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Li-Fang Zhu
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The relation between ductility and stacking fault energies in Mg and Mg–Y alloys
S Sandlöbes, M Friák, S Zaefferer, A Dick, S Yi, D Letzig, Z Pei, LF Zhu, ...
Acta Materialia 60 (6-7), 3011-3021, 2012
5692012
Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties
S Sandlöbes, Z Pei, M Friák, LF Zhu, F Wang, S Zaefferer, D Raabe, ...
Acta Materialia 70, 92-104, 2014
2972014
Ab initio and atomistic study of generalized stacking fault energies in Mg and Mg–Y alloys
Z Pei, LF Zhu, M Friák, S Sandlöbes, J von Pezold, HW Sheng, CP Race, ...
New Journal of Physics 15 (4), 043020, 2013
1322013
Efficient approach to compute melting properties fully from ab initio with application to Cu
LF Zhu, B Grabowski, J Neugebauer
Physical Review B 96 (22), 224202, 2017
742017
Nitrogen defects and ferromagnetism in Cr-doped dilute magnetic semiconductor AlN from first principles
LJ Shi, LF Zhu, YH Zhao, BG Liu
Physical Review B 78 (19), 195206, 2008
562008
Functional adaptation of crustacean exoskeletal elements through structural and compositional diversity: a combined experimental and theoretical study
HO Fabritius, A Ziegler, M Friák, S Nikolov, J Huber, BHM Seidl, ...
Bioinspiration & biomimetics 11 (5), 055006, 2016
502016
First-principles study of the thermodynamic and elastic properties of eutectic Fe–Ti alloys
LF Zhu, M Friák, A Dick, B Grabowski, T Hickel, F Liot, D Holec, ...
Acta materialia 60 (4), 1594-1602, 2012
492012
Ab initio study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals
LF Zhu, M Friák, L Lymperakis, H Titrian, U Aydin, AM Janus, HO Fabritius, ...
Journal of the mechanical behavior of biomedical materials 20, 296-304, 2013
432013
Half-metallic ferromagnets based on the rock-salt IV–VI semiconductor GeTe
YH Zhao, WH Xie, LF Zhu, BG Liu
Journal of Physics: Condensed Matter 18 (45), 10259, 2006
412006
An insight into using DFT data for Calphad modeling of solid phases in the third generation of Calphad databases, a case study for Al
S Bigdeli, LF Zhu, A Glensk, B Grabowski, B Lindahl, T Hickel, M Selleby
Calphad 65, 79-85, 2019
362019
Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications
M Friák, T Hickel, B Grabowski, L Lymperakis, A Udyansky, A Dick, D Ma, ...
The European Physical Journal Plus 126, 1-22, 2011
342011
A fully automated approach to calculate the melting temperature of elemental crystals
LF Zhu, J Janssen, S Ishibashi, F Körmann, B Grabowski, J Neugebauer
Computational Materials Science 187, 110065, 2021
292021
Ab initio based study of finite-temperature structural, elastic and thermodynamic properties of FeTi
LF Zhu, M Friák, A Udyansky, D Ma, A Schlieter, U Kühn, J Eckert, ...
Intermetallics 45, 11-17, 2014
242014
Distorted magnetic orders and electronic structures of tetragonal FeSe from first principles
YF Li, LF Zhu, SD Guo, YC Xu, BG Liu
Journal of Physics: Condensed Matter 21 (11), 115701, 2009
212009
Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: Application to Al and magnetic Ni
LF Zhu, F Körmann, AV Ruban, J Neugebauer, B Grabowski
Physical Review B 101 (14), 144108, 2020
202020
Striped antiferromagnetism and electronic structures of SrFeAsF and their implications
LF Zhu, BG Liu
Europhysics Letters 85 (6), 67009, 2009
162009
Stability and size effect of silica nanotube
C Xu, J Cao, L Zhu, C Gao
Acta Physico-Chimica Sinica 22 (4), 451-455, 2006
142006
Density functional study on silica clusters (SiO2) nO (2) H (4)
C Xu, LF Zhu, CY Gao, J Cao
ACTA PHYSICO-CHIMICA SINICA 22 (2), 152-155, 2006
52006
Quantum-mechanical study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals
M Friák, LF Zhu, L Lymperakis, H Titrian, U Aydin, AM Janus, HO Fabritius, ...
Key Engineering Materials 592, 335-341, 2014
32014
Curie temperatures of cubic (Ga, Mn) N diluted magnetic semiconductors from the RKKY spin model
LF Zhu, BG Liu
Journal of Physics: Condensed Matter 21 (44), 446005, 2009
22009
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