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Read on this site (16)
Yoshiki Ishii, Satoshi Kasai, Mathieu Salanne & Norikazu Ohtori. (2015) Transport coefficients and the Stokes–Einstein relation in molten alkali halides with polarisable ion model. Molecular Physics 113:17-18, pages 2442-2450.
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Bernard Ancian, Olivier Bernard, Jean Chevalet, Vincent Dahirel, Didier Devilliers, Emmanuelle Dubois, Jean-François Dufrêche, Serge Durand-Vidal, Henri Groult, Marie Jardat, Frédéric Lantelme, Natalie Malikova, Virginie Marry, Guillaume Mériguet, Régine Perzynski, Anne-Laure Rollet, Benjamin Rotenberg, Mathieu Salanne & Christian Simon. (2014) Pierre Turq, an inspirational scientist in charge and at interfaces. Molecular Physics 112:9-10, pages 1213-1221.
Read now
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Mathieu Salanne & Paul
A. Madden. (2011) Polarization effects in ionic solids and melts. Molecular Physics 109:19, pages 2299-2315.
Read now
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J. Blétry. (1990) Sphere and distance models for binary disordered systems. Philosophical Magazine B 62:5, pages 469-508.
Read now
Read now
Long-Qing Chen & G. Kalonji. (1989) Structure and dynamic properties of twist boundaries in NaCl through a molecular dynamics study. Philosophical Magazine A 60:6, pages 525-544.
Read now
Read now
A. Laaksonen & E. Clementi. (1985) Theoretical study of some gas, liquid and crystal properties of sodium chloride using ab initio potentials. Molecular Physics 56:3, pages 495-524.
Read now
Read now
J.E. Enderby. (1983) Neutron scattering and the structure of liquids. Contemporary Physics 24:6, pages 561-575.
Read now
Read now
J.E. Enderby & G.W. Neilson. (1980) Structural properties of ionic liquids. Advances in Physics 29:2, pages 323-365.
Read now
Read now
L.B. Bhuiyan. (1979) Structure of molten alkaline-earth halides; SrCl2 and CaF2
. Molecular Physics 38:6, pages 1737-1747.
Read now
Read now
Frédéric Lantelme & Pierre Turq. (1979) Structure and diffusion in mixtures of ionic liquids. Molecular Physics 38:4, pages 1003-1014.
Read now
Read now
SimonW. de Leeuw. (1978) Computer simulation of alkaline earth halides. Molecular Physics 36:3, pages 765-772.
Read now
Read now
SimonW. de Leeuw. (1978) Computer simulation of alkaline earth halides. Molecular Physics 36:1, pages 103-111.
Read now
Read now
M.C. Abramo, C. Caccamo & G. Pizzimenti. (1977) Thermodynamics and structure of charged hard-sphere fluids in the mean spherical model. Physics and Chemistry of Liquids 6:3, pages 167-188.
Read now
Read now
M.J.L. Sangster & M. Dixon. (1976) Interionic potentials in alkali halides and their use in simulations of the molten salts. Advances in Physics 25:3, pages 247-342.
Read now
Read now
Frederic Lantelme, Pierre Turq & Peter Schofield. (1976) Mass effects and transport properties in classical fluids: A molecular dynamics experiment on fused NaCl. Molecular Physics 31:4, pages 1085-1101.
Read now
Read now
M. Dixon & M.J. L. Sangster. (1976) Density and ion size effects in polarisable models of molten KI. Physics and Chemistry of Liquids 5:3, pages 221-236.
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Xueming Yang, Chang Ji, Jieting Liu, YongFu Ma & Bingyang Cao. (2023) New insights into the heat capacity enhancement of nano-SiO2 doped alkali metal chloride molten salt for thermal energy storage: A molecular dynamics study. Journal of Energy Storage 63, pages 107015.
Crossref
Crossref
Zetan Liu, Jingkun Xu, Xiaoqing Xi, Weijia Luo & Ji Zhou. (2023) Molten salt dynamic sealing synthesis of MAX phases (Ti3AlC2, Ti3SiC2 et al.) powder in air. Ceramics International 49:1, pages 168-178.
