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Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 886, 页码: 8
Authors:  Qiu, Shi;  Chen, Shu-Ming;  Naihua, Naihua;  Zhou, Jian;  Hu, Qing-Miao;  Sun, Zhimei
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Local chemical ordering  High entropy alloy  First-principles calculations  Mechanical properties  
Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 886, 页码: 8
Authors:  Qiu, Shi;  Chen, Shu-Ming;  Naihua, Naihua;  Zhou, Jian;  Hu, Qing-Miao;  Sun, Zhimei
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Local chemical ordering  High entropy alloy  First-principles calculations  Mechanical properties  
Probing the reaction mechanism of acetylene hydrochlorination on metal-free doped boron nitride: Decisive role of carbon dopant 期刊论文
APPLIED SURFACE SCIENCE, 2021, 卷号: 566, 页码: 7
Authors:  Si, Chaowei;  Lian, Zan;  Yang, Min;  Li, Bo
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Metal-free catalysis  Boron Nitride  DFT  Acetylene hydroclorination  Carbon doping  
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
Authors:  Hu, Tao;  Wang, Mengting;  Wang, Xiaohui;  Zhou, Yanchun;  Li, Changming
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Two-dimensional materials  Surface functionalization  Stability  MBene  First-principles calculations  
Interaction between Al and other alloying atoms in alpha-Ti for designing high temperature titanium alloy 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 197, 页码: 11
Authors:  Cao, Shuo;  Zhang, Shang-Zhou;  Liu, Jian-Rong;  Li, Shu-Jun;  Sun, Tao;  Li, Jian-Ping;  Gao, Yang;  Yang, Rui;  Hu, Qing-Miao
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Titanium alloys  Thermal strength  Thermal stability  Interaction energy  First principles calculations  
Twinning pathways in Fe and Fe-Cr alloys from first-principles theory 期刊论文
ACTA MATERIALIA, 2021, 卷号: 215, 页码: 14
Authors:  Wang, Ci;  Schonecker, Stephan;  Li, Wei;  Yang, Yaochun;  Hu, Qing-Miao;  Vitos, Levente
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Deformation twinning  Generalized stacking fault energy  Ferrite  Fe-Cr alloys  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
Authors:  Gao, Li-Yin;  Luo, Yi-Xiu;  Wan, Peng;  Liu, Zhi-Quan
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Solder joint  Intermetallic compound  Mechanical property  Nano-indentation  First principle calculation  
The assisting and stabilizing role played by omega phase during the {112} < 111 >(beta) twinning in Ti-Mo alloys: A first-principles insight 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2021, 卷号: 80, 页码: 163-170
Authors:  Chen, Qiu-Jie;  Ma, Shang-Yi;  Wang, Shao-Qing
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Titanium alloys  Twin  Interfacial twin boundary phase  Generalized planar fault energy  First-principles  
Interfacial co-polymerization derived nitrogen-doped carbon enables high-performance carbon felt for vanadium flow batteries 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2021, 页码: 11
Authors:  Zhang, Kaiyue;  Yan, Chuanwei;  Tang, Ao
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Single-Dislocation Schottky Diodes 期刊论文
NANO LETTERS, 2021, 卷号: 21, 期号: 13, 页码: 5586-5592
Authors:  Tao, Ang;  Yao, Tingting;  Jiang, Yixiao;  Yang, Lixin;  Yan, Xuexi;  Ohta, Hiromichi;  Ikuhara, Yuichi;  Chen, Chunlin;  Ye, Hengqiang;  Ma, Xiuliang
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dislocation  Schottky diode  conductive atomic force microscopy  transmission electron microscopy  first-principles calculations