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First-principles study of the structural, electronic, dynamical, and mechanical properties of Pd-Nb binary systems 期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2022, 卷号: 78, 页码: 12
Authors:  Liu, Mingfeng;  Wang, Lei;  Wang, Jiantao;  Zhu, Heyu;  Ma, Hui;  Wei, Yan;  Zhang, Aimin;  Chen, Li;  Liu, Peitao;  Chen, Xing-Qiu
Favorite  |  View/Download:3/0  |  Submit date:2022/09/16
First-principles calculations  Variable-composition evolutionary structure search  Pd-Nb binary system  Intermetallics  Electronic structures  Elastic properties  
Two-dimensional layered MSi2N4 (M = Mo, W) as promising thermal management materials: a comparative study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 页码: 8
Authors:  Shen, Chen;  Wang, Lei;  Wei, Donghai;  Zhang, Yixuan;  Qin, Guangzhao;  Chen, Xing-Qiu;  Zhang, Hongbin
Favorite  |  View/Download:5/0  |  Submit date:2022/07/01
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
Favorite  |  View/Download:26/0  |  Submit date:2021/10/15
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
Favorite  |  View/Download:28/0  |  Submit date:2021/10/15
Aluminum oxide  Density functional theory  Synchro-shear phase transformation model  Alumina  Phase transformation  First-principles calculations  
Intercalated architecture of MA(2)Z(4) family layered van der Waals materials with emerging topological, magnetic and superconducting properties 期刊论文
NATURE COMMUNICATIONS, 2021, 卷号: 12, 期号: 1, 页码: 10
Authors:  Wang, Lei;  Shi, Yongpeng;  Liu, Mingfeng;  Zhang, Ao;  Hong, Yi-Lun;  Li, Ronghan;  Gao, Qiang;  Chen, Mingxing;  Ren, Wencai;  Cheng, Hui-Ming;  Li, Yiyi;  Chen, Xing-Qiu
Favorite  |  View/Download:32/0  |  Submit date:2021/10/15
Computation and data driven discovery of topological phononic materials 期刊论文
NATURE COMMUNICATIONS, 2021, 卷号: 12, 期号: 1, 页码: 12
Authors:  Li, Jiangxu;  Liu, Jiaxi;  Baronett, Stanley A.;  Liu, Mingfeng;  Wang, Lei;  Li, Ronghan;  Chen, Yun;  Li, Dianzhong;  Zhu, Qiang;  Chen, Xing-Qiu
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First-principles study of hydrogen trapping behavior in face centered cubic metals (M=Ni, Cu and Al) with monovacancy 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2020, 卷号: 45, 期号: 46, 页码: 25555-25566
Authors:  Xing, Weiwei;  Chen, Xing-Qiu;  Li, Xiaobing;  Ma, Yingche;  Chen, Bo;  Liu, Kui
Favorite  |  View/Download:90/0  |  Submit date:2021/02/02
Hydrogen-vacancy interaction  fcc metals  Hydrogen clusters  Hydrogen molecule  Charge transfer  
Topological phonons in graphene 期刊论文
PHYSICAL REVIEW B, 2020, 卷号: 101, 期号: 8, 页码: 7
Authors:  Li, Jiangxu;  Wang, Lei;  Liu, Jiaxi;  Li, Ronghan;  Zhang, Zhenyu;  Chen, Xing-Qiu
Favorite  |  View/Download:35/0  |  Submit date:2021/02/02
Topological phonons in graphene 期刊论文
PHYSICAL REVIEW B, 2020, 卷号: 101, 期号: 8, 页码: 7
Authors:  Li, Jiangxu;  Wang, Lei;  Liu, Jiaxi;  Li, Ronghan;  Zhang, Zhenyu;  Chen, Xing-Qiu
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General principles to high-throughput constructing two-dimensional carbon allotropes* 期刊论文
CHINESE PHYSICS B, 2020, 卷号: 29, 期号: 3, 页码: 10
Authors:  Xie, Qing;  Wang, Lei;  Li, Jiangxu;  Li, Ronghan;  Chen, Xing-Qiu
Favorite  |  View/Download:39/0  |  Submit date:2021/02/02
graphene allotropes  phonon spectra  semimetal  dirac Fermions  modeling