Crossref
Crossref
Fei Liang, Xiaolan Wei, Jianfeng Lu, Jing Ding & Shule Liu. (2022) Interplay between interfacial layer and nanoparticle dispersion in molten salt nanofluid: Collective effects on thermophysical property enhancement revealed by molecular dynamics simulations. International Journal of Heat and Mass Transfer 196, pages 123305.
Crossref
Crossref
Haiming Long, Yunkun Lu, Liang Chang, Haifeng Zhang, Jingcen Zhang, Gaoqun Zhang & Junjie Hao. (2022) Molecular Dynamics Simulation of Thermophysical Properties and the Microstructure of Na2CO3 Heat Storage Materials. Energies 15:19, pages 7080.
Crossref
Crossref
Yan Li, Weichun Tie, Wangwang Tan & Qunzhi Zhu. (2022) Molecular dynamics simulation of thermophysical properties of NaCl-KCl phase change materials applied to concentrating solar power. Journal of Energy Storage 52, pages 104707.
Crossref
Crossref
Weiguang Zhou, Yanping Zhang & Mathieu Salanne. (2022) Effects of fluoride salt addition to the physico-chemical properties of the MgCl2–NaCl–KCl heat transfer fluid: A molecular dynamics study. Solar Energy Materials and Solar Cells 239, pages 111649.
Crossref
Crossref
Luciano G. Silvestri, Lucas J. Stanek, Gautham Dharuman, Yongjun Choi & Michael S. Murillo. (2022) Sarkas: A fast pure-python molecular dynamics suite for plasma physics. Computer Physics Communications 272, pages 108245.
Crossref
Crossref
Jessica M. Rimsza & Kristopher L. Kuhlman. (2021) Temperature and Pressure Dependence of Salt–Brine Dihedral Angles in the Subsurface. Langmuir 37:45, pages 13291-13299.
Crossref
Crossref
Yunkun Lu, Gaoqun Zhang, Junjie Hao, Jingcen Zhang, Liang Chang, Shuhao Yan, Haifeng Zhang, Qianyue Cui & Hui Tan. (2021) Molecular dynamics simulation of thermodynamic properties and local structure of Na2CO3-K2CO3 eutectic salt during phase transition. Journal of Energy Storage 43, pages 103221.
Crossref
Crossref
Jianfeng Lu, Senfeng Yang, Gechuanqi Pan, Jing Ding, Shule Liu & Weilong Wang. (2021) Thermal and Transport Properties of Molten Chloride Salts with Polarization Effect on Microstructure. Energies 14:3, pages 746.
Crossref
Crossref
Haimeng Wang, Ryan S. DeFever, Yong Zhang, Fei Wu, Santanu Roy, Vyacheslav S. Bryantsev, Claudio J. Margulis & Edward J. Maginn. (2020) Comparison of fixed charge and polarizable models for predicting the structural, thermodynamic, and transport properties of molten alkali chlorides. The Journal of Chemical Physics 153:21.
Crossref
Crossref
Yongtao Li, Yongju Li, Zhenxiao Yang, Xuejian Zhang, Fanming Zeng, Chun Li, Hai Lin, Zhongmin Su, Chelliah Kamalakshiammal Mahadevan & Jinghe Liu. (2020) The Structure and Liquid Flow Effect of Melt during NaCl Crystal Growth. Crystal Research and Technology 55:7, pages 1900229.
Crossref
Crossref
Wenjun Xie, Jing Ding, Gechuanqi Pan, Qianmei Fu, Xiaolan Wei, Jianfeng Lu & Weilong Wang. (2020) Heat and mass transportation properties of binary chloride salt as a high-temperature heat storage and transfer media. Solar Energy Materials and Solar Cells 209, pages 110415.
Crossref
Crossref
Jessica M. Rimsza & Kristopher L. Kuhlman. (2020) Surface Energies and Structure of Salt–Brine Interfaces. Langmuir 36:9, pages 2482-2491.
Crossref
Crossref
Lichan Du, Wenjun Xie, Jing Ding, Jianfeng Lu, XiaoLan Wei & Weilong Wang. (2019) Molecular dynamics simulations of the thermodynamic properties and local structures on molten alkali carbonate Na2CO3. International Journal of Heat and Mass Transfer 131, pages 41-51.
