Swetha Ganeshan

Research Interests

First-principles calculations of thermodynamic, elastic and diffusion properties in metals.

Metals: Mg based alloys, Ti based alloys

Current Research

First-principles calculations of self-diffusion of and impurity diffusion in Ti based alloys.

First-principles calculations of impurity diffusion coefficients of RE (Rare earth metals) in Mg

CALPHAD application to steel

Publications

1. First-principles calculations of impurity diffusion coefficients in dilute Mg alloys using the 8-frequency model, Acta Mater.,(accepted January 2010)

2. A first-principles study of self-diffusion in hcp Mg and Zn, Comput. Mater. Sci., vol. 50, (2010), 301-307, http://dx.doi.org/10.1016/j.commatsci.2010.08.019

3. Temperature dependent elastic coefficients of Mg2X (X= Si, Ge, Sn, Pb) compounds from first-principles calculations, J. Alloys Compd., vol. 498 (2), 2010, 191-198, http://dx.doi.org/10.1016/j.jallcom.2010.03.153

4. Computational Modeling of Effects of Alloying Elements on Elastic Coefficients, Scr. Mater. 63 (2010) 686–691 http://dx.doi.org/10.1016/j.scriptamat.2010.03.049

5. First-principles calculations of pure elements: Equations of state and elastic stiffness constants, Comput. Mater. Sci., vol. 48 (4), 2010, 813-826, http://dx.doi.org/10.1016/j.commatsci.2010.03.041

6. Computational Modeling of the Effects of Alloying Elements on Elastic Coefficients, Scripta Mater. vol. 63 (2010) 686–691, http://dx.doi.org/10.1016/j.scriptamat.2010.03.049

7. Effect of alloying elements on the elastic properties of Mg from first-principles calculations, Acta Mater., vol. 57, 2009, 3876-3884, http://dx.doi.org/10.1016/j.actamat.2009.04.038

8. Elastic constants of binary Mg compounds from first-principles calculations, Intermetallics, vol. 17, 2009, 313-318, http://dx.doi.org/10.1016/j.intermet.2008.11.005

9. Development and application of thermodynamic database for Mg alloys, JOM, vol. 60 (12), 2008, 45-47. http://dx.doi.org/10.1007/s11837-008-0165-1