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

Model-based Cognitive Neuroscience: Multifield Mechanistic Integration in Practice

Autonomist accounts of cognitive science suggest that cognitive model building and theory construction (can or should) proceed independently of findings in neuroscience. Common functionalist justifications of autonomy rely on there being relatively few constraints between neural structure and cognitive function (e.g., Weiskopf, 2011). In contrast, an integrative mechanistic perspective stresses the mutual constraining of structure and function (e.g., Piccinini & Craver, 2011; Povich, 2015). In this paper, I show how model-based cognitive neuroscience (MBCN) epitomizes the integrative mechanistic perspective and concentrates the most revolutionary elements of the cognitive neuroscience revolution (Boone & Piccinini, 2016). I also show how the prominent subset account of functional realization supports the integrative mechanistic perspective I take on MBCN and use it to clarify the intralevel and interlevel components of integration

The low temperature interface between the gas and solid phases of hard spheres with a short-ranged attraction

At low temperature, spheres with a very short-ranged attraction exist as a close-packed solid coexisting with an infinitely dilute gas. We find that the ratio of the interfacial tension between these two phases to the thermal energy diverges as the range of the attraction goes to zero. The large tensions when the interparticle attractions are short-ranged may be why globular proteins only crystallise over a narrow range of conditions.Comment: 6 pages, no figures (v2 has change of notation to agree with that of Stell

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

Void morphology in polyethylene/carbon black composites

A combination of small angle neutron scattering (SANS) and contrast matching techniques is used to determine the size and quantity of voids incorporated during fabrication of polyethylene/carbon black composites. The analysis used to extract void morphology from SANS data is based on the three-phase model of microcrack determination via small angle x-rayscattering (SAXS) developed by W.Wu{sup 12} and applied to particulate reinforced composites

Growth methods of c-axis oriented MgB2 thin films by pulsed laser deposition

High quality MgB2 thin films have been obtained by pulsed laser deposition both on MgO and on Al2O3 substrates using different methods. In the standard two-step procedure, an amorphous precursor layer is deposited at room temperature starting both from stoichiometric target and from boron target: after this first step, it is annealed in magnesium atmosphere in order to crystallize the superconducting phase. The so obtained films show a strong c-axis orientation, evidenced by XRD analysis, a critical temperature up to 38 K and very high critical fields along the basal planes, up to 22T at 15K. Also an in situ one step technique for the realization of superconducting MgB2 thin films has been developed. In this case, the presence of an argon buffer gas during deposition is crucial and we observe a strong dependence of the quality of the deposited film on the background gas pressure. The influence of the Ar atmosphere has been confirmed by time and space-resolved spectroscopy measurements on the emission spectrum of the plume. The Ar pressure modifies strongly the plasma kinetics by promoting excitation and ionization of the plume species, especially of the most volatile Mg atoms, increasing their internal energy.Comment: Paper presented at Boromag Workshop, Genoa 17-19 June 2002, in press on SUS

Nonergodicity transitions in colloidal suspensions with attractive interactions

The colloidal gel and glass transitions are investigated using the idealized mode coupling theory (MCT) for model systems characterized by short-range attractive interactions. Results are presented for the adhesive hard sphere and hard core attractive Yukawa systems. According to MCT, the former system shows a critical glass transition concentration that increases significantly with introduction of a weak attraction. For the latter attractive Yukawa system, MCT predicts low temperature nonergodic states that extend to the critical and subcritical region. Several features of the MCT nonergodicity transition in this system agree qualitatively with experimental observations on the colloidal gel transition, suggesting that the gel transition is caused by a low temperature extension of the glass transition. The range of the attraction is shown to govern the way the glass transition line traverses the phase diagram relative to the critical point, analogous to findings for the fluid-solid freezing transition.Comment: 11 pages, 7 figures; to be published in Phys. Rev. E (1 May 1999

Detectability of Terrestrial Planets in Multi-Planet Systems: Preliminary Report

We ask if Earth-like planets (terrestrial mass and habitable-zone orbit) can be detected in multi-planet systems, using astrometric and radial velocity observations. We report here the preliminary results of double-blind calculations designed to answer this question.Comment: 10 pages, 0 figure