Crossref
Crossref
Jing Ding, Lichan Du, Gechuanqi Pan, Jianfeng Lu, Xiaolan Wei, Jiang Li, Weilong Wang & Jinyue Yan. (2018) Molecular dynamics simulations of the local structures and thermodynamic properties on molten alkali carbonate K2CO3. Applied Energy 220, pages 536-544.
Crossref
Crossref
Lichan Du, Jing Ding, Weilong Wang, Gechuanqi Pan, Jianfeng Lu & Xiaolan Wei. (2017) Molecular dynamics simulations on the binary eutectic system Na 2 CO 3 -K 2 CO 3. Energy Procedia 142, pages 3553-3559.
Crossref
Crossref
Jing Ding, Gechuanqi Pan, Lichan Du, Jianfeng Lu, Xiaolan Wei, Jiang Li, Weilong Wang & Jinyue Yan. (2017) Theoretical prediction of the local structures and transport properties of binary alkali chloride salts for concentrating solar power. Nano Energy 39, pages 380-389.
Crossref
Crossref
Christopher Hardacre, Claire Mullan & Tristan G. A. Youngs. 2015. Ionic Liquids Completely UnCOILed. Ionic Liquids Completely UnCOILed
55
82
.
Y. Iwadate, T. Ohkubo, T. Michii, H. Matsuura, A. Kajinami, K. Takase, N. Ohtori, N. Umesaki, R. Fujita, K. Mizuguchi, H. Kofuji, M. Myochin, M. Misawa, K. Itoh & T. Fukunaga. 2014. Molten Salts Chemistry and Technology. Molten Salts Chemistry and Technology
449
458
.
Yasuhiko Iwadate. 2014. Including Actinides. Including Actinides
87
168
.
Yasuhiko Iwadate. 2013. Molten Salts Chemistry. Molten Salts Chemistry
17
31
.
M. Salanne, C. Simon, P. Turq, N. Ohtori & P.A. Madden. 2013. Molten Salts Chemistry. Molten Salts Chemistry
1
16
.
Mathieu Salanne, Benjamin Rotenberg, Sandro Jahn, Rodolphe Vuilleumier, Christian Simon & Paul A. Madden. (2012) Including many-body effects in models for ionic liquids. Theoretical Chemistry Accounts 131:3.
Crossref
Crossref
Maria M. Reif & Philippe H. Hünenberger. (2011) Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water. The Journal of Chemical Physics 134:14.
Crossref
Crossref
Maria M. Reif, Vincent Kräutler, Mika A. Kastenholz, Xavier Daura & Philippe H. Hünenberger. (2009) Molecular Dynamics Simulations of a Reversibly Folding β-Heptapeptide in Methanol: Influence of the Treatment of Long-Range Electrostatic Interactions. The Journal of Physical Chemistry B 113:10, pages 3112-3128.
Crossref
Crossref
Leonardo J. A. Siqueira & Mauro C. C. Ribeiro. (2007)
Molecular Dynamics Simulation of the Ionic Liquid
N
-Ethyl-
N,N
-dimethyl-
N
-(2-methoxyethyl)ammonium Bis(trifluoromethanesulfonyl)imide
. The Journal of Physical Chemistry B 111:40, pages 11776-11785.
Crossref
Crossref
N. Galamba & B. J. Costa Cabral. (2007) First principles molecular dynamics of molten NaI: Structure, self-diffusion, polarization effects, and charge transfer. The Journal of Chemical Physics 127:9.
Crossref
Crossref
N. Galamba, C. A. Nieto de Castro & James F. Ely. (2005) Shear viscosity of molten alkali halides from equilibrium and nonequilibrium molecular-dynamics simulations. The Journal of Chemical Physics 122:22.
Crossref
Crossref
Vo Van Hoang. (2005) About an order of liquid–liquid phase transition in simulated liquid Al2O3. Physics Letters A 335:5-6, pages 439-443.
Crossref
Crossref
Rui P.S. Fartaria, Filomena F.M. Freitas & Fernando M.S. Silva Fernandes. (2005) A study of 1-decanethiol self-assembly on gold electrodes by computer simulation. Journal of Electroanalytical Chemistry 574:2, pages 321-331.
