Khantha, Mahadevan
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Publication Strain-Rate Dependence of the Brittle-to-Ductile Transition Temperature in TiAl(2000-11-27) Khantha, Mahadevan; Vitek, Vaclav; Pope, David PThe brittle-to-ductile transition (BDT) and the strain-rate dependence of the brittle-to-ductile transition temperature (BDTT) have been recently investigated in single crystals of TiAl [1]. It was found that the activation energy associated with the BDTT is 1.4 eV when the slip is dominated by ordinary dislocations and 4.9 eV when it is dominated by superdislocations. Despite this difference in the activation energies, the BDTT, while varying with the strain-rate, remains in the same temperature range, viz., between 516-750C and 635-685C for ordinary and superdislocations, respectively. In this paper, we examine how the activation energy of the BDTT can vary with the type of dislocation activity and explain why it can attain values which are clearly much larger than the activation energy for dislocation motion. We describe a strain-rate dependent mechanism of cooperative dislocation generation in loaded solids above a critical temperature and use it to explain the characteristics of the BDT in TiAl. We show that the activation energy associated with the BDTT is a composite value determined by two or more inter-dependent thermally activated processes and its magnitude can be much larger than the activation energy for dislocation motion in certain materials. The predictions of the model are in good agreement with observations in TiAl.Publication Interaction and Concerted Diffusion of Lithium in a (5,5) Carbon Nanotube(2008-09-25) Khantha, Mahadevan; Cordero, Nicolas A.; Alonso, J. A.; Cawkwell, M.; Girifalco, Louis A.The interaction and diffusion of lithium atoms in a (5,5) carbon nanotube is studied using density-functional theory. The Li-nanotube interaction perpendicular to the tube axis for a single Li inside and outside the tube is calculated and compared with the Li-graphene interaction obtained using the same technique. Both interactions are similar in the repulsive region but exhibit differences in their attractive part. Nevertheless, they can be described using a common parametrization. The Li-Li interaction is calculated as a function of their separation inside the tube. This interaction is similar to a screened repulsive Coulomb potential at small separations. However, at larger separations, the Li-Li interaction does not vanish and shows residual oscillations. This repulsive long-ranged interaction favors concerted diffusion of many Li atoms compared to the independent diffusion of individual Li inside the tube.Publication Dislocation Screening and the Brittle-to-Ductile Transition: A Kosterlitz-Thouless Type Instability(1994-08-01) Khantha, Mahadevan; Pope, David P; Vitek, VaclavWe propose a new model for the brittle-to-ductile transition based on the Kosterlitz-Thouless concept of dislocation screening. In this model, thermal fluctuations assisted by the applied stress drive the spontaneous generation of dislocations and the instability occurs well below the melting temperature. In the limit of zero stress, our model reduces to the Kosterlitz-Thouless theory of the melting transition, and, in the opposite limit of zero temperature, we obtain the Rice-Thomson result for the brittle-to-ductile transition.