Molecular dynamics simulations of deposition in Ni-Al system

Main Article Content

В. М. Безпальчук

Abstract

The paper presents a numeric model of the deposition by means of molecular dynamics simulations, using embedded-atom method (EAM) type potential. Simulation for Ni deposition on Al substrate was investigated in this work. The state dependence of the contact zones of Ni and Al on the deposition conditions (temperature, flux density) are found.

Article Details

Section
Materials Physics

References

1. Мержанов А. Г., Мукасьян А. С. Твердопламенное горение. – М.: ТОРУС ПРЕСС, 2007. – 336 с.
2. Hwang S.-F., Shun-Fa Hwang, Yi-Hung Li, Zheng-Han Hong. Molecular dynamic simulation for Cu cluster deposition on Si substrate // Computational Materials Science. – 2012.– V. 56. – p.85-94.
3. Kim S.-P., Lee K.-R., Chung Y.-C., Doiand M. Sahashi M. // Molecular Dynamics Study of the Deposition and the Diffusion Behaviors of Al on a Cu Surface // Journal of the Korean Physical Society. – 2008. – V. 52, No. 4. – C. 1240-1245.
4. Moarrefzadeh A. Simulation and Modeling of Physical Vapor Deposition (PVD) Process // WSEAS transactions on applied and theoretical mechanics. – 2012. – Issue 2, V. 7. – C. 106-111.
5. Storozhuk N. V., Sopiga K. V., Gusak A. M. Mean-field and quasi-phase field models of nucleation and phase competition in reactive diffusion // Philosophical Magazine. – 2013. – V. 93. – C. 1999-2012.
6. Baras F., Politano O. Molecular dynamics simulations of nanometric metallic multilayers: Reactivity of the Ni-Al system //Physical Review B84. – 2011. – P. 024113.
7. Politano O., Baras F., Mukasyan A. S., Vadchenko S. G., Rogachev A. S. Microstructure development during NiAl intermetallic synthesis in reactive Ni–Al nanolayers: Numerical investigations vs. TEM observations // Surface & Coatings Technology. – 2013. – V. 215 – p.485-492.
8. Rogachev A. S., Vadchenkova S. G., Baras F., Politano O., Rouvimov S., Sachkova N. V., Mukasyan A. S. Structure evolution and reaction mechanism in the Ni/Al reactive multilayer nanofoils // Acta Materialia. – 2014. – V. 66. – p.86-96.
9. Mishin Y., Mehl M. J., Papaconstantopoulos D. A. Embedded-atom potential for B2-NiAl // Physical Review B. – 2002. – V. 65. – P. 224114.
10. Rapaport D. C. The Art of Molecular Dynamics Simulation. – NY: Cambridge University Press, 2004. – 564 p.
11. Frenkel D., Smith B. Understanding Molecular Simulation. – San Diego: Computational Science Series Academic Press, 2002. – 658 p.