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. Meyer–Neldel (MN) formula for DC conductivity (σDC) of chalcogenide glasses is obtained using extended pair model and random free energy barriers. The integral equations for DC hopping conductivity and external conductance are solved by iterative procedure. It is found that MN energy (ΔEMN) originates from temperature-induced configurational and electronic disorders. Single polaron-correlated...
Half-lives for alpha radioactivity from proton-rich even Pb isotopes in the range A = 182–202 have been calculated using the unified fission-like approach. The geometrical shape of the potential barrier is parametrized in terms of a highly versatile, asymmetric and analytically solvable form of potential based on Ginnochio’s potential. Good agreement with the experimental data has been obtained with...
The phenomenon of proton emission is treated as a process of asymmetric fission through a one-dimensional potential barrier developed due to combined effects of the Coulomb potential, centrifugal potential and various renormalization processes. The barrier is simulated to an asymmetric, smooth and analytically solvable potential with adjustable depth, shape and range. The half-lives of proton emitters...
We present here a systematic investigation of the atomic displacements in bcc transition metal (TM) dilute alloys. We have calculated the atomic displacements in bcc (V, Cr, Fe, Nb, Mo, Ta and W) transition metals (TMs) due to 3d, 4d and 5d TMs at the substitutional site using the Kanzaki lattice static method. Wills and Harrison interatomic potential is used to calculate the atomic force constants,...
The density functional theory (DFT) is used to study the atomic interactions in transition metal-based interstitial alloys. The strain field is calculated in the discrete lattice model using Kanzaki method. The total energy and hence atomic forces between interstitial hydrogen and transition metal hosts are calculated using DFT. The norm-conserving pseudopotentials for H, Cu and Pd are generated self-consistently...
Kanzaki lattice static method is used to calculate the atomic displacements due to substitutional impurities in 3d (Cr) and 4d (Nb, Mo) metals. Wills and Harrison interatomic potential is used to calculate dynamical matrix and the impurity-induced forces up to second nearest neighbors. The calculated atomic displacements for 3d, 4d and 5d impurities in Cr (V, Mn, Fe, Ni, Nb, Mo, Ta and W), Nb (V,...
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