Development of orthogonal tight-binding models for Ti-C and Ti-N systems

Parameterization of tight-binding models from density functional theory calculations

(2011) A. Urban et al.   PHYSICAL REVIEW B

Structural stability of polymeric nitrogen: A first-principles investigation

(2010) Xiaoli Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Understanding why the thinnestSiNxinterface in transition-metal nitrides is stronger than the ideal bulk crystal

(2010) R. F. Zhang et al.   PHYSICAL REVIEW B

The roles of grain boundary and interfacial energies in the grain growth of nanocomposite films

(2009) X. J. Hu et al.   APPLIED PHYSICS LETTERS

PHON: A program to calculate phonons using the small displacement method

(2009) Dario Alfè   COMPUTER PHYSICS COMMUNICATIONS

First-principles calculations of mechanical properties of TiC and TiN

(2009) Y. Yang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Tight-binding potential for atomistic simulations of carbon interacting with transition metals: Application to the Ni-C system

(2009) H. Amara et al.   PHYSICAL REVIEW B

Vacancies, interstitials and their complexes in titanium carbide

(2008) L. Tsetseris et al.   ACTA MATERIALIA

Modified embedded-atom method interatomic potentials for the Ti–C and Ti–N binary systems

(2008) Young-Min Kim et al.   ACTA MATERIALIA

Self-lubricating Ti–C–N nanocomposite coatings prepared by double magnetron sputtering

(2008) D. Martínez-Martínez et al.   SOLID STATE SCIENCES

Industrial applications of superhard nanocomposite coatings

(2008) Stan Veprek et al.   SURFACE & COATINGS TECHNOLOGY