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Haiyang Niu
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Cited by
Year
Modeling hardness of polycrystalline materials and bulk metallic glasses
XQ Chen, H Niu, D Li, Y Li
Intermetallics 19 (9), 1275-1281, 2011
20872011
Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion
H Niu, XQ Chen, P Liu, W Xing, X Cheng, D Li, Y Li
Scientific reports 2 (1), 718, 2012
2122012
Families of superhard crystalline carbon allotropes constructed via cold compression of graphite and nanotubes
H Niu, XQ Chen, S Wang, D Li, WL Mao, Y Li
Physical Review Letters 108 (13), 135501, 2012
1882012
Hardness of T-carbon: Density functional theory calculations
XQ Chen, H Niu, C Franchini, D Li, Y Li
Physical Review B 84 (12), 121405, 2011
1852011
Structure, bonding, and possible superhardness of CrB 4
H Niu, J Wang, XQ Chen, D Li, Y Li, P Lazar, R Podloucky, ...
Physical Review B 85 (14), 144116, 2012
1742012
Simple and accurate model of fracture toughness of solids
H Niu, S Niu, AR Oganov
Journal of Applied Physics 125 (6), 2019
1712019
Ab initio phase diagram and nucleation of gallium
H Niu, L Bonati, PM Piaggi, M Parrinello
Nature communications 11 (1), 2654, 2020
1492020
Pressure-stabilized hafnium nitrides and their properties
J Zhang, AR Oganov, X Li, H Niu
Physical Review B 95 (2), 020103, 2017
1092017
Molecular dynamics simulations of liquid silica crystallization
H Niu, PM Piaggi, M Invernizzi, M Parrinello
Proceedings of the National Academy of Sciences 115 (21), 5348-5352, 2018
1082018
Electronic, optical, and mechanical properties of superhard cold-compressed phases of carbon
H Niu, P Wei, Y Sun, XQ Chen, C Franchini, D Li, Y Li
Applied Physics Letters 99 (3), 2011
962011
Computational prediction of boron-based MAX phases and MXene derivatives
N Miao, J Wang, Y Gong, J Wu, H Niu, S Wang, K Li, AR Oganov, T Tada, ...
Chemistry of Materials 32 (16), 6947-6957, 2020
932020
Interstitial-boron solution strengthened WB3+ x
X Cheng, W Zhang, XQ Chen, H Niu, P Liu, K Du, G Liu, D Li, HM Cheng, ...
Applied Physics Letters 103 (17), 2013
782013
Temperature dependence of homogeneous nucleation in ice
H Niu, YI Yang, M Parrinello
Physical review letters 122 (24), 245501, 2019
732019
Variable-composition structural optimization and experimental verification of MnB 3 and MnB 4
H Niu, XQ Chen, W Ren, Q Zhu, AR Oganov, D Li, Y Li
Physical Chemistry Chemical Physics 16 (30), 15866-15873, 2014
652014
A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure α-FAPbI3
P Ahlawat, A Hinderhofer, EA Alharbi, H Lu, A Ummadisingu, H Niu, ...
Science Advances 7 (17), eabe3326, 2021
592021
First-principles study of Zr–N crystalline phases: phase stability, electronic and mechanical properties
S Yu, Q Zeng, AR Oganov, G Frapper, B Huang, H Niu, L Zhang
RSC advances 7 (8), 4697-4703, 2017
532017
Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures
H Niu, AR Oganov, XQ Chen, D Li
Scientific reports 5 (1), 18347, 2015
512015
Improving collective variables: The case of crystallization
YY Zhang, H Niu, GM Piccini, D Mendels, M Parrinello
The Journal of chemical physics 150 (9), 2019
482019
Atomic-scale observation and analysis of chemical ordering in M3B2 and M5B3 borides
XB Hu, HY Niu, XL Ma, AR Oganov, CAJ Fisher, NC Sheng, JD Liu, T Jin, ...
Acta Materialia 149, 274-284, 2018
412018
Diverse chemistry of stable hydronitrogens, and implications for planetary and materials sciences
GR Qian, H Niu, CH Hu, AR Oganov, Q Zeng, HY Zhou
Scientific Reports 6 (1), 25947, 2016
382016
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Articles 1–20