## Publications

T. C. Germann J. Wang, X. Y. Liu, and I. J. Beyerlein. Role of interface structure on the plastic response of Cu/Nb nanolaminates under shock compression: Non-equilibrium molecular dynamics simulations,**R. F.****Zhang**,**Scripta Materialia 68, 114 (2013).**D. Legut, Z. J. Lin, Y. S. Zhao, H. K. Mao, and S. Veprek. Stability and strength of transition-metal tetraborides and triborides,**R. F.****Zhang**,**Physical Review Letters 108, 255502 (2012).**- S. M. Wang, X. H. Yu, Z. J. Lin,
D. W. He, J. Q. Qin, J. L. Zhu, J. T. Han, L. Wang, H. K. Mao, J. Z. Zhang, and Y. S. Zhao. Synthesis, crystal structure, and elastic properties of novel tungsten nitrides,**R. F.****Zhang**,**Chemistry of Materials 24, 3023 (2012).** J. Wang, I. J. Beyerlein, A. Misra, and T. C. Germann. Atomic-scale study of nucleation of dislocations from fcc/bcc interfaces,**R. F.****Zhang**,**Acta Materialia 60, 2855 (2012).**J. Wang, I. J. Beyerlein, and T. C. Germann. Dislocation nucleation mechanisms from fcc/bcc incoherent interfaces,**R. F.****Zhang**,**Scripta Materialia 65, 1022 (2011).****R. F.****Zhang**, Z. J. Lin, and S. Veprek. Anisotropic ideal strengths of superhard monoclinic and tetragonal carbon and their electronic origin,**Physical Review B 83, 155452 (2011).**- S. H. Sheng
**, R. F. Zhang**and S. Veprek. Study of spinodal decomposition and formation of nc-Al_{2}O_{3}/ZrO_{2 }nanocomposites by combined*ab initio*density functional theory and thermodynamic modeling,**Acta Materialia 59, 3498 (2011)**. Z. J. Lin, Y. S. Zhao, and S. Veprek. Superhard materials with low elastic moduli: Three-dimensional covalent bonding as the origin of superhardness in B**R. F.****Zhang,**_{6}O,**Physical Review B****83**, 092101**(2011)**.**R. F.****Zhang,**Z. J. Lin, Ho-Kwang Mao, and Y. S. Zhao. Thermodynamic stability and unusual strength of ultraincompressible rhenium nitrides,**Physical Review B 83, 060101 (R) (2011).**- S. H. Sheng,
**R. F. Zhang**and S. Veprek. Phase stabilities and decomposition mechanism in the Zr-Si-N system studied by combined*ab initio*DFT and thermodynamic calculation,**Acta Materialia 59, 297 (2011).** **R. F.****Zhang,**D. Legut, R. Niewa, A. S. Argon and S. Veprek. Shear-induced structural transformation and plasticity in ultra-incompressible ReB_{2 }limit its hardness,**Physical Review B****82****, 104104 (2010).****R. F.****Zhang,**A. S. Argon and S. Veprek. Understanding why the thinnest SiN_{x}interface in transition metal nitrides is stronger than ideal, bulk crystal,**Physical Review B****81**,**245418 (2010)****.****R. F.****Zhang,**S. Veprek and A. S. Argon. Effect of nanometer-sized grains on the superhardness of c-BC_{5}: A first-principles study,**Physical Review B 80,****233401****(2009)****.****R. F.****Zhang,**A. S. Argon, and S. Veprek. Electronic Structure, Stability, and Mechanism of the De-Cohesion and Shear of Interfaces in Superhard Nanocomposites and Heterostructures,**Physical Review B 79,****245426****(2009)****.****R. F. Zhang,**S. H. Sheng and S. Veprek. On the anisotropic shear resistance of hard transition metal nitrides TMN (TM = Ti,Zr,Hf),**Applied Physics Letters****94, 121903****(2009)**.**R. F.****Zhang,**A. S. Argon and S. Veprek. Friedel Oscillations are Limiting the Strength of Superhard Nanocomposites and Heterostructures.**Physical Review Letters****102, 015503****(2009)****.****R. F.****Zhang**and S. Veprek. Deformation paths and atomistic mechanism of B4->B1 phase transformation in aluminium nitride,**Acta Materialia 57, 2259****(2009)****.****R. F.****Zhang,**S. Veprek and A. S. Argon. Anisotropic ideal strengths and chemical bonding of wurtzite BN in comparison to zincblende BN.**Physical Review B 77,****172103****(2008)****.**- S. H. Sheng,
**R. F. Zhang**and S. Veprek. Phase stabilities and thermal decomposition in Zr_{1-x}AlN system studied by_{x}*ab initio*calculation and thermodynamic modeling,**Acta Materialia 56, 968-976 (2008).** **R. F.****Zhang,**S. H. Sheng and S. Veprek. Stability of Ti-B-N solid solutions and the formation of nc-TiN/a-BN nanocomposites studied by combined*ab initio*and thermodynamic calculations.**Acta Materialia 56, 4440****(2008)****.****R. 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.**Applied Physics Letters****91, 201914****(2007)****.****R. F**.**Zhang**and S. Veprek. Crystalline-to-amorphous transition in Ti_{1-x}Si_{x}N solid solution system and stability of fcc SiN studied by combined*ab initio*density functional theory and thermodynamic calculations,**Physical Review B 76,****174105****(2007)****.****R. F.****Zhang,**S. H. Sheng and S. Veprek. Mechanism of the B3 to B1 transformation in cubic AlN under uniaxial stress.**Physical Review B****76, 075208****(2007)****.****R. F.****Zhang,**S. H. Sheng and S. Veprek. First principles studies of ideal strength and bonding nature of AlN polymorphs in comparison to TiN.**Applied Physics Letters 91, 031906****(2007)****.****R. F.****Zhang**and S. Veprek. Phase stabilities and spinodal decomposition in Cr_{1-x}AlN system studied by_{x}*ab initio*LDA and thermodynamic modeling: Comparison with Ti_{1-x}Al_{x}N and TiN/Si_{3}N_{4}system,**Acta Materialia 55, 4615****(2007)****.****R. F.****Zhang,**S. H. Sheng and S. Veprek. Mechanical strengths of silicon nitrides studied by*ab initio*calculations.**Applied Physics Letters 90, 191903****(2007)****.****R. F.****Zhang,**H. F. Yan, Y. X. Shen and B. X. Liu. Formation of amorphous alloys by ion beam mixing and its multi-scale theoretical modeling in the equilibrium immiscible Sc-W system.**Journal of Physical Chemistry B 109, 4391****(2005)****.****R. F.****Zhang**, Y. Kongand B. X. Liu. Construction of n-body potentials of the hcp-bcc metal systems under the framework of embedded atom method.**Physical Review B 71, 214102****(2005)****.**- L. T. Kong,
**R. F. Zhang**, Z. C. Li and B. X. Liu. Magnetic moments of Co and Co-Ag alloys in equilibrium/nonequilibrium structures studied by ab initio calculations.**Physical Review B 68, 13446(1-5) (2003).** **R. F.****Zhang**and B. X. Liu. Proposed model for calculating the standard formation enthalpy of binary transition-metal systems.**Applied Physics Letters 81, 1219****(2002)****.**