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Capillary infiltration of liquid silicon in carbon nanotubes: A molecular dynamics simulation 期刊论文
Authors:  Zhang, Kangyu;  Zhao, Rida;  Yang, Yongqiang;  Yin, Lichang;  Tang, Sufang
Favorite  |  View/Download:28/0  |  Submit date:2023/05/09
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
Favorite  |  View/Download:18/0  |  Submit date:2023/05/09
Grain boundaries  Tungsten  Grain boundary atomic density  Molecular dynamics simulation  
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  
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
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carbon steel  extract  green corrosion inhibitor  quantum chemical calculation  
Exploring Hf-Ta-O precipitation upon ablation of Hf-Ta-Si-C coating on C/C composites 期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42, 期号: 6, 页码: 2586-2596
Authors:  Tong, Mingde;  Chen, Chunjin;  Fu, Qiangang;  Feng, Tao;  Hou, Wanbo;  Zhang, Jiaping;  Sun, Jia;  Zhou, Lei
Favorite  |  View/Download:88/0  |  Submit date:2022/07/01
Ultrahigh temperature ceramics  Precipitation  Ablation  Coating  
Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives 期刊论文
Authors:  Olsson, Emilia;  Yu, Jiale;  Zhang, Haiyan;  Cheng, Hui-Ming;  Cai, Qiong
Favorite  |  View/Download:72/0  |  Submit date:2022/07/14
anodes  density functional theory  lithium-ion batteries  materials design  molecular dynamics  potassium-ion batteries  sodium-ion batteries  
Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method 期刊论文
CARBON, 2022, 卷号: 191, 页码: 350-361
Authors:  Long, X. H.;  Setyawan, W.;  Tai, K. P.;  Liu, Y.;  Yu, M. S.;  Wang, Z. Q.;  Gao, N.;  Wang, X. L.
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Molecular dynamics  Graphite  Atomic implantation  Radiation defects  Bending properties  
Efficient electrochemical reduction of CO to C-2 products on the transition metal and boron co-doped black phosphorene 期刊论文
CHINESE CHEMICAL LETTERS, 2022, 卷号: 33, 期号: 4, 页码: 2183-2187
Authors:  Kong, Lingyi;  Chen, Zhe;  Cai, Qinghai;  Yin, Lichang;  Zhao, Jingxiang
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CO reduction  Electrocatalysis  Multi-carbon products  Density functional theory  2D black phosphorene  
An experimentally-based molecular dynamics analysis of grain boundary migration during recrystallization in aluminum 期刊论文
SCRIPTA MATERIALIA, 2022, 卷号: 211, 页码: 5
Authors:  Li, Runguang;  Homer, Eric R.;  Hong, Chuanshi;  Zhang, Yubin;  Jensen, Dorte Juul
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Recrystallization  Grain boundary mobility  Molecular dynamics  
Cluster Hardening Effects on Twinning in Mg-Zn-Ca Alloys 期刊论文
METALS, 2022, 卷号: 12, 期号: 4, 页码: 10
Authors:  Liu, Ruixue;  Wang, Jie;  Wang, Leyun;  Zeng, Xiaoqin;  Jin, Zhaohui
Favorite  |  View/Download:64/0  |  Submit date:2022/07/01
Mg-Zn-Ca alloy  twin boundary  solute cluster hardening  molecular dynamics simulation