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Capillary infiltration of liquid silicon in carbon nanotubes: A molecular dynamics simulation 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 144, 页码: 219-223
Authors:  Zhang, Kangyu;  Zhao, Rida;  Yang, Yongqiang;  Yin, Lichang;  Tang, Sufang
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Silicon carbide  Molecular dynamics  Capillary infiltration  Liquid silicon  Carbon  nanotube  
Effect of grain boundary atomic density and temperature on < 110 > symmetric tilt grain boundaries in tungsten: An atomistic study 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2023, 卷号: 574, 页码: 11
Authors:  He, Hong;  Ma, Shangyi;  Wang, Shaoqing
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Grain boundaries  Tungsten  Grain boundary atomic density  Molecular dynamics simulation  
Atomic structural visualization on gamma-Ho2Si2O7 using iDPC-STEM technique and its correlation with thermal expansion as advanced environmental barrier coating 期刊论文
MATERIALS TODAY PHYSICS, 2023, 卷号: 30, 页码: 6
Authors:  Lv, Xirui;  Luo, Yixiu;  Cui, Jingping;  Zhang, Jie;  Zhang, Lei;  Wang, Jingyang
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RE disilicate  Thermal expansion  Integrated differential phase contrast  Imaging technique  Environmental barrier coatings  
Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2022, 卷号: 34, 期号: 43, 页码: 10
Authors:  Cheng, Chao;  Wang, Shaoqing
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Fourier projection method  molecular dynamics  anharmonic vibration  thermal conductivity  
Theoretical design of BAs/WX2 (X = S, Se) heterostructures for high-performance photovoltaic applications from DFT calculations 期刊论文
APPLIED SURFACE SCIENCE, 2022, 卷号: 599, 页码: 11
Authors:  Guan, Yue;  Li, Xiaodan;  Hu, Qingmiao;  Zhao, Dandan;  Zhang, Lin
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First principle calculations  2D materials  Heterojunction  Electronic structure  Electric field  Photovoltaic applications  
Resonant phonon modes induced by molecular rotations in alpha-pentaerythritol crystals 期刊论文
JOURNAL OF MATERIALS CHEMISTRY C, 2022, 卷号: 10, 期号: 39, 页码: 14431-14438
Authors:  Wang, Simin;  Fan, Hongzhao;  Zhang, Zhe;  Sun, Liang;  Chen, Jialu;  Yang, Nuo;  Zhou, Yanguang;  Li, Bing;  Dai, Liang
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Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite 期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42, 期号: 13, 页码: 5323-5333
Authors:  Zhang, Siyan;  Liu, Mei;  Luo, Yixiu;  Sun, Luchao;  Wang, Jiemin;  Wang, Jingyang
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Ab Initio molecular dynamics (AIMD)  Si-doped h-BN  Ceramic matrix composites (CMCs)  Interphase  
Modulation of morphology and electronic structure on MoS2-based electrocatalysts for water splitting 期刊论文
NANO RESEARCH, 2022, 页码: 26
Authors:  Liu, Mengmeng;  Zhang, Chunyan;  Han, Ali;  Wang, Ling;  Sun, Yujia;  Zhu, Chunna;  Li, Rui;  Ye, Sheng
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MoS2  morphology  electronic structure  electrocatalysis  water splitting  
Modulation of morphology and electronic structure on MoS2-based electrocatalysts for water splitting 期刊论文
NANO RESEARCH, 2022, 页码: 26
Authors:  Liu, Mengmeng;  Zhang, Chunyan;  Han, Ali;  Wang, Ling;  Sun, Yujia;  Zhu, Chunna;  Li, Rui;  Ye, Sheng
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MoS2  morphology  electronic structure  electrocatalysis  water splitting  
Cucumber (Cucumis sativus L.) Leaf Extract as a Green Corrosion Inhibitor for Carbon Steel in Acidic Solution: Electrochemical, Functional and Molecular Analysis 期刊论文
MOLECULES, 2022, 卷号: 27, 期号: 12, 页码: 18
Authors:  Feng, Lijuan;  Zhang, Shanshan;  Hao, Long;  Du, Hongchen;  Pan, Rongkai;  Huang, Guofu;  Liu, Haijian
Favorite  |  View/Download:79/0  |  Submit date:2022/09/16
carbon steel  extract  green corrosion inhibitor  quantum chemical calculation