Crossref
Crossref
Vo Hoang & Suhk Oh. (2004) Molecular dynamics study of aging effects in supercooled Al_{2}O_{3}. Physical Review E 70:6.
Crossref
Crossref
Nuno Galamba, Carlos A. Nieto de Castro & James F. Ely. (2004) Molecular Dynamics Simulation of the Shear Viscosity of Molten Alkali Halides. The Journal of Physical Chemistry B 108:11, pages 3658-3662.
Crossref
Crossref
Shuo Zhang & Nanxian Chen. (2002)
Ab initio
interionic potentials for NaCl by multiple lattice inversion
. Physical Review B 66:6.
Crossref
Crossref
D.K Belashchenko, O.I Ostrovski & L.V Skvortsov. (2001) Molecular dynamics simulation of binary CaO–FeO, MgO–SiO2, FeO–SiO2, CaO–SiO2 and ternary CaO–FeO–SiO2 systems. Thermochimica Acta 372:1-2, pages 153-163.
Crossref
Crossref
T. Cartailler, M. Hanna & P. Turq. (1999) Translational rotational coupled motions in molten lithium nitrate. Journal of Molecular Liquids 83:1-3, pages 31-40.
Crossref
Crossref
David K Belashchenko. (1997) Computer simulation of the structure and properties of non-crystalline oxides. Russian Chemical Reviews 66:9, pages 733-762.
Crossref
Crossref
Fernando M.S.Silva Fernandes & J.P.Prates Ramalho. (1995) Hypervolumes in microcanonical Monte Carlo. Computer Physics Communications 90:1, pages 73-80.
Crossref
Crossref
Paul E. Smith & B. Montgomery Pettitt. (1991) Peptides in ionic solutions: A comparison of the Ewald and switching function techniques. The Journal of Chemical Physics 95:11, pages 8430-8441.
Crossref
Crossref
K Tankeshwar & M P Tosi. (1991) Ionic diffusion in superionic-conductor melts. Journal of Physics: Condensed Matter 3:38, pages 7511-7518.
Crossref
Crossref
Leslie J. Root & Frank H. Stillinger. (1989) Short-range order in glycerol. A molecular dynamics study. The Journal of Chemical Physics 90:2, pages 1200-1208.
Crossref
Crossref
M Revere & M P Tosi. (1986) Structure and dynamics of molten salts. Reports on Progress in Physics 49:9, pages 1001-1081.
Crossref
Crossref
J. H. R. Clarke, W. Smith & L. V. Woodcock. (1986) Short range effective potentials for ionic fluids. The Journal of Chemical Physics 84:4, pages 2290-2294.
Crossref
Crossref
A Baranyai, I Ruff & R L McGreevy. (1986) Monte Carlo simulation of the complete set of molten alkali halides. Journal of Physics C: Solid State Physics 19:4, pages 453-465.
Crossref
Crossref
Jean L. Cordonnier, Robert Romanetti & Jean-Baptiste Lesourd. (1986) On the hypotheses underlying molecular dynamics simulation models in ionic liquid systems. Mathematical Modelling 7:1, pages 83-90.
Crossref
Crossref
D. Levesque, J. J. Weis & J. P. Hansen. 1986. Monte Carlo Methods in Statistical Physics. Monte Carlo Methods in Statistical Physics
47
120
.
G Raghurama, R Narayan & S Ramaseshan. (1985) A semi-empirical theory of molten salts. Journal of Physics C: Solid State Physics 18:12, pages 2401-2409.
Crossref
Crossref
Kenneth S. Pitzer. (1984) Critical point and vapor pressure of ionic fluids including NaCl and KCl. Chemical Physics Letters 105:5, pages 484-489.
Crossref
Crossref
Toyonori Munakata. (1983) Velocity field and velocity autocorrelation function in ionic liquids. The Journal of Chemical Physics 78:12, pages 7290-7295.
Crossref
Crossref
J.B. Lesourd & J. Cordonnier. (1982) On the infrared spectrum of molten NaCl: a molecular dynamics simulation. Chemical Physics Letters 91:6, pages 473-476.
Crossref
Crossref
Frédéric Lantelme & Pierre Turq. (1982) Ionic dynamics in the LiCl–KCl system at liquid state. The Journal of Chemical Physics 77:6, pages 3177-3187.
