| abstract • the speaker • poster |
Abstract Understanding of phase stability in alloys is of significant importance to metallurgists and materials scientists. Very often this is achieved by means of semi-empirical theories. However, it is desirable to have theories with predicting capabilities. With the recent development of ab initio electronic structure techniques and powerful statistical mechanical methods, it has now become possible to have first-principles theories without any prior knowledge from experiments. This in turn provides us with the possibility of having theories that finally aim at designing of materials with desirable material properties. In the present talk we shall focus on first-principles theories of alloy phase transitions coupling various concepts borrowed from ab initio electronic structure calculations, physics of disordered materials and statistical mechanics. We shall discuss the application and scope of such theories.
The Speaker Tanusri Saha Dasgupta is a Reader at the S. N. Bose National Center for Basic Sciences, Kolkata. She is a Condensed Matter Physicist who specializes in electronic structure calculations, tight-binding Hamiltonians, strongly correlated materials, disordered systems, and thermodynamics of alloys.
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