Related papers: Analytic binary alloy volume-concentration relatio…
We study the influence of composition changes on the glass transition of binary hard disc and hard sphere mixtures in the framework of mode coupling theory. We derive a general expression for the slope of a glass transition line. Applied to…
We consider an electronic bound state of the usual, non-relativistic, molecular Hamiltonian with Coulomb interactions and fixed nuclei. Away from appropriate collisions, we prove the real analyticity of all the reduced densities and density…
Enormous enhancement in the viscosity of a liquid near its glass transition is generally connected to the growing many-body static correlations near the transition, often coined as `amorphous ordering'. Estimating the length scales of such…
The thermodynamic properties of the Zr-Nb alloy are investigated at temperatures below 890 K with ab initio calculations. The solution energies of the bcc Nb-rich and hcp Zr-rich solid solutions obtained within the framework of density…
It has been known that the binary replica liquid theory (RLT) is inconsistent with its one-component counterpart; In the limit that all atoms are identical, the configurational entropy and thus the glass transition point calculated by the…
The effect of tensile stress applied during cooling of binary glasses on the potential energy states and mechanical properties is investigated using molecular dynamics simulations. We study the three-dimensional binary mixture that was…
The focusing of atoms interacting with both far-detuned and resonant standing wave fields in the thin lens regime is considered. The thin lens approximation is discussed quantitatively from a quantum perspective. Exact quantum expressions…
A complete suppression of the exponential decay in a qubit (interacting with a squeezed vacuum reservoir) can be achieved by frequent measurements of adequately chosen observables. The observables and initial states (Zeno subspace) for…
Systematic exploration of amorphous ABC heterostructures revealed that nanoscale morphological modifications markedly improved their artificial bulk second-order susceptibility. These amorphous birefringent heterostructures were fabricated…
Inelastic neutron scattering measurements on the hexagonal Zn67Mg33S semiconductor alloy reveal a bimodal pattern of the optical modes across the Brillouin zone, confirmed by first-principles simulations. Such modes are sensitive to the…
The problem of representing laminated structures by an equivalent volume and determining the elastic constants of this equivalent volume from the layer properties is a fundamental issue in the analysis of composite and multilayered systems.…
First principles calculations were performed to study the structural, elastic, and bonding properties of hcp ZrxTi1-x binary alloy. The special quasi- random structure (SQS) method is employed to mimic the random hcp ZrxTi1-x alloy. It is…
Solid solution effects on the strength of the finest nanocrystalline grain sizes are studied with molecular dynamics simulations of different Cu-based alloys. We find evidence of both solid solution strengthening and softening, with trends…
We consider the disordering dynamics of an interacting binary alloy with a small admixture of vacancies which mediate atom-atom exchanges. Starting from a perfectly phase-segregated state, the system is rapidly heated to a temperature in…
In this article, we derive a general form of local volume-averaging theory and apply it to a model of zinc-air conversion batteries. Volume-averaging techniques are frequently used for the macroscopic description of micro-porous electrodes.…
Recent computational investigations in polymeric and non-polymeric binary mixtures have reported anomalous relaxation features when both components exhibit very different mobilities. Anomalous relaxation is characterized by sublinear power…
We study the viscoelasticity of surface polymer monolayers by measuring the dynamics of thermal concentration fluctuations with surface light scattering. For various systems of proteins and synthetic polymers we find a semi-dilute regime in…
Structural relaxation in binary hard spherical particles has been shown recently to exhibit a wealth of remarkable features when size disparity or mixture's composition is varied. In this paper, we test whether or not similar dynamical…
Diffusion invariably involves motion within a medium. An universal behavior observed is that self diffusivity exhibits a maximum as a function of the size of the diffusant when the diffusant is confined to a medium, as a result of what is…
We present quantum molecular dynamics calculations of thermophysical properties of solid and liquid zirconium in the vicinity of melting. An overview of available experimental data is also presented. We focus on the analysis of thermal…