Weighted-density approximation for general nonuniform fluid mixtures

In order to construct a general density-functional theory for nonuniform fluid mixtures, we propose an extension to multicomponent systems of the weighted-density approximation (WDA) of Curtin and Ashcroft [Phys. Rev. A 32, 2909 (1985)]. This extension corrects a deficiency in a similar extension proposed earlier by Denton and Ashcroft [Phys. Rev. A 42, 7312 (1990)], in that that functional cannot be applied to the multi-component nonuniform fluid systems with spatially varying composition, such as solid-fluid interfaces. As a test of the accuracy of our new functional, we apply it to the calculation of the freezing phase diagram of a binary hard-sphere fluid, and compare the results to simulation and the Denton-Ashcroft extension.Comment: 4 pages, 4 figures, to appear in Phys. Rev. E as Brief Repor

Cu/Ag EAM Potential Optimized for Heteroepitaxial Diffusion from ab initio Data

A binary embedded-atom method (EAM) potential is optimized for Cu on Ag(111) by fitting to ab initio data. The fitting database consists of DFT calculations of Cu monomers and dimers on Ag(111), specifically their relative energies, adatom heights, and dimer separations. We start from the Mishin Cu-Ag EAM potential and first modify the Cu-Ag pair potential to match the FCC/HCP site energy difference then include Cu-Cu pair potential optimization for the entire database. The optimized EAM potential reproduce DFT monomer and dimer relative energies and geometries correctly. In trimer calculations, the potential produces the DFT relative energy between FCC and HCP trimers, though a different ground state is predicted. We use the optimized potential to calculate diffusion barriers for Cu monomers, dimers, and trimers. The predicted monomer barrier is the same as DFT, while experimental barriers for monomers and dimers are both lower than predicted here. We attribute the difference with experiment to the overestimation of surface adsorption energies by DFT and a simple correction is presented. Our results show that the optimized Cu-Ag EAM can be applied in the study of larger Cu islands on Ag(111).Comment: 15 pages, 7 figure

Bursts in a fiber bundle model with continuous damage

We study the constitutive behaviour, the damage process, and the properties of bursts in the continuous damage fiber bundle model introduced recently. Depending on its two parameters, the model provides various types of constitutive behaviours including also macroscopic plasticity. Analytic results are obtained to characterize the damage process along the plastic plateau under strain controlled loading, furthermore, for stress controlled experiments we develop a simulation technique and explore numerically the distribution of bursts of fiber breaks assuming infinite range of interaction. Simulations revealed that under certain conditions power law distribution of bursts arises with an exponent significantly different from the mean field exponent 5/2. A phase diagram of the model characterizing the possible burst distributions is constructed.Comment: 9 pages, 11 figures, APS style, submitted for publicatio

Direct calculation of the hard-sphere crystal/melt interfacial free energy

We present a direct calculation by molecular-dynamics computer simulation of the crystal/melt interfacial free energy, $\gamma$, for a system of hard spheres of diameter $\sigma$. The calculation is performed by thermodynamic integration along a reversible path defined by cleaving, using specially constructed movable hard-sphere walls, separate bulk crystal and fluid systems, which are then merged to form an interface. We find the interfacial free energy to be slightly anisotropic with $\gamma$ = 0.62$\pm 0.01$, 0.64$\pm 0.01$ and 0.58$\pm 0.01 k_BT/\sigma^2$ for the (100), (110) and (111) fcc crystal/fluid interfaces, respectively. These values are consistent with earlier density functional calculations and recent experiments measuring the crystal nucleation rates from colloidal fluids of polystyrene spheres that have been interpreted [Marr and Gast, Langmuir {\bf 10}, 1348 (1994)] to give an estimate of $\gamma$ for the hard-sphere system of $0.55 \pm 0.02 k_BT/\sigma^2$, slightly lower than the directly determined value reported here.Comment: 4 pages, 4 figures, submitted to Physical Review Letter

Light particle spectra from 35 MeV/nucleon 12C-induced reactions on 197Au

Energy spectra for p, d, t, 3He, 4He, and 6He from the reaction 12C+197Au at 35 MeV/nucleon are presented. A common intermediate rapidity source is identified using a moving source fit to the spectra that yields cross sections which are compared to analogous data at other bombarding energies and to several different models. The excitation function of the composite to proton ratios is compared with quantum statistical, hydrodynamic, and thermal models

Forced Chemical Vapor Infiltration of Tubular Geometries: Modeling, Design, and Scale-Up

