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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  
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  
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  
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
Authors:  Yan, J. X.;  Zhang, Z. J.;  Yu, H.;  Li, K. Q.;  Hu, Q. M.;  Yang, J. B.;  Zhang, Z. F.
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Molecular dynamics simulations  First-principles calculations  High-pressure  High entropy alloy  Twinning  Phase transitions  
The mechanism of theta- to alpha-Al2O3 phase transformation 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 863, 页码: 5
Authors:  Huang, Yuanchao;  Peng, Xiao;  Chen, Xing-Qiu
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Aluminum oxide  Density functional theory  Synchro-shear phase transformation model  Alumina  Phase transformation  First-principles calculations  
The mechanism of theta- to alpha-Al2O3 phase transformation 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 863, 页码: 5
Authors:  Huang, Yuanchao;  Peng, Xiao;  Chen, Xing-Qiu
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Aluminum oxide  Density functional theory  Synchro-shear phase transformation model  Alumina  Phase transformation  First-principles calculations  
Raman Spectroscopy of Layered Compound YbB2C2 期刊论文
ACTA METALLURGICA SINICA-ENGLISH LETTERS, 2021, 页码: 7
Authors:  Li, Zhihui;  Yang, Jinxing;  Wang, Jiemin;  Chen, Jixin;  Zhang, Hao;  Cui, Cong;  Wang, Xiaohui;  Ji, Zhonghai;  Zhang, Yongheng;  Li, Meishuan
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YbB2C2  Layered compound  Raman spectroscopy  First-principles calculations  Vibrational modes