Dr. Ruifeng Zhang


Academic positionLecturer, Assistant Professor, Researcher
Research fieldsProduction and Properties of Functional Materials,Thermodynamics and Kinetics, the Properties of Phases and Structure of Materials,Experimental Condensed Matter Physics
KeywordsMD simulation, Superhard nanocomposites, Thermodynamics, ab initio DFT calculation, nitrides, boride, oxide, etc. metallic compounds

Current contact address

CountryUnited States of America
CityLos Alamos
InstitutionLos Alamos National Laboratory
InstituteTheoretical Division

Host during sponsorship

Prof. Dr. Wolfgang DomckeLehrstuhl für Theoretische Chemie, Technische Universität München, Garching
Prof. Dr. Stan VeprekDepartment Chemie, Technische Universität München, Garching
Start of initial sponsorship01/01/2006


2005Humboldt Research Fellowship Programme

Publications (partial selection)

2007Veprek S., Veprek-Heijman M. G. J. and Zhang, R. F. Chemistry, physics and fracture mechanics in search for superhard materials, and the origin of superhardness in nc-TiN/a-Si3N4 and related nanocomposites. In: J. Phys. Chem. Solids, 2007, 1161-1168
2007R. F. Zhang and S. Veprek: Crystalline-to-amorphous transition in Ti1-xSixN solid solution system and stability of fcc SiN studied by combined ab initio density functional theory and thermodynamic calculations. In: Physical Review B, 2007, 174105
2007Zhang, R. F., Sheng, S. H. and Veprek, S. First principles studies of ideal strength and bonding nature of AlN polymorphs in comparison to TiN, . In: Appl. Phys. Lett. , 2007, 031906
2007R. F. Zhang, S. Veprek, and A. S. Argon Mechanical and electronic properties of hard rhenium diboride of low elastic compressibility studied by first-principles calculation. In: Applied Physics Letters, 2007, 201914
2007Zhang, R. F., Sheng, S. H. and Veprek, S. Mechanical strengths of silicon nitrides studied by ab initio calculations. In: Appl. Phys. Lett. 90, 191903., 2007, 191903
2007Zhang, R. F., Sheng, S. H. and Veprek, S.: Mechanism of the B3 to B1 transformation in cubic AlN under uniaxial stress, Physical Review B. In: Physical Review B, 2007, 075208
2007Zhang, R. F., Veprek, S. Metastable phases and spinodal decomposition in Ti1-xAlxN system studied by ab initio and thermodynamic modeling, a comparison with the TiN¿Si3N4 system. In: Materials Science and Engineering A , 2007, 111
2007Zhang, R. F., and Veprek, S. Phase stabilities and spinodal decomposition in Cr1-xAlxN system studied by ab initio LDA and thermodynamic modeling: Comparison with Ti1-xAlxN and TiN/Si3N4 System. In: Acta Materialia , 2007, 4615
2007Zhang, R. F., Sheng, S. H. and Liu, B. X. Predicting the formation enthalpies of binary intermetallic compounds. In: Chemical Physics Letter, 2007, 511-514