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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
Favorite  |  View/Download：8/0  |  Submit date：2023/05/09
Silicon carbide  Molecular dynamics  Capillary infiltration  Liquid silicon  Carbon  nanotube  
A Mannich-base imidazoline quaternary ammonium salt for corrosion inhibition of mild steel in HCl solution 期刊论文
MATERIALS CHEMISTRY AND PHYSICS, 2023, 卷号: 293, 页码: 12
Authors:  Wang, Ge;  Li, Wentao;  Wang, Xuan;  Yuan, Xuwen;  Yang, Huaiyu
Favorite  |  View/Download：6/0  |  Submit date：2023/05/09
Mild steel  Polarization  EIS  DFT  MD  
A Mannich-base imidazoline quaternary ammonium salt for corrosion inhibition of mild steel in HCl solution 期刊论文
MATERIALS CHEMISTRY AND PHYSICS, 2023, 卷号: 293, 页码: 12
Authors:  Wang, Ge;  Li, Wentao;  Wang, Xuan;  Yuan, Xuwen;  Yang, Huaiyu
Favorite  |  View/Download：5/0  |  Submit date：2023/05/09
Mild steel  Polarization  EIS  DFT  MD  
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：49/0  |  Submit date：2022/07/01
Mg-Zn-Ca alloy  twin boundary  solute cluster hardening  molecular dynamics simulation  
Penetration Failure Mechanism of Multi-Diameter Tungsten Fiber Reinforced Zr-Based Bulk Metallic Glasses Matrix Composite Rod 期刊论文
CRYSTALS, 2022, 卷号: 12, 期号: 2, 页码: 16
Authors:  Du, Chengxin;  Fu, Huameng;  Zhu, Zhengwang;  Wang, Kehong;  Gao, Guangfa;  Zhou, Feng;  Xu, Lizhi;  Du, Zhonghua
Favorite  |  View/Download：55/0  |  Submit date：2022/07/01
multi-diameter tungsten fiber-reinforced Zr-based bulk metallic glasses matrix composite  tungsten fiber  penetration failure mode  bend space  ultimate bending diameter  
Shear strain-induced structure relaxation of Ni Sigma 17 [110](223) grain boundary: A molecular dynamics simulation 期刊论文
MODERN PHYSICS LETTERS B, 2022, 卷号: 36, 期号: 02, 页码: 15
Authors:  Xue, Hongtao;  Yu, Xudong;  Zhou, Xin;  Tang, Fuling;  Li, Xiuyan;  Wu, Youzhi;  Ren, Junqiang;  Lu, Xuefeng
Favorite  |  View/Download：44/0  |  Submit date：2022/07/01
Grain boundary relaxation  Ni Sigma 17 [110](223) grain boundary  molecular dynamics  grain boundary stability  nanocrystalline metals  
Removing basal-dissociated < c plus a > dislocations by {10(1)over-bar2} deformation twinning in magnesium alloys 期刊论文
ACTA MATERIALIA, 2021, 卷号: 217, 页码: 15
Authors:  Zhou, Xinzhe;  Su, Huhu;  Ye, Hengqiang;  Yang, Zhiqing
Favorite  |  View/Download：76/0  |  Submit date：2021/11/22
Mg alloy  Dislocation  Twinning  Interfacial defects  Ductility  
Atomistic Insights into the Anisotropic and Low Thermal Conductivity in Neopentyl Glycol Crystals: A Molecular Dynamics Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 卷号: 125, 期号: 29, 页码: 15853-15862
Authors:  Wang, Simin;  Sun, Liang;  Li, Bing;  Dai, Liang
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Stability and Catalytic Performance of Single-Atom Catalysts Supported on Doped and Defective Graphene for CO2 Hydrogenation to Formic Acid: A First-Principles Study 期刊论文
ACS APPLIED NANO MATERIALS, 2021, 卷号: 4, 期号: 7, 页码: 6893-6902
Authors:  Ali, Sajjad;  Iqbal, Rashid;  Khan, Azim;  Rehman, Shafiq Ur;  Haneef, Muhammad;  Yin, Lichang
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single-atom catalysts  doped and defective carbon  CO2 hydrogenation  formic acid  density functional theory  
Single Au atom supported defect mediated boron nitride monolayer as an efficient catalyst for acetylene hydrochlorination: A first principles study 期刊论文
MOLECULAR CATALYSIS, 2021, 卷号: 511, 页码: 9
Authors:  Ali, Sajjad;  Haneef, Muhammad;  Akbar, Jehan;  Ullah, Izaz;  Ullah, Sami;  Samad, Abdus
Favorite  |  View/Download：93/0  |  Submit date：2021/11/22
Defects  hexagonal boron nitride  single Au catalyst  acetylene hydrochlorination  DFT