

(2013) E. Lampin et al.   JOURNAL OF APPLIED PHYSICS

Car-Parrinello molecular dynamics

(2011) Jürg Hutter   Wiley Interdisciplinary Reviews-Computational Molecular Science

The van Hove distribution function for Brownian hard spheres: Dynamical test particle theory and computer simulations for bulk dynamics

(2010) Paul Hopkins et al.   JOURNAL OF CHEMICAL PHYSICS

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY