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Probing NaCl hydrate formation from aqueous solutions by terahertz time-domain spectroscopy 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 32, 页码: 17791-17797
Authors:  Chen, LG;  Ren, GH;  Liu, LY;  Guo, P;  Wang, ED;  Zhu, ZJ;  Yang, JR;  Shen, JX;  Zhang, ZC;  Zhou, L;  Zhang, JB;  Yang, B;  Zhang, WL;  Gao, Y;  Zhao, HW;  Han, JG
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X-RAY  MOLECULAR-DYNAMICS  WATER-STRUCTURE  THZ SPECTRA  ICE  IONS  HYSTERESIS  PRINCIPLES  SCATTERING  PHASE  
Effects of alloy compositions on hydrogen behaviors at a nickel grain boundary and a coherent twin boundary 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2020, 卷号: 45, 期号: 18, 页码: 10951-10961
Authors:  Hui, J;  Yang, G;  Liu, M;  Liu, WG;  Wang, B
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1ST-PRINCIPLES CALCULATIONS  EMBRITTLEMENT  VACANCY  SEGREGATION  DIFFUSION  CLUSTERS  STEEL  NI  DECOHESION  SIMULATION  
Unifying the diffusion coefficients of lanthanides and actinides in binary molten salt mixtures: A data review 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 297, 页码: -
Authors:  Li, XJ;  Zhang, Y;  Yue, BH;  Yan, LM;  Jiang, T;  Peng, SM
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EUTECTIC LICL-KCL  ELECTROCHEMICAL-BEHAVIOR  PHYSICOCHEMICAL PROPERTIES  OXOACIDITY REACTIONS  ELECTRODE-REACTION  CATHODIC BEHAVIOR  ALUMINUM CATHODES  HIGH-TEMPERATURE  1ST PRINCIPLES  WELD JOINT  
Prediction of dynamics properties of ThF4-based fluoride molten salts by molecular dynamic simulation 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 318, 页码: -
Authors:  Dai, JX;  Zhang, W;  Ren, CL;  Guo, XJ
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TRANSPORT-PROPERTIES  LOCAL STRUCTURES  1ST-PRINCIPLES DESCRIPTION  AUTOCORRELATION FUNCTION  LIQUID BEF2  REACTOR  VISCOSITY  SYSTEMS  TEMPERATURE  MIXTURES  
Theoretical evaluation of microscopic structural and macroscopic thermo-physical properties of molten AF-ThF4 systems (A = Li+, Na+ and K+) 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2019, 卷号: 277, 期号: -, 页码: 409—417
Authors:  Guo, XJ;  Qian, HL;  Dai, JX;  Liu, WH;  Hu, JT;  Shen, RF;  Wang, JQ
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MOLECULAR-DYNAMICS SIMULATION  CHARGE DECOMPOSITION ANALYSIS  SALT REACTOR  1ST-PRINCIPLES DESCRIPTION  LIQUID BEF2  BASIS-SETS  MIXTURES  THORIUM  SCHEME  
Study on the growth and morphology evolution of titanium oxide clusters in molten iron with molecular dynamics simulation 期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 56, 页码: 32620-32627
Authors:  Yang, LK;  Zhang, W;  He, L;  Li, HG;  Zheng, SB
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ALUMINUM-DEOXIDATION  CHARGE-TRANSFER  NUCLEATION  INCLUSIONS  1ST-PRINCIPLES  MODEL  TI  
Stimuli-Responsive DNA-Switchable Biointerfaces 期刊论文
LANGMUIR, 2018, 卷号: 34, 期号: 49, 页码: 15055-15068
Authors:  Yin, FF;  Mao, XH;  Li, M;  Zuo, XL
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TARGETED TRANSPORT  NUCLEIC-ACIDS  NANOSTRUCTURES  NANOPARTICLES  NANOFLOWERS  MODULATION  PRINCIPLES  MOLECULES  DNAZYMES  DESIGN  
Theoretical investigation of Ti and Ni co-doping on the anti-disproportionation ability of ZrCo alloy 期刊论文
MATERIALS RESEARCH EXPRESS, 2018, 卷号: 5, 期号: 10, 页码: -
Authors:  Yang, G;  Liu, WG;  Wu, SW;  Wu, XJ;  Qian, N;  Cheng, HW;  Gao, J;  Zeng, YS;  Liu, W;  Li, Y
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HYDROGEN-INDUCED DISPROPORTIONATION  STORAGE PROPERTIES  TRITIUM STORAGE  ZIRCONIUM COBALT  INTERMETALLIC COMPOUND  SITE OCCUPANCY  SYSTEM  1ST-PRINCIPLES  SUBSTITUTION  DESORPTION  
Theoretical study of ZrCoH3 and the anti-disproportionation ability of alloying elements 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2018, 卷号: 43, 期号: 22, 页码: 10410-10419
Authors:  Yang, G;  Liu, WG;  Tan, J;  Wu, SW;  Qiu, J;  Cheng, HW;  Yin, HQ;  Qian, N;  Huang, Y;  Wu, XJ;  Liu, W;  Li, Y
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Hydrogen Storage Properties  Minimum Energy Paths  Elastic Band Method  Zirconium-cobalt  Tritium Storage  Intermetallic Compound  Thermal-stability  High-temperature  1st Principles  Site Occupancy  
Elastic, mechanical, electronic, and defective properties of Zr-Al-C nanolaminates from first principles 期刊论文
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2018, 卷号: 101, 期号: 2, 页码: 756-772
Authors:  Wang, CY;  Han, H;  Zhao, YY;  Zhang, W;  Guo, YL;  Ren, CL;  Zeng, GL;  Huang, Q;  Huai, P
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Crystal-structure  Max-phase  Layered Carbides  1st-principles  Zr3al3c5  Ti3sic2  Zr2al3c4  Temperature  Hf  Predictions