Search results for "Atomic packing factor"
showing 10 items of 35 documents
Glass transition of hard spheres in high dimensions
2009
We have investigated analytically and numerically the liquid-glass transition of hard spheres for dimensions $d\to \infty $ in the framework of mode-coupling theory. The numerical results for the critical collective and self nonergodicity parameters $f_{c}(k;d) $ and $f_{c}^{(s)}(k;d) $ exhibit non-Gaussian $k$ -dependence even up to $d=800$. $f_{c}^{(s)}(k;d) $ and $f_{c}(k;d) $ differ for $k\sim d^{1/2}$, but become identical on a scale $k\sim d$, which is proven analytically. The critical packing fraction $\phi_{c}(d) \sim d^{2}2^{-d}$ is above the corresponding Kauzmann packing fraction $\phi_{K}(d)$ derived by a small cage expansion. Its quadratic pre-exponential factor is different fr…
Hard-sphere fluids in annular wedges: density distributions and depletion potentials.
2009
We analyze the density distribution and the adsorption of solvent hard spheres in an annular slit formed by two large solute spheres or a large solute and a wall at close distances by means of fundamental measure density functional theory, anisotropic integral equations and simulations. We find that the main features of the density distribution in the slit are described by an effective, two--dimensional system of disks in the vicinity of a central obstacle. For large solute--solvent size ratios, the resulting depletion force has a straightforward geometrical interpretation which gives a precise "colloidal" limit for the depletion interaction. For intermediate size ratios 5...10 and high sol…
High-pressure stability and compressibility ofAPO4(A=La, Nd, Eu, Gd, Er, and Y) orthophosphates: An x-ray diffraction study using synchrotron radiati…
2010
Room-temperature angle-dispersive x-ray diffraction measurements on zircon-type ${\text{YPO}}_{4}$ and ${\text{ErPO}}_{4}$, and monazite-type ${\text{GdPO}}_{4}$, ${\text{EuPO}}_{4}$, ${\text{NdPO}}_{4}$, and ${\text{LaPO}}_{4}$ were performed in a diamond-anvil cell up to 30 GPa using neon as pressure-transmitting medium. In the zircon-structured oxides we found evidence of a reversible pressure-induced structural phase transformation from zircon to a monazite-type structure. The onset of the transition is at 19.7 GPa in ${\text{YPO}}_{4}$ and 17.3 GPa in ${\text{ErPO}}_{4}$. In ${\text{LaPO}}_{4}$ a nonreversible transition is found at 26.1 GPa and a barite-type structure is proposed for …
Structure of Liquids
2014
An Introduction to the description of the static structure of simple liquids is given. The principle quantity, which describes this structure is the structure factor, which can be measured with neutron and X-ray diffraction. The structure factor is the Fourier transform of the radial pair distribution function, which describes the statistics of the atoms around a given one. Several theories are introduced for calculating this quantities. It is shown that the structure of liquid metals is dominated by their hardcore repulsion. In the low-wavenumber limit the structure factor is related to the compressibility of the liquid. In this limit deviations from the hard-core model become importent, w…
Electrophoresis of model colloidal spheres in low salt aqueous suspension
2004
We report on comprehensive measurements of the electrophoretic mobility μ of a highly charged spherical colloid in deionized or low salt aqueous suspensions, where fluid and crystalline order develops with increased packing fraction Φ. We propose the existence of a 'universal' shape of the μ(Φ) showing three distinct regimes: a logarithmic increase, a plateau and a logarithmic decrease. The position and the height of the plateau are found to be influenced by the particle surface properties and the electrolyte concentration. In particular, it starts once the counter-ion concentration becomes equal to the concentration of background electrolyte. This coincides only loosely with the range of Φ…
Simulation of the dynamics of hard ellipsoids
2008
We study a system of uniaxial hard ellipsoids by molecular dynamics simulations, changing both the aspect-ratio X-0 (X-0 = a/b, where a is the length of the revolution axis and b is the length of the two other axes) and the packing fraction phi. We calculate the translational and rotational mean squared displacements, the translational D-trans and the rotational D-rot diffusion coefficients and the associated isodiffusivity lines in the phi - X-0 plane. For the first time, we characterize the cage effect through the logarithmic time derivative of log and log . These quantities exhibit a minimum if the system is supercooled and we show that, consistently with our previous findings, for large…
Progress in the benchmark exercise for analyzing the lithiate breeder pebble bed thermo-mechanical behaviour
2006
The Helium Cooled Pebble Bed (HCPB) Blanket is one of the reference concepts for the European Breeding Blanket Programme for DEMO. In the reference blanket module, alternate layers of lithiated ceramics and beryllium pebbles act, respectively, as tritium breeder and neutron multiplier. The thermo-mechanical behaviour of both the pebble beds and their performances in reactor relevant conditions are also dependent on the pebble size and cell geometries (bed thickness, pebble packing factor, bed thermal conductivity). Therefore, in the EU Fusion Technology Programme, several out-of-pile experimental test campaigns have been performed to determine these behaviours. Theoretical calculations have…
A neutron tomography study: Probing the spontaneous crystallization of randomly packed granular assemblies
2018
We study the spontaneous crystallization of an assembly of highly monodisperse steel spheres under shaking, as it evolves from localized icosahedral ordering towards a packing reaching crystalline ordering. Towards this end, real space neutron tomography measurements on the granular assembly are carried out, as it is systematically subjected to a variation of frequency and amplitude. As expected, we see a presence of localized icosahedral ordering in the disordered initial state (packing fraction around 0.62). As the frequency is increased for both the shaking amplitudes (0.2 and 0.6 mm) studied here, there is a rise in packing fraction, accompanied by an evolution to crystallinity. The ext…
Hard sphere fluids at a soft repulsive wall: A comparative study using Monte Carlo and density functional methods
2011
Hard-sphere fluids confined between parallel plates at a distance D apart are studied for a wide range of packing fractions including also the onset of crystallization, applying Monte Carlo simulation techniques and density functional theory. The walls repel the hard spheres (of diameter σ) with a Weeks-Chandler-Andersen (WCA) potential V(WCA)(z) = 4ε[(σ(w)/z)(12) - (σ(w)/z)(6) + 1/4], with range σ(w) = σ/2. We vary the strength ε over a wide range and the case of simple hard walls is also treated for comparison. By the variation of ε one can change both the surface excess packing fraction and the wall-fluid (γ(wf)) and wall-crystal (γ(wc)) surface free energies. Several different methods t…
Small-Angle Scattering from Phase-Separated Metallic Alloys: From Experiment to Phase Diagrams
1994
In this paper, phase-separated metallic alloys are described in terms of concentration fluctuations. As a consequence, Small Angle Scattering equations which allow to calculate the entire scattering curve by incorporating particle-particle interference effects on the basis of the Percus-Yevick formalism, are obtained. It is shown that, for Aluminium-Lithium alloys, satisfactory fits of the experimental data can be obtained if it is assumed that Li rich elliptical monodisperse precipitate particles approach each other at average distances which are larger than the sum of the hard-sphere particle radii. It is also shown that a possible ambiguity of this model, within the Percus-Yevick formali…