X-ray structures permit theoretical study of Cl(-) permeation along bacterial ClC Cl(-) pores. We determined the lowest energy curvilinear pathway, identified anion-coordinating amino acids, and calculated the electrostatic potential energy profiles. We find that all four bacterial ClC Cl(-) crystal structures correspond to closed states. E148 and S107 side chains form steric barriers on both s...

The present work is aimed at analyzing the thermoelastic disturbances in a circular plate of finite thickness and infinite extent subjected to constant initial temperature and axisymmetric heat supply. Integral transform technique is used. Analytic solutions for temperature, displacement and stresses are derived within the context of unified system of equations in generalized thermoelasticity i...

We couple the recently developed self-learning metabasin escape algorithm, which enables efficient exploration of the potential energy surface (PES), with shear deformation to elucidate strain-rate and temperature effects on the shear transformation zone (STZ) characteristics in two-dimensional amorphous solids. In doing so, we report a transition in the STZ characteristics that can be obtained...

The dynamics of individual colloidal particles in random potential energy landscapes was investigated experimentally and by Monte Carlo simulations. The value of the potential at each point in the two-dimensional energy landscape follows a Gaussian distribution. The width of the distribution, and hence the degree of roughness of the energy landscape, was varied and its effect on the particle dy...

this paper is concerned with investigation of vertical impedance function of a surface rigid circular foundation resting on a semi-infinite transversely isotropic alluvium. to this end, the equations of motion in cylindrical coordinate system, which because of axissymmetry are two coupled equations, are converted into one partial differential equation using a method of potential function. the g...

In this paper, a radially piezoelectric functionally graded rotating disk is investigated by the analytical solution. The variation of material properties is assumed to follow a power law along the radial direction of the disk. Two resulting fully coupled differential equations in terms of the displacement and electric potential are solved directly. Numerical results for different profiles of i...