Molecular Dynamics Simulations of Shock-Induced Thermite Reaction

Abstract:

• Periodical: Materials Science Forum (Volumes 465-466)
• Pages: 157-162
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.465-466.157
• Online since: September 2004
• Authors: Vikas Tomar, Min Zhou
• Keywords: Interatomic Potential, Molecular Dynamic (MD), Thermite Mixture

References

[1] Tomar, V., and Zhou, M. Molecular dynamics simulation of shock-induced detonation. in Shock compression of condensed matter-2003. 2003. Portland: AIP Press.

[2] Carlsson, A.E., Beyond pair potentials in elemental transition metals and semiconductors. Solid State Physics, 1990. 43: 1-91.

DOI: 10.1016/s0081-1947(08)60323-9

[3] Baskes, M.I., Modified embedded-atom potentials for cubic materials and impurities. Phys Rev B, 1992. 46(5): 2727-2742.

DOI: 10.1103/physrevb.46.2727

[4] Parr, R.G., and Pearson, R.G., Absolute hardness: companion parameter to absolute electronegativity. J. Am. Chem. Soc., 1983. 105: 7512-7516.

DOI: 10.1021/ja00364a005

[5] Rappe, A.K., and Goddard III, W.A., Charge equilibrium in molecular dynamics simulations. J. Phys. Chem., 1991. 95: 3358-3363.

DOI: 10.1021/j100161a070

[6] Strietz, F.H., and Mintmire, J.W., Electrostatic potentials for metal-oxide surfaces and interfaces. Phys Rev B, 1994. 50(16): 11996-12003.

DOI: 10.1103/physrevb.50.11996

[7] Baskes, M.I., and Johnson, R.A., Modified embedded atom potentials for HCP metals. Modeling & Simulation Mat's Sci. & Engg, 1994. 2: 147-163.

DOI: 10.1088/0965-0393/2/1/011

[8] Besson, R., and Morillo, J., Developement of a semiempirical n-body noncentral potential for Fe-Al alloys. Phys Rev B, 1997. 55(1): 193-204.

DOI: 10.1103/physrevb.55.193

[9] Gale, J.D., and Rohl, A.L., The general utility lattice program (GULP). Molecular Simulation, 2003. 29(5): 291-341.

DOI: 10.1080/0892702031000104887

[10] Kim, Y.J., Gao, Y., and Chambers, S.A., Selective growth and characterization of pure, epitaxial alpha-Fe203(0001) and Fe304(001) films by plasma-assisted molecular beam epitaxy. Surface Science, 1997. 371: 358-370.

DOI: 10.1016/s0039-6028(96)00999-5

[11] Maillet, J. -B., and Bernard, S. Uniaxial Hugoniostat: Method and applications. in Shock Compression of Condensed Matter-2001. 2002: American Institute of Physics.