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Accurate structural descriptor enabled screening for nitrogen and oxygen vacancy codoped TiO2 with a large bandgap narrowing 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 122, 页码: 84-90
Authors:  Zhang, Kangyu;  Yin, Lichang;  Liu, Gang;  Cheng, Hui-Ming
Favorite  |  View/Download:44/0  |  Submit date:2022/07/01
Structural descriptor  Bandgap narrowing  Doping  Machine learning  Density functional theory  TiO2  
Screening for shape memory alloys with narrow thermal hysteresis using combined XGBoost and DFT calculation 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 211, 页码: 7
Authors:  Tian, Xiaohua;  Zhou, Liwen;  Zhang, Kun;  Zhao, Qiu;  Li, Hongxing;  Shi, Dingding;  Ma, Tianyou;  Wang, Cheng;  Wen, Qinlong;  Tan, Changlong
Favorite  |  View/Download:33/0  |  Submit date:2022/07/14
Thermal hysteresis  NiTi shape memory alloys  Machine learning  XGBoost  First-principles calculations  
Accelerated Design of High gamma ' Solvus Temperature and Yield Strength Cobalt-Based Superalloy Based on Machine Learning and Phase Diagram 期刊论文
FRONTIERS IN MATERIALS, 2022, 卷号: 9, 页码: 9
Authors:  Wang, Cuiping;  Chen, Xin;  Chen, Yuechao;  Yu, Jinxin;  Cai, Wensu;  Chen, Zhongfeng;  Yu, Xiang;  Li, Yingju;  Yang, Yuansheng;  Liu, Xingjun
Favorite  |  View/Download:38/0  |  Submit date:2022/07/14
machine learning  new cobalt-based superalloys  high strength  high gamma ' solvus temperature  high gamma ' phase stability  
High-throughput screening and machine learning for the efficient growth of high-quality single-wall carbon nanotubes 期刊论文
NANO RESEARCH, 2021, 页码: 6
Authors:  Ji, Zhong-Hai;  Zhang, Lili;  Tang, Dai-Ming;  Chen, Chien-Ming;  Nordling, Torbjorn E. M.;  Zhang, Zheng-De;  Ren, Cui-Lan;  Da, Bo;  Li, Xin;  Guo, Shu-Yu;  Liu, Chang;  Cheng, Hui-Ming
Favorite  |  View/Download:64/0  |  Submit date:2021/10/15
single-wall carbon nanotube  high throughput  machine learning  optimization  chemical vapor deposition  
High-throughput screening and machine learning for the efficient growth of high-quality single-wall carbon nanotubes 期刊论文
NANO RESEARCH, 2021, 页码: 6
Authors:  Ji, Zhong-Hai;  Zhang, Lili;  Tang, Dai-Ming;  Chen, Chien-Ming;  Nordling, Torbjorn E. M.;  Zhang, Zheng-De;  Ren, Cui-Lan;  Da, Bo;  Li, Xin;  Guo, Shu-Yu;  Liu, Chang;  Cheng, Hui-Ming
Favorite  |  View/Download:60/0  |  Submit date:2021/10/15
single-wall carbon nanotube  high throughput  machine learning  optimization  chemical vapor deposition  
Pore-affected fatigue life scattering and prediction of additively manufactured Inconel 718: An investigation based on miniature specimen testing and machine learning approach 期刊论文
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2021, 卷号: 802, 页码: 11
Authors:  Luo, Y. W.;  Zhang, B.;  Feng, X.;  Song, Z. M.;  Qi, X. B.;  Li, C. P.;  Chen, G. F.;  Zhang, G. P.
Favorite  |  View/Download:70/0  |  Submit date:2021/03/15
Selective laser melting  Pore feature  Fatigue life  Statistical analysis  Machine learning  
Integrating data mining and machine learning to discover high-strength ductile titanium alloys 期刊论文
ACTA MATERIALIA, 2021, 卷号: 202, 页码: 211-221
Authors:  Zou, Chengxiong;  Li, Jinshan;  Wang, William Yi;  Zhang, Ying;  Lin, Deye;  Yuan, Ruihao;  Wang, Xiaodan;  Tang, Bin;  Wang, Jun;  Gao, Xingyu;  Kou, Hongchao;  Hui, Xidong;  Zeng, Xiaoqin;  Qian, Ma;  Song, Haifeng;  Liu, Zi-Kui;  Xu, Dongsheng
Favorite  |  View/Download:79/0  |  Submit date:2021/03/15
High-throughput calculation  Machine learning  Electron work function  Similar atomic environment  Bonding charge density  
Physically inspired atom-centered symmetry functions for the construction of high dimensional neural network potential energy surfaces 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 186, 页码: 7
Authors:  Zhang, Kangyu;  Yin, Lichang;  Liu, Gang
Favorite  |  View/Download:93/0  |  Submit date:2021/03/15
Machine learning  Potential energy surface  Atom centered symmetry function  Solid electrolyte  Molecular dynamics simulation  
Fundamental band gap and alignment of two-dimensional semiconductors explored by machine learning* 期刊论文
CHINESE PHYSICS B, 2020, 卷号: 29, 期号: 4, 页码: 9
Authors:  Zhu, Zhen;  Dong, Baojuan;  Guo, Huaihong;  Yang, Teng;  Zhang, Zhidong
Favorite  |  View/Download:64/0  |  Submit date:2021/02/02
two-dimensional semiconductors  machine learning  
Fundamental band gap and alignment of two-dimensional semiconductors explored by machine learning* 期刊论文
CHINESE PHYSICS B, 2020, 卷号: 29, 期号: 4, 页码: 9
Authors:  Zhu, Zhen;  Dong, Baojuan;  Guo, Huaihong;  Yang, Teng;  Zhang, Zhidong
Favorite  |  View/Download:58/0  |  Submit date:2021/02/02
two-dimensional semiconductors  machine learning