In advanced indirectly fired coal combustion systems and externally fired combined cycle concepts, ceramic heat exchangers are required to transfer heat from the hot combustion gases to the clean air that drives the gas turbines. For high efficiencies, the temperature of the turbine inlet needs to exceed 1,100 C and preferably be about 1,260 C. The heat exchangers will operate under pressure and experience thermal and mechanical stresses during heating and cooling, and some transients will be severe under upset conditions. Silicon carbide-matrix composites appear promising for such applications because of their high strength at elevated temperature, light weight, thermal and mechanical shock resistance, damage tolerance, and oxidation and corrosion resistance. The development of thick-walled, tubular ceramic composites has involved investigations of different fiber architectures and fixturing to obtain optimal densification and mechanical properties. The current efforts entail modeling of the densification process in order to increase densification uniformity and decrease processing time. In addition, the process is being scaled to produce components with a 10 cm outer diameter

Failure Probabilities and Tough-Brittle Crossover of Heterogeneous Materials with Continuous Disorder

The failure probabilities or the strength distributions of heterogeneous 1D systems with continuous local strength distribution and local load sharing have been studied using a simple, exact, recursive method. The fracture behavior depends on the local bond-strength distribution, the system size, and the applied stress, and crossovers occur as system size or stress changes. In the brittle region, systems with continuous disorders have a failure probability of the modified-Gumbel form, similar to that for systems with percolation disorder. The modified-Gumbel form is of special significance in weak-stress situations. This new recursive method has also been generalized to calculate exactly the failure probabilities under various boundary conditions, thereby illustrating the important effect of surfaces in the fracture process.Comment: 9 pages, revtex, 7 figure

Time dependence of breakdown in a global fiber-bundle model with continuous damage

A time-dependent global fiber-bundle model of fracture with continuous damage is formulated in terms of a set of coupled non-linear differential equations. A first integral of this set is analytically obtained. The time evolution of the system is studied by applying a discrete probabilistic method. Several results are discussed emphasizing their differences with the standard time-dependent model. The results obtained show that with this simple model a variety of experimental observations can be qualitatively reproduced.Comment: APS style, two columns, 4 figures. To appear in Phys. Rev.

Soap Froths and Crystal Structures

We propose a physical mechanism to explain the crystal symmetries found in macromolecular and supramolecular micellar materials. We argue that the packing entropy of the hard micellar cores is frustrated by the entropic interaction of their brush-like coronas. The latter interaction is treated as a surface effect between neighboring Voronoi cells. The observed crystal structures correspond to the Kelvin and Weaire-Phelan minimal foams. We show that these structures are stable for reasonable areal entropy densities.Comment: 4 pages, RevTeX, 2 included eps figure

A Randomized and Blinded Study for the Treatment of Glenohumeral Internal Rotation Range of Motion Restriction: The Prone-Passive Stretching Technique

A Randomized and Blinded Study for the Treatment of Glenohumeral Internal Rotation Range of Motion Restriction: The Prone-Passive Stretching Technique Background: Prior research has focused on specific interventions to reduce the symptoms of glenohumeral internal rotation deficit (GIRD) and posterior glenohumeral (GH) tightness; however, clinicians often utilize a prone stretching technique instead for which a lack of evidence exists to support the use of. Hypothesis: Improvements in GH Internal rotation (IR) range of motion (ROM) will be greater in a group of overhead athletes using a prone-passive stretching technique than for overhead athletes using a cross-body stretching technique. Design: Randomized and blinded comparative research study Methods: 34 asymptomatic overhead athletes exhibiting ≥ 10° of GH IR deficit randomly received either 12 prone-passive (n=17) or cross-body (n=17) stretching treatments for the deficit over a consecutive 28 day period. Measures of IR and external rotation (ER) for both the dominant and non-dominant shoulders were taken with a modified digital inclinometer before and after participants underwent 12 treatments over a consecutive 28-day period in either the prone-passive or cross-body group. Results: Analysis revealed increased dominant shoulder IR ROM and total motion, whereas IR deficit decreased for both groups, but no group differences. Gain scores for the prone-passive and cross-body respectively: IR ROM (13.23° ± 7.78°, 8.47° ± 8.71°), IR deficit (-12.64° ± 11.49°, -9.13 ± 8.33°), and total motion (14.81° ± 11.27°, 9.97° ± 11.99°). Conclusion: The prone-passive stretching technique is as effective as the cross-body technique at improving IR ROM, IR deficit, and total motion in the shoulder joint in participants with IR deficit. Clinical Relevance: Accounting for IR deficits in the overhead athlete shoulder is effectively managed through both clinician-assisted and self-stretching techniques. Clinicians treating overhead athletes with greater limitations in IR ROM may find the prone-passive technique advantageous when compared to the cross-body technique. Key Words: shoulder, GIRD, stretching, overhead athlete