Related papers: Analytic binary alloy volume-concentration relatio…
In this paper, we use density functional theory to calculate the electronic structure and properties of 46 metallic and semi-metallic elements. The binding energy and bond charge model (BBC) model is combined with the tight binding and…
We present the first realization of the generalized pseudoatom concept introduced by Ball, and adopt the name enatom to minimize confusion. This enatom, which consists of a unique decomposition of the total charge density (or potential) of…
Brownian motion and viscoelasticity of semiflexible polymers is a subject that has been studied for many years. Still, rigorous analysis has been hindered due to the difficulty in handling the constraint that polymer chains cannot be…
In this paper we report on bubble growth rates and on the statistics of bubble topology for the coarsening of a dry foam contained in the narrow gap between two hemispheres. By contrast with coarsening in flat space, where six-sided bubbles…
Mathematical inequalities, combined with atomic-physics sum rules, enable one to derive lower and upper bounds for the Rosseland and/or Planck mean opacities. The resulting constraints must be satisfied, either for pure elements or…
Within the family of cubic YbCu$_4$X compounds ($X$ = Ni, Au and Zn), we have investigated the YbCu$_{5-x}$Zn$_x$ ($1\geq x \geq 0.7$) alloys by means of structural, magnetic, thermal and transport measurements. In the $\tau 1-$…
This review deals with the kinetic and thermodynamic fragility of bulk metallic glass forming liquids. The experimental methods to determine the kinetic fragility, relaxation behavior and thermodynamic functions of undercooled metallic…
We investigate mixing effects on the glass state of binary colloidal hard-sphere-like mixtures with large size asymmetry, at a constant volume fraction phi = 0.61. The structure, dynamics and viscoelastic response as a function of mixing…
We explore the range of values of the in-medium width of a $\rho$-meson at rest which is compatibale with the QCD sum rule approach in a nuclear medium assuming vector meson dominance and a Brown-Rho scaling law of the $\rho$-meson mass…
We study water between parallel metal walls under applied electric field accounting for the image effect at $T=298$ K. The electric field due to the surface charges serves to attract and orient nearby water molecules, while it tends to a…
Realistic models of amorphous ZrO2 are generated in a ``melt-and-quench'' fashion using ab-initio molecular dynamics in a plane-wave pseudopotential formulation of density-functional theory. The structural properties of the resulting…
Mean field approximation treats only coherent aspects of the evolution of a Bose Einstein condensate. However, in many experiments some atoms scatter out of the condensate. We study an analytic model of two counter-propagating atomic…
Amorphous solids or glasses are known to exhibit stretched-exponential decay over broad time intervals in several of their macroscopic observables: intermediate scattering function, dielectric relaxation modulus, time-elastic modulus etc.…
The possibility of solid solution formation in high entropy alloys (HEAs) has been calculated for alloys with four to seven elements, using a rule previously reported. Thirty elements were included: transition elements of the fourth, fifth…
The origin of the dramatic changes in the behavior of liquids as they approach their vitreous state - increases of many orders of magnitude in transport properties and dynamic time scales - is a major unsolved problem in condensed matter.…
The small wavenumber $k$ behavior of the structure factor $S(k)$ of overcompressed amorphous hard-sphere configurations was previously studied for a wide range of densities up to the maximally random jammed state, which can be viewed as a…
The accumulation of plastic deformation and flow localization in amorphous alloys under periodic shear are investigated using molecular dynamics simulations. We study a well-annealed binary mixture of one million atoms subjected to…
On the basis of the thermodynamic theory of the excluded volume effects, we show that the size exponent varies abruptly, depending on the change of the segment concentration. For linear polymers, the exponent changes discontinuously from…
An atomic-scale theory of the viscoelastic response of metallic glasses is derived from first principles, using a Zwanzig-Caldeira-Leggett system-bath Hamiltonian as a starting point within the framework of nonaffine linear response to…
Recent experiments provide evidence for density variations along shear bands (SB) in metallic glasses with a length scale of a few hundreds nanometers. Via molecular dynamics simulations of a generic binary glass model, here we show that…