ZrC Potential Construction References

General

• D. G. Pettifor, Solid State Physics 40, 43 (1987).

• M. S. Daw, S. M. Foiles, M. I. Baskes, The Embedded-Atom Method - A Review of Theory and Applications, Materials Science Reports 9, 251-310, 1993.

Tersoff

• J. Tersoff, Phys. Rev. Lett. 64, 1757 (1990).

• J. Tersoff, Phys. Rev. B 49, 16349 (1994).

TB Moment Approximation

• F. Willaime, C. Massobrio, Development of an N-Body Interatomic Potential For HCP and BCC Zirconium, Phys. Rev. B 43, 11653-11665 (1991).

• K. E. Tan, A. M. Bratkovsky, R. M. Harris, A. P. Horsfield, D. Nguyen-Manh, D. G. Pettifor, A. P. Sutton, Carbon Vacancies in Titanium Carbide, Modelling and Simulation in Materials Science and Engineering 5, 187-198, 1997; errata: ibid 6, 335, 1998.

Embedded Atom Method

• M. I. Baskes, Modified Embedded-Atom Potentials for Cubic Materials and Impurities, Phys. Rev. B 46, 2727-2742, (1992).

• M. I. Baskes and R. A. Johnson, Modified Embedded-Atom Potentials for Hcp Metals, Modelling Simul. Mater. Sci. Eng. 2 147-163 (1994).

• M. I. Baskes, in Computational Materials Modeling, eds. A. Noor and A. Needleman (ASME, NY, 1994), p. 23.

• H. C. Huang, N. M. Ghoniem, J. K. Wong, M. I. Baskes, Molecular-Dynamics Determination of Defect Energetics in beta-SiC using 3 Representative Empirical Potentials, Modelling and Simulation in Materials Science and Engineering 3, 615-627, 1995.