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Deep learning-driven molecular dynamics simulations of molten carbonates: 1. Local structure and transport properties of molten Li2CO3-Na2CO3 system

Ionics, 2022-03, Vol.28 (3), p.1231-1248

2022

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Study of the electrochemical behavior of Ni(II) impurity in MgCl2–KCl–NaCl melt

Journal of applied electrochemistry, 2024, Vol.54 (10), p.2329-2337

2024

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Investigation on electrochemical behaviors of MnCl2 impurity in LiCl-KCl melts

Ionics, 2021-07, Vol.27 (7), p.2979-2988

2021

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Theoretical prediction on the redox potentials of rare-earth ions by deep potentials

Ionics, 2021-05, Vol.27 (5), p.2079-2088

2021

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Investigation on electrochemical behaviors of MgCl2 impurity in LiCl-KCl melt

Journal of electroanalytical chemistry (Lausanne, Switzerland), 2021-04, Vol.886, p.115131, Article 115131

2021

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Effect of additives on the morphology of calcium sulfate hemihydrate: Experimental and molecular dynamics simulation studies

Chemical engineering journal (Lausanne, Switzerland : 1996), 2015-10, Vol.278, p.320-327

2015

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Static and dynamic ionic structure of molten CaCl2 via first-principles molecular dynamics simulations

Ionics, 2021-02, Vol.27 (2), p.771-779

2021

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Thermal decomposition mechanisms of MgCl₂·6H₂O and MgCl₂·H₂O

Journal of analytical and applied pyrolysis, 2011-05, Vol.91 (1), p.159-164

2011

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Synergistic catalytic effect of light rare earth element and other additives on the degree of graphitization and properties of graphite

Journal of materials science, 2017, Vol.52 (2), p.663-673

2017

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Theoretical study on the structure transition under the thermal decomposition of MgCl2·H2O

Journal of thermal analysis and calorimetry, 2020, Vol.139 (6), p.3735-3744

2020

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Development of a visco-plastic constitutive modeling for thixoforming of AA6061 in semi-solid state

Journal of alloys and compounds, 2014-10, Vol.609, p.290-295

2014

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Investigation of the Behavior and Mechanism of Action of Ether-Based Polycarboxylate Superplasticizers Adsorption on Large Bibulous Stone Powder

Materials, 2021-05, Vol.14 (11), p.2736

2021

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Effect of New Hardening Accelerator on the Strength of Segment Concrete

Journal of Wuhan University of Technology. Materials science edition, 2021-06, Vol.36 (3), p.387-391

2021

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Influence of on the Microscopic Structure and Physical Properties of the Binary Nitrate Salts: a Molecular Dynamics Simulation Study

Journal of thermal science, 2020, Vol.29 (2), p.464-476

2020

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Hydration MgCl2-NaCl-KCl molten salt using a novel approach for training machine learning potential

Journal of molecular liquids, 2024-01, Vol.394, p.123533, Article 123533

2024

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Effect of Fe-Content on the Mechanical Properties of Recycled Al Alloys during Hot Compression

Metals (Basel ), 2017-07, Vol.7 (7), p.262

2017

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Machine-Learning-Driven Simulations on Microstructure and Thermophysical Properties of MgCl2–KCl Eutectic

ACS applied materials & interfaces, 2021-01, Vol.13 (3), p.4034-4042

2021

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Investigation of Microscopic Structure and Ion Dynamics in Liquid Li(Na, K)EutecticCl Systems by Molecular Dynamics Simulation

Applied sciences, 2018-10, Vol.8 (10), p.1874

2018

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Effects of low-frequency electromagnetic field on microstructures and macrosegregation of continuous casting 7075 aluminum alloy

Materials science & engineering. A, Structural materials : properties, microstructure and processing, 2003-08, Vol.355 (1), p.325-330

2003

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Machine learning model to efficiently predict the structure and properties of MgCl2–NaCl–KCl melts

Solar energy materials and solar cells, 2024-08, Vol.272, p.112903, Article 112903

2024

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Atomistic simulations on liquid Mg–Sr alloys assisted with deep learning potential

Journal of materials science, 2024-08, Vol.59 (29), p.13558-13574

2024

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Deep Learning Potential Assisted Prediction of Local Structure and Thermophysical Properties of the SrCl2–KCl–MgCl2 Melt

Journal of chemical theory and computation, 2024-09, Vol.20 (17), p.7611-7623

2024

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Deep Learning Potential Assisted Prediction of Local Structure and Thermophysical Properties of the SrCl 2 -KCl-MgCl 2 Melt

Journal of chemical theory and computation, 2024-09, Vol.20 (17), p.7611-7623

2024

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Theoretical prediction on the local structure and transport properties of molten alkali chlorides by deep potentials

Journal of materials science & technology, 2021-06, Vol.75, p.78-85

2021

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Prediction on local structure and properties of LiCl-KCl-AlCl3 ternary molten salt with deep learning potential

Journal of molecular liquids, 2023-04, Vol.375, p.120689, Article 120689

2023

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Deep learning-driven molecular dynamics simulations of molten carbonates: 1. Local structure and transport properties of molten Li2CO3-Na2CO3 system

Study of the electrochemical behavior of Ni(II) impurity in MgCl2–KCl–NaCl melt

Investigation on electrochemical behaviors of MnCl2 impurity in LiCl-KCl melts

Theoretical prediction on the redox potentials of rare-earth ions by deep potentials

Investigation on electrochemical behaviors of MgCl2 impurity in LiCl-KCl melt

Effect of additives on the morphology of calcium sulfate hemihydrate: Experimental and molecular dynamics simulation studies

Static and dynamic ionic structure of molten CaCl2 via first-principles molecular dynamics simulations

Thermal decomposition mechanisms of MgCl₂·6H₂O and MgCl₂·H₂O

Synergistic catalytic effect of light rare earth element and other additives on the degree of graphitization and properties of graphite

Theoretical study on the structure transition under the thermal decomposition of MgCl2·H2O

Development of a visco-plastic constitutive modeling for thixoforming of AA6061 in semi-solid state

Investigation of the Behavior and Mechanism of Action of Ether-Based Polycarboxylate Superplasticizers Adsorption on Large Bibulous Stone Powder

Effect of New Hardening Accelerator on the Strength of Segment Concrete

Influence of on the Microscopic Structure and Physical Properties of the Binary Nitrate Salts: a Molecular Dynamics Simulation Study

Hydration MgCl2-NaCl-KCl molten salt using a novel approach for training machine learning potential

Effect of Fe-Content on the Mechanical Properties of Recycled Al Alloys during Hot Compression

Machine-Learning-Driven Simulations on Microstructure and Thermophysical Properties of MgCl2–KCl Eutectic

Investigation of Microscopic Structure and Ion Dynamics in Liquid Li(Na, K)EutecticCl Systems by Molecular Dynamics Simulation

Effects of low-frequency electromagnetic field on microstructures and macrosegregation of continuous casting 7075 aluminum alloy

Machine learning model to efficiently predict the structure and properties of MgCl2–NaCl–KCl melts

Atomistic simulations on liquid Mg–Sr alloys assisted with deep learning potential

Deep Learning Potential Assisted Prediction of Local Structure and Thermophysical Properties of the SrCl2–KCl–MgCl2 Melt

Deep Learning Potential Assisted Prediction of Local Structure and Thermophysical Properties of the SrCl 2 -KCl-MgCl 2 Melt

Theoretical prediction on the local structure and transport properties of molten alkali chlorides by deep potentials

Prediction on local structure and properties of LiCl-KCl-AlCl3 ternary molten salt with deep learning potential

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