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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
Favorite  |  View/Download：46/0  |  Submit date：2022/09/16
Ab Initio molecular dynamics (AIMD)  Si-doped h-BN  Ceramic matrix composites (CMCs)  Interphase  
Strain Engineering in Ni-Co-Mn-Sn Magnetic Shape Memory Alloys: Influence on the Magnetic Properties and Martensitic Transformation 期刊论文
MATERIALS, 2022, 卷号: 15, 期号: 17, 页码: 14
Authors:  Xia, Qinhan;  Tan, Changlong;  Han, Binglun;  Tian, Xiaohua;  Zhao, Lei;  Zhao, Wenbin;  Ma, Tianyou;  Wang, Cheng;  Zhang, Kun
Favorite  |  View/Download：151/0  |  Submit date：2022/10/08
martensitic transformation  ferromagnetic shape memory alloys  first-principal calculations  Ni-Co-Mn-Sn  strain engineering  
Discovery of a bulk C36-type MgZn2 structure step by step transformed from the C14 prototype laves phase structure 期刊论文
JOURNAL OF MATERIALS SCIENCE, 2022, 卷号: 57, 期号: 4, 页码: 2999-3009
Authors:  Yang, Tong;  Lu, Jiangbo;  Li, Kai;  Kong, Yi;  Zhang, Zhenjun;  Long, Qianxin;  Lan, Xinyue;  Lu, Qiang;  Du, Yong
Favorite  |  View/Download：43/0  |  Submit date：2022/07/01
STRUCTURAL AND ELASTIC PROPERTIES OF AgNi10 ALLOY STUDIED WITH AB-INITIO CALCULATIONS 期刊论文
MATERIALI IN TEHNOLOGIJE, 2022, 卷号: 56, 期号: 2, 页码: 149-157
Authors:  Liu, Jide;  Wang, Xue;  Du, Xaoming;  Xie, Ming;  Li, Jinguo;  Zhao, Shangqiang;  Zhou, Yizhou;  Zhang, Qiao;  Fang, Jiheng
Favorite  |  View/Download：64/0  |  Submit date：2022/07/01
AgNi10 alloy  ab initio calculations  elastic anisotropy  thermodynamic properties  
Implications for the Nb aggregation inherited from melt to gamma phase of U-Nb alloy 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 885, 页码: 13
Authors:  Shi, Yongpeng;  Zhu, Heyu;  Wang, Jiantao;  Ma, Hui;  Li, Ronghan;  Chen, Yun;  Mo, Wenlin;  Li, Dianzhong;  Bai, Bin;  Wang, Xiaolin;  Fa, Tao;  Chen, Xing-Qiu
Favorite  |  View/Download：115/0  |  Submit date：2021/11/22
U-Nb alloy  Nb aggregation  Uniform distribution  Mechanical property  Hydrogen diffusion behavior  
Ab initio study of dynamical properties of U-Nb alloy melt* 期刊论文
CHINESE PHYSICS B, 2021, 卷号: 30, 期号: 12, 页码: 8
Authors:  Shi, Yong-Peng;  Liu, Ming-Feng;  Chen, Yun;  Mo, Wen-Lin;  Li, Dian-Zhong;  Fa, Tao;  Bai, Bin;  Wang, Xiao-Lin;  Chen, Xing-Qiu
Favorite  |  View/Download：39/0  |  Submit date：2022/07/01
U-Nb alloy melt  dynamical properties  ab initio study  
Tailoring manganese coordination environment for a highly reversible zinc-manganese flow battery 期刊论文
JOURNAL OF POWER SOURCES, 2021, 卷号: 507, 页码: 8
Authors:  Yu, Xiao;  Song, Yuxi;  Tang, Ao
Favorite  |  View/Download：78/0  |  Submit date：2021/10/15
Zinc-manganese flow battery  EDTA-Mn  Coordination chemistry  High reversible  Mn2+/Mn3+  
Structure-composition-property correlations of symmetrical tilt grain boundaries in copper-based binary alloys 期刊论文
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2021, 卷号: 154, 页码: 9
Authors:  Xue, Hongtao;  Lei, Chao;  Tang, Fuling;  Li, Xiuyan;  Luo, Yaqiao;  Ren, Junqiang;  Lu, Xuefeng
Favorite  |  View/Download：84/0  |  Submit date：2021/10/15
Alloys  Ab initio calculations  Electronic structure  Thermodynamic properties  Mechanical properties  
Structure effect on intrinsic piezoelectricity in septuple-atomic-layer MSi2N4 (M=Mo and W) 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 188, 页码: 8
Authors:  Guo, San-Dong;  Zhu, Yu-Tong;  Mu, Wen-Qi;  Wang, Lei;  Chen, Xing-Qiu
Favorite  |  View/Download：73/0  |  Submit date：2021/10/15
MA(2)Z(4) family  Piezoelectronics  2D materials  
Effects of Al on the precipitation of B2 Cu-rich particles in Fe-Cu ferritic alloy: Experimental and theoretical study 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 846, 页码: 12
Authors:  Wang, Haiyan;  Gao, Xueyun;  Chen, Shuming;  Li, Yiming;  Wu, Zhongwang;  Ren, Huiping
Favorite  |  View/Download：95/0  |  Submit date：2021/02/02
Cu precipitate  Aging experiment  Mixing energy  Interatomic potential  Molecular dynamics