We have calculated binding surfaces for cla changes (along the Bain path) and changes of the atomic volume of metallic systems undergoing martensitic transformations. We find characteristic differences between the surfaces of nonmagnetic systems (with a close packed low temperature structure) and magnetic systems (with a less close packed low temperature structure). The ab initio calculations h...

This paper is dedicated to the memory of Clifford Truesdell, to whom I acknowledge my debt and gratitude. I present some recent results of mine on thermomechanics of crystalline solids, a research on which I began working during my stay at The Johns Hopkins University, 1977–1979. Then, in the last section, I mention some unusual merits of Truesdell, which I experienced in my scientific career a...

The pressure-induced phase transformations in pure LiAlH4 have been studied using in situ Raman spectroscopy up to 7 GPa. The analyses of Raman spectra reveal a phase transition at approximately 3 GPa from the ambient pressure monoclinic alpha-LiAlH4 phase (P2(1)/c) to a high pressure phase (beta-LiAlH4, reported recently to be monoclinic with space group I4(1)/b) having a distorted [AlH4]- tet...

We present a method to identify transition states and minimum energy paths for martensitic solid-solid phase transformations, thereby allowing quantification of the activation energies of such transformations. Our approach is a generalization of a previous method for identifying transition states for chemical reactions, namely the climbing image-nudged elastic band algorithm, where here the glo...

The algebra of generalized linear quantum canonical transformations is examined in the perspective of Schwinger’s unitary-canonical operator basis. Formulation of the quantum phase problem within the theory of quantum canonical transformations and in particular with the generalized quantum action-angle phase space formalism is established and it is shown that the conceptual foundation of the qu...

We present efficient implementations of a number of operations for quantum computers. These include controlled phase adjustments of the amplitudes in a superposition, permutations, approximations of transformations and generalizations of the phase adjustments to block matrix transformations. These operations generalize those used in proposed quantum search algorithms.