ﻻ يوجد ملخص باللغة العربية
The isothermal compressibility of a general crystal is analyzed within classical density functional theory. Our approach can be used for homogeneous and unstrained crystals containing an arbitrarily high density of local defects. We start by coarse-graining the microscopic particle density and then obtain the long wavelength limits of the correlation functions of elasticity theory and the thermodynamic derivatives. We explicitly show that the long wavelength limit of the microscopic density correlation function differs from the isothermal compressibility. It also cannot be obtained from the static structure factor measured in a scattering experiment. We apply our theory to crystals consisting of soft particles which can multiply occupy lattice sites (cluster crystals). The multiple occupancy results in a strong local disorder over an extended range of temperatures. We determine the cluster crystals isothermal compressibility, the fluctuations of the lattice occupation numbers and their correlation functions, and the dispersion relations. We also discuss their low-temperature phase diagram.
Recent experiments have found that applied electric fields can induce motion of skyrmions in chiral nematic liquid crystals. To understand the magnitude and direction of the induced motion, we develop a coarse-grained approach to describe dynamics of
When a colloid is mixed with a depletant such as a non-adsorbing polymer, one observes attractive effective interactions between the colloidal particles. If these particles are anisotropic, analysis of these effective interactions is challenging in g
Using concepts from integral geometry, we propose a definition for a local coarse-grained curvature tensor that is well-defined on polygonal surfaces. This coarse-grained curvature tensor shows fast convergence to the curvature tensor of smooth surfa
A first-principle multiscale modeling approach is presented, which is derived from the solution of the Ornstein-Zernike equation for the coarse-grained representation of polymer liquids. The approach is analytical, and for this reason is transferable
Integral equation theory is applied to a coarse-grained model of water to study potential of mean force between hydrophobic solutes. Theory is shown to be in good agreement with the available simulation data for methane-methane and fullerene-fulleren