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浏览/检索结果: 共9条，第1-9条 帮助 限定条件 发表日期：2021    专题：金属研究所    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Unraveling surface functionalization of Cr2B2T2 (T = OH, O, Cl, H) MBene by first-principles calculations 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 199, 页码: 7 作者:  Hu, Tao;  Wang, Mengting;  Wang, Xiaohui;  Zhou, Yanchun;  Li, Changming 收藏  |  浏览/下载：38/0  |  提交时间：2021/11/22 Two-dimensional materials  Surface functionalization  Stability  MBene  First-principles calculations   Theoretical and experimental investigations on mechanical properties of (Fe,Ni)Sn2 intermetallic compounds formed in SnAgCu/Fe-Ni solder joints 期刊论文 MATERIALS CHARACTERIZATION, 2021, 卷号: 178, 页码: 8 作者:  Gao, Li-Yin;  Luo, Yi-Xiu;  Wan, Peng;  Liu, Zhi-Quan 收藏  |  浏览/下载：252/0  |  提交时间：2021/10/15 Solder joint  Intermetallic compound  Mechanical property  Nano-indentation  First principle calculation   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 作者:  Ali, Sajjad;  Iqbal, Rashid;  Khan, Azim;  Rehman, Shafiq Ur;  Haneef, Muhammad 收藏  |  浏览/下载：60/0  |  提交时间：2021/10/15 single-atom catalysts  doped and defective carbon  CO2 hydrogenation  formic acid  density functional theory   New insights into omega-embrittlement in high misfit metastable beta-titanium alloys: Mechanically-driven omega-mediated amorphization 期刊论文 MATERIALS & DESIGN, 2021, 卷号: 205, 页码: 18 作者:  Chen, Wei;  Cao, Shuo;  Zhang, Jinyu;  Zha, You;  Hu, Qingmiao 收藏  |  浏览/下载：43/0  |  提交时间：2021/10/15 Titanium alloys  omega-precipitates  Brittleness  Slip band  Amorphization   Effects of pressure on the generalized stacking fault energy and twinning propensity of face-centered cubic metals 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 866, 页码: 12 作者:  Yan, J. X.;  Zhang, Z. J.;  Yu, H.;  Li, K. Q.;  Hu, Q. M. 收藏  |  浏览/下载：30/0  |  提交时间：2021/10/15 Molecular dynamics simulations  First-principles calculations  High-pressure  High entropy alloy  Twinning  Phase transitions   First-principles calculations of diffusion activation energies for designing anti-self-aging biodegradable zinc alloys 期刊论文 JOURNAL OF MATERIALS RESEARCH, 2021, 页码: 12 作者:  Fan, Shihao;  Yue, Rui;  Li, Song;  Yuan, Guangyin;  Jin, Zhaohui 收藏  |  浏览/下载：40/0  |  提交时间：2021/10/15 Activation analysis  Biomaterial  Diffusion  Modelling  Zinc   First-principles calculations of diffusion activation energies for designing anti-self-aging biodegradable zinc alloys 期刊论文 JOURNAL OF MATERIALS RESEARCH, 2021, 页码: 12 作者:  Fan, Shihao;  Yue, Rui;  Li, Song;  Yuan, Guangyin;  Jin, Zhaohui 收藏  |  浏览/下载：46/0  |  提交时间：2021/10/15 Activation analysis  Biomaterial  Diffusion  Modelling  Zinc   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 作者:  Zou, Chengxiong;  Li, Jinshan;  Wang, William Yi;  Zhang, Ying;  Lin, Deye 收藏  |  浏览/下载：45/0  |  提交时间：2021/03/15 High-throughput calculation  Machine learning  Electron work function  Similar atomic environment  Bonding charge density   Influence of alloying elements on hot corrosion resistance of nickel-based single crystal superalloys coated with Na2SO4 salt at 900 degrees C 期刊论文 MATERIALS & DESIGN, 2021, 卷号: 197, 页码: 12 作者:  Song, Peng;  Liu, Mingfeng;  Jiang, Xiangwei;  Feng, Yuchao;  Wu, Junjie 收藏  |  浏览/下载：39/0  |  提交时间：2021/03/15 Molten salts  Superalloys  Hot corrosion  Elements  First-principles calculation