Crossref
Crossref
J E Enderby. (1982) Liquid state physics-or is it chemistry?. Journal of Physics C: Solid State Physics 15:22, pages 4609-4625.
Crossref
Crossref
H. Versmold. (2010) Neue experimentelle Möglichkeiten für das Studium der molekularen Struktur und Dynamik von Flüssigkeiten. Berichte der Bunsengesellschaft für physikalische Chemie 85:11, pages 979-992.
Crossref
Crossref
D. M. Heyes. (1981) Electrostatic potentials and fields in infinite point charge lattices. The Journal of Chemical Physics 74:3, pages 1924-1929.
Crossref
Crossref
J. Bletry. (1980) Deuxième partie. — Structure des métaux et alliages amorphes. Revue de Physique Appliquée 15:6, pages 1019-1031.
Crossref
Crossref
D. Levesque, J. J. Weis & J. P. Hansen. 1979. Monte Carlo Methods in Statistical Physics. Monte Carlo Methods in Statistical Physics
47
120
.
D. W. Oxtoby. 1979. High-Pressure Science and Technology. High-Pressure Science and Technology
379
389
.
J. E. Enderby. 1978. Microscopic Structure and Dynamics of Liquids. Microscopic Structure and Dynamics of Liquids
301
332
.
Frederic Lantelme, Pierre Turq & Peter Schofield. (1977) Mass dependence of the ionic dynamics in molten salts. The Journal of Chemical Physics 67:9, pages 3869-3877.
Crossref
Crossref
Pierre Turq, Frédéric Lantelme & Harold L. Friedman. (1977) Brownian dynamics: Its application to ionic solutions. The Journal of Chemical Physics 66:7, pages 3039-3044.
Crossref
Crossref
Raymond D. Mountain. (1977) Generalized hydrodynamics. Advances in Molecular Relaxation Processes 9:3-4, pages 225-291.
Crossref
Crossref
M C Abramo, C Caccamo, G Pizzimenti, M Parrinello & M P Tosi. (1976) Radius-ratio effects in the structure of fluids of charged hard spheres. Journal of Physics C: Solid State Physics 9:21, pages L593-L597.
Crossref
Crossref
J. R. D. Copley & A. Rahman. (1976) Density fluctuations in molten salts. II. Molecular dynamics study of liquid RbBr. Physical Review A 13:6, pages 2276-2286.
Crossref
Crossref
G. Jacucci, I. R. McDonald & A. Rahman. (1976) Effects of polarization on equilibrium and dynamic properties of ionic systems. Physical Review A 13:4, pages 1581-1592.
Crossref
Crossref
M Dixon & M J L Sangster. (1976) Effects of polarization on some static and dynamic properties of molten NaI. Journal of Physics C: Solid State Physics 9:6, pages 909-925.
Crossref
Crossref
William C. Kerr. (1976) Density response functions for molten salts. The Journal of Chemical Physics 64:2, pages 885-899.
Crossref
Crossref
M Dixon & M J L Sangster. (1976) The structure of molten NaCl from a simulation model which allows for the polarization of both ions. Journal of Physics C: Solid State Physics 9:1, pages L5-L9.
Crossref
Crossref
A. Rahman, F. H. Stillinger & H. L. Lemberg. (1975) Study of a central force model for liquid water by molecular dynamics. The Journal of Chemical Physics 63:12, pages 5223-5230.
Crossref
Crossref
F G Edwards, J E Enderby, R A Howe & D I Page. (1975) The structure of molten sodium chloride. Journal of Physics C: Solid State Physics 8:21, pages 3483-3490.
Crossref
Crossref
Jean Pierre Hansen & Ian R. McDonald. (1975) Statistical mechanics of dense ionized matter. IV. Density and charge fluctuations in a simple molten salt. Physical Review A 11:6, pages 2111-2123.
Crossref
Crossref
Weiguang Zhou, Yanping Zhang & Mathieu Salanne. (2021) Effects of Fluoride Salt Addition to the Physico-Chemical Properties of the MgCl <sub>2</sub>-NaCl-KCl Heat Transfer Fluid: A Molecular Dynamics Study. SSRN Electronic Journal.
Crossref
Crossref