Publications of Li-Fang Zhu
All genres
Journal Article (11)
1.
Journal Article
187 (11), 110065 (2021)
A fully automated approach to calculate the melting temperature of elemental crystals. Computational Materials Science 2.
Journal Article
101 (14), 144108 (2020)
Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: Application to Al and magnetic Ni. Physical Review B 3.
Journal Article
65, pp. 79 - 85 (2019)
An insight into using DFT data for Calphad modeling of solid phases in the third generation of Calphad databases, a case study for Al. Calphad 4.
Journal Article
96 (22), 224202 (2017)
Efficient approach to compute melting properties fully from ab initio with application to Cu. Physical Review B 5.
Journal Article
11 (5), 055006 (2016)
Functional adaptation of crustacean exoskeletal elements through structural and compositional diversity: a combined experimental and theoretical study. Bioinspiration & Biomimetics 6.
Journal Article
70, pp. 92 - 104 (2014)
Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties. Acta Materialia 7.
Journal Article
45, pp. 11 - 17 (2014)
Ab initio based study of finite-temperature structural, elastic and thermodynamic properties of FeTi. Intermetallics 8.
Journal Article
15 (4), pp. 043020-1 - 043020-19 (2013)
Ab initio and atomistic study of generalized stacking fault energies in Mg and Mg–Y alloys. New Journal of Physics 9.
Journal Article
20, pp. 296 - 304 (2013)
Ab initio study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals. Journal of the Mechanical Behavior of Biomedical Materials 10.
Journal Article
60 (4), pp. 1594 - 1602 (2012)
First-principles study of the thermodynamic and elastic properties of eutectic Fe–Ti alloy. Acta Materialia 11.
Journal Article
126, pp. 101-1 - 101-22 (2011)
Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications. European Physics Journal Plus Conference Paper (2)
12.
Conference Paper
592-593, pp. 335 - 341. 7th International Conference on Materials Structure and Micromechanics of Fracture (MSMF 7), Brno, Czech Republic, July 01, 2013 - July 03, 2013. (2014)
Quantum-mechanical study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals. In: Key Engineering Materials, Vol. 13.
Conference Paper
Complementary TEM and ab ignition study on the ductilizing effect of Y in solid solution Mg–Y alloys. In: Proceedings of the 9th Intern. Conference on Magnesium alloys and their applications, pp. 467 - 472. 9th Intern. Conference on Magnesium alloys and their applications, Vancouver, Canada, July 08, 2012 - July 12, 2012. (2012)
Talk (20)
14.
Talk
Melting parameters from ab initio using the fast statistical sampling TOR-TILD approach: Applications to Al and Ni. CALPHAD XLVIII CONFERENCE, Singapore, Singapore (2019)
15.
Talk
Efficient approach to compute melting properties fully from ab initio with application to Cu. CALPHAD XLVII Conference, Querétaro, México (2018)
16.
Talk
Efficient approach to compute melting properties fully from ab initio with application to Cu. MPIE-ICAMS workshop, Ebernburg, Germany (2017)
17.
Talk
Development of methodologies to efficiently compute melting properties fully from ab initio. 2nd German-Dutch Workshop on Computational Materials Science, Domburg, The Netherlands (2016)
18.
Talk
Combined theoretical and experimental studies of ductile Mg alloys. Seminar lecture at the Technical University Bergakademie Freiberg, Freiberg, Germany (2013)
19.
Talk
Combined theoretical and experimental studies of ductile Mg alloys. International Symposium on Atomistic Modeling for Mechanics, Tokyo, Japan (2013)
20.
Talk
Ab initio stacking fault energy calculations in Mg–Y alloys. DPG Frühjahrstagung, Regensburg, Germany (2013)