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Radiation damage accumulation mechanisms at iron grain boundaries revealed by coupled atomic and coarse-grained simulations via the parameter-passing and structural feedback 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572
作者:  Li, Xiangyan;  Li, Xiaolin;  Zhang, Yange;  Xu, Yichun;  Wu, Xuebang;  Wang, Xianping;  Liu, C. S.;  Fang, Q. F.
收藏  |  浏览/下载：40/0  |  提交时间：2022/12/23
Grain boundary  Multiscale simulation  Structural relaxation  Defects clusters  
An emb e dde d-atom method potential for studying the properties of Fe-Pb solid-liquid interface 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572
作者:  Lei, Yawei;  Zhang, Jingdan;  Zhang, Yange;  Li, Xiangyan;  Xu, Yichun;  Wu, Xuebang;  Sun, Meng;  Liu, Changsong;  Wang, Zhiguang
收藏  |  浏览/下载：42/0  |  提交时间：2022/12/23
Fe-Pb system  Force -matching method  EAM potential  Corrosion  Liquid properties  
Synergistic defect engineering for improving n-type NbFeSb thermoelectric performance through high-throughput computations 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2022, 卷号: 10
作者:  Li, Jingyu;  Zhu, Jianbo;  Ti, Zhuoyang;  Zhai, Wenya;  Wei, Liuming;  Zhang, Chi;  Liu, Peng-Fei;  Zhang, Yongsheng
收藏  |  浏览/下载：32/0  |  提交时间：2022/12/23
Leveraging doping and defect engineering to modulate exciton dissociation in graphitic carbon nitride for photocatalytic elimination of marine oil spill 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2022, 卷号: 439
作者:  Xia, Linhong;  Sun, Zhaoli;  Wu, Yuning;  Yu, Xue-Fang;  Cheng, Jianbo;  Zhang, Kaisheng;  Sarina, Sarina;  Zhu, Huai-Yong;  Weerathunga, Helapiyumi;  Zhang, Lixue;  Xia, Jianfei;  Yu, Jianqiang;  Yang, Xiaolong
收藏  |  浏览/下载：29/0  |  提交时间：2022/12/23
Point-Defect Engineering  Graphitic carbon nitride  Oil spill  Dopants  Carbon vacancy  
Strain effects on the behavior of intrinsic point defects within the GaN/AlN interface 期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2022
作者:  Yang, Yuming;  Zhang, Xuemei;  Liu, Jun;  Zhang, Chuanguo;  Li, Yonggang;  Zeng, Zhi;  Zhang, Yongsheng
收藏  |  浏览/下载：27/0  |  提交时间：2022/12/23
GaN  AlN interface  strain effects  intrinsic point defects  first-principles calculations  diffusion barrier  
Atomic Simulations of the Interaction between a Dislocation Loop and Vacancy-Type Defects in Tungsten 期刊论文
METALS, 2022, 卷号: 12
作者:  Li, Linyu;  Wang, Hao;  Xu, Ke;  Li, Bingchen;  Jin, Shuo;  Li, Xiao-Chun;  Shu, Xiaolin;  Liang, Linyun;  Lu, Guang-Hong
收藏  |  浏览/下载：44/0  |  提交时间：2022/05/05
atomic simulations  dislocation loop  vacancy defect  tungsten  
Prediction of vacancy formation energies at tungsten grain boundaries from local structure via machine learning method 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 559
作者:  Wang, Yuxuan;  Li, Xiaolin;  Li, Xiangyan;  Zhang, Yuxiang;  Zhang, Yange;  Xu, Yichun;  Lei, Yawei;  Liu, C. S.;  Wu, Xuebang
收藏  |  浏览/下载：26/0  |  提交时间：2022/12/23
Vacancy formation energy  Machine learning  Tungsten  Symmetry tilt grain boundary  Support vector machine  Cross validation  
Sample spinning to mitigate polarization artifact and interstitial-vacancy imbalance in ion-beam irradiation 期刊论文
NPJ COMPUTATIONAL MATERIALS, 2022, 卷号: 6
作者:  Ren Cuilan;  Yang Yang;  Li Yonggang;  Huai Ping;  Zhu Zhiyuan;  Li Ju
收藏  |  浏览/下载：6/0  |  提交时间：2023/11/10
Introduction of 4-hydroxybenzaldehyde as interface modifier with multidimensional defects passivation effect for high-performance perovskite solar cells 期刊论文
APPLIED SURFACE SCIENCE, 2021, 卷号: 570
作者:  Wu, Weiwei;  Xu, Huifen;  Liu, Guozhen;  Zheng, Haiying;  Pan, Xu
收藏  |  浏览/下载：54/0  |  提交时间：2022/01/10
Perovskite solar cells  Interface modification  4-hydroxybenzaldehyde  Defect passivation  Stability  
First principles investigation of intrinsic and Na defects in XTe (X=Ca, Sr, Ba) nanostructured PbTe 期刊论文
MATERIALS TODAY PHYSICS, 2021, 卷号: 19
作者:  Zhang, Xuemei;  Toriyama, Michael Y.;  Male, James P.;  Feng, Zhenzhen;  Guo, Shuping;  Jia, Tiantian;  Ti, Zhuoyang;  Snyder, G. Jeffrey;  Zhang, Yongsheng
收藏  |  浏览/下载：33/0  |  提交时间：2021/08/30
Thermoelectric  Point defect  Solid solution  Pseudo-interface  PbTe compounds