Reaching large lengths and long times in polymer dynamics simulations

A lattice model is presented for the simulation of dynamics in polymeric systems. Each polymer is represented as a chain of monomers, residing on a sequence of nearest-neighbor sites of a face-centered-cubic lattice. The polymers are self- and mutually avoiding walks: no lattice site is visited by more than one polymer, nor revisited by the same polymer after leaving it. The dynamics occurs through single-monomer displacements over one lattice spacing. To demonstrate the high computational efficiency of the model, we simulate a dense binary polymer mixture with repelling nearest-neighbor interactions between the two types of polymers, and observe the phase separation over a long period of time. The simulations consist of a total of 46,080 polymers, 100 monomers each, on a lattice with 13,824,000 sites, and an interaction strength of 0.1 kT. In the final two decades of time, the domain-growth is found to be d(t) ~ t^1/3, as expected for a so-called "Model B" system.Comment: 6 pages, 4 eps figure

Getting a kick out of the stellar disk(s) in the galactic center

Recent observations of the Galactic center revealed a nuclear disk of young OB stars, in addition to many similar outlying stars with higher eccentricities and/or high inclinations relative to the disk (some of them possibly belonging to a second disk). Binaries in such nuclear disks, if they exist in non-negligible fractions, could have a major role in the evolution of the disks through binary heating of this stellar system. We suggest that interactions with/in binaries may explain some (or all) of the observed outlying young stars in the Galactic center. Such stars could have been formed in a disk, and later on kicked out from it through binary related interactions, similar to ejection of high velocity runaway OB stars in young clusters throughout the galaxy.Comment: 2 pages, 2 figs. To be published in the proceedings of the IAU 246 symposium on "Dynamical evolution of dense stellar systems

Machine Learning Chemical Guidelines for Engineering Electronic Structures in Half-Heusler Thermoelectric Materials.

Half-Heusler materials are strong candidates for thermoelectric applications due to their high weighted mobilities and power factors, which is known to be correlated to valley degeneracy in the electronic band structure. However, there are over 50 known semiconducting half-Heusler phases, and it is not clear how the chemical composition affects the electronic structure. While all the n-type electronic structures have their conduction band minimum at either the Γ- or X-point, there is more diversity in the p-type electronic structures, and the valence band maximum can be at either the Γ-, L-, or W-point. Here, we use high throughput computation and machine learning to compare the valence bands of known half-Heusler compounds and discover new chemical guidelines for promoting the highly degenerate W-point to the valence band maximum. We do this by constructing an "orbital phase diagram" to cluster the variety of electronic structures expressed by these phases into groups, based on the atomic orbitals that contribute most to their valence bands. Then, with the aid of machine learning, we develop new chemical rules that predict the location of the valence band maximum in each of the phases. These rules can be used to engineer band structures with band convergence and high valley degeneracy

Improved Limit on theta_{13} and Implications for Neutrino Masses in Neutrino-less Double Beta Decay and Cosmology

We analyze the impact of a measurement, or of an improved bound, on theta_{13} for the determination of the effective neutrino mass in neutrino-less double beta decay and cosmology. In particular, we discuss how an improved limit on (or a specific value of) theta_{13} can influence the determination of the neutrino mass spectrum via neutrino-less double beta decay. We also discuss the interplay with improved cosmological neutrino mass searches.Comment: 22 pages, 5 figures. Minor corrections, matches version in PR

Non-Volatile Magnonic Logic Circuits Engineering

We propose a concept of magnetic logic circuits engineering, which takes an advantage of magnetization as a computational state variable and exploits spin waves for information transmission. The circuits consist of magneto-electric cells connected via spin wave buses. We present the result of numerical modeling showing the magneto-electric cell switching as a function of the amplitude as well as the phase of the spin wave. The phase-dependent switching makes it possible to engineer logic gates by exploiting spin wave buses as passive logic elements providing a certain phase-shift to the propagating spin waves. We present a library of logic gates consisting of magneto-electric cells and spin wave buses providing 0 or p phase shifts. The utilization of phases in addition to amplitudes is a powerful tool which let us construct logic circuits with a fewer number of elements than required for CMOS technology. As an example, we present the design of the magnonic Full Adder Circuit comprising only 5 magneto-electric cells. The proposed concept may provide a route to more functional wave-based logic circuitry with capabilities far beyond the limits of the traditional transistor-based approach

The organization and management of the Virtual Astronomical Observatory

The U.S. Virtual Astronomical Observatory (VAO; http://www.us-vao.org/) has been in operation since May 2010. Its goal is to enable new science through efficient integration of distributed multi-wavelength data. This paper describes the management and organization of the VAO, and emphasizes the techniques used to ensure efficiency in a distributed organization. Management methods include using an annual program plan as the basis for establishing contracts with member organizations, regular communication, and monitoring of processes.Comment: 9 pages, 3 figures. SPIE Conference 8449: Modeling, Systems Engineering, and Project Management for Astronomy