A molecular-dynamics algorithm for mixed hard-core/continuous potentials

We present a new molecular-dynamics algorithm for integrating the equations of motion for a system of particles interacting with mixed continuous/impulsive forces. This method, which we call Impulsive Verlet, is constructed using operator splitting techniques similar to those that have been used successfully to generate a variety molecular-dynamics integrators. In numerical experiments, the Impulsive Verlet method is shown to be superior to previous methods with respect to stability and energy conservation in long simulations.Comment: 18 pages, 6 postscript figures, uses rotate.st

Induced radioactivity in LDEF components

A systematic study of the induced radioactivity of the Long Duration Exposure Facility (LDEF) is being carried out in order to gather information about the low earth orbit radiation environment and its effects on materials. The large mass of the LDEF spacecraft, its stabilized configuration, and long mission duration have presented an opportunity to determine space radiation-induced radioactivities with a precision not possible before. Data presented include preliminary activities for steel and aluminum structural samples, and activation subexperiment foils. Effects seen in the data show a clear indication of the trapped proton anisotropy in the South Atlantic Anomaly and suggest contributions from different sources of external radiation fluxes

Induced activation study of LDEF

Analysis of the induced radioactivity of the Long Duration Exposure Facility (LDEF) is continuing with extraction of specific activities for various spacecraft materials. Data and results of activation measurements from eight facilities are being collected for interpretation at Eastern Kentucky University and NASA/Marshall Space Flight Center. The major activation mechanism in LDEF components is the proton flux in the South Atlantic Anomaly (SAA). This flux is highly anisotropic, and could be sampled by taking advantage of the gravity-gradient stabilization of the LDEF. The directionally-dependent activation due to these protons was clearly observed in the data from aluminum experiment tray clamps (reaction product Na-22), steel trunnions (reaction product Mn-54 and others) and is also indicated by the presence of a variety of nuclides in other materials. A secondary production mechanism, thermal neutron capture, was observed in cobalt, indium, and tantalum, which are known to have large capture cross sections. Experiments containing samples of these metals and significant amounts of thermalizing low atomic number (Z) material showed clear evidence of enhanced activation of Co-60, In-114m, and Ta-182. Other mechanisms which activate spacecraft material that are not as easily separable from SAA proton activation, such as galactic proton bombardment and secondary production by fast neutrons, are being investigated by comparison to radiation environmental calculations. Deviations from one-dimensional radiation models indicate that these mechanisms are more important at greater shielding depths. The current status of the induced radioactivity measurements as of mid-year 1992 are reviewed. Specific activities for a number of materials which show SAA effects and thermal neutron capture are presented. The results for consistency by combining data from the participating institutions is also examined

Collection, analysis, and archival of LDEF activation data

The study of the induced radioactivity of samples intentionally placed aboard the Long Duration Exposure Facility (LDEF) and samples obtained from the LDEF structure is reviewed. The eight laboratories involved in the gamma-ray counting are listed and the scientists and the associated counting facilities are described. Presently, most of the gamma-ray counting has been completed and the spectra are being analyzed and corrected for efficiency and self absorption. The acquired spectra are being collected at Eastern Kentucky University for future reference. The results of these analyses are being compiled and reviewed for possible inconsistencies as well as for comparison with model calculations. These model calculations are being revised to include the changes in trapped-proton flux caused by the onset of the period of maximum solar activity and the rapidly decreasing spacecraft orbit. Tentative plans are given for the storage of the approximately 1000 gamma-ray spectra acquired in this study and the related experimental data

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

Particle Dark Energy

We explore the physics of a gas of particles interacting with a condensate that spontaneously breaks Lorentz invariance. The equation of state of this gas varies from 1/3 to less than -1 and can lead to the observed cosmic acceleration. The particles are always stable. In our particular class of models these particles are fermions with a chiral coupling to the condensate. They may behave as relativistic matter at early times, produce a brief period where they dominate the expansion with w<0 today, and behave as matter at late time. There are no small parameters in our models, which generically lead to dark energy clustering and, depending on the choice of parameters, smoothing of small scale power.Comment: 8 pages, 5 figures; minor update with added refs; version appearing in Phys. Rev.

Adjusting the melting point of a model system via Gibbs-Duhem integration: application to a model of Aluminum

Model interaction potentials for real materials are generally optimized with respect to only those experimental properties that are easily evaluated as mechanical averages (e.g., elastic constants (at T=0 K), static lattice energies and liquid structure). For such potentials, agreement with experiment for the non-mechanical properties, such as the melting point, is not guaranteed and such values can deviate significantly from experiment. We present a method for re-parameterizing any model interaction potential of a real material to adjust its melting temperature to a value that is closer to its experimental melting temperature. This is done without significantly affecting the mechanical properties for which the potential was modeled. This method is an application of Gibbs-Duhem integration [D. Kofke, Mol. Phys.78, 1331 (1993)]. As a test we apply the method to an embedded atom model of aluminum [J. Mei and J.W. Davenport, Phys. Rev. B 46, 21 (1992)] for which the melting temperature for the thermodynamic limit is 826.4 +/- 1.3K - somewhat below the experimental value of 933K. After re-parameterization, the melting temperature of the modified potential is found to be 931.5K +/- 1.5K.Comment: 9 pages, 5 figures, 4 table

Conditional operation of a spin qubit

We report coherent operation of a singlet-triplet qubit controlled by the arrangement of two electrons in an adjacent double quantum dot. The system we investigate consists of two pairs of capacitively coupled double quantum dots fabricated by electrostatic gates on the surface of a GaAs heterostructure. We extract the strength of the capacitive coupling between qubit and double quantum dot and show that the present geometry allows fast conditional gate operation, opening pathways to multi-qubit control and implementation of quantum algorithms with spin qubits.Comment: related papers here: http://marcuslab.harvard.ed

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