Hierarchy of Full Band Structure Models for Monte Carlo Simulation

This paper discusses the various hierarchy levels that are possible when the full band structure is considered. At the highest level, the scatterings are treated using complete k-k' transition rates, which entail extremely memory intensive computational applications. At the lowest level, the scattering anisotropy is neglected and the scattering rate is considered to be a constant average value on energy isosurfaces of the bandstructure. This model is more practical for device simulation. In between the two extremes, it is possible to design intermediate models which preserve some essential features of both. At all levels of the band structure hierarchy of models, there are similar issues of numerical noise, related to the sampling of real and momentum space that the Monte Carlo method necessarily performs with a relatively small number of particles. We discuss here computationally efficient approaches based on the assignment of variable weights to the simulated particles, in conjunction with careful gatherscatter procedures to split particles of large weight and combine particles of small weight

Radiative transfer on hierarchial grids

We present new methods for radiative transfer on hierarchial grids. We develop a new method for calculating the scattered flux that employs the grid structure to speed up the computation. We describe a novel subiteration algorithm that can be used to accelerate calculations with strong dust temperature self-coupling. We compute two test models, a molecular cloud and a circumstellar disc, and compare the accuracy and speed of the new algorithms against existing methods. An adaptive model of the molecular cloud with less than 8 % of the cells in the uniform grid produced results in good agreement with the full resolution model. The relative RMS error of the surface brightness <4 % at all wavelengths, and in regions of high column density the relative RMS error was only 10^{-4}. Computation with the adaptive model was faster by a factor of ~5. The new method for calculating the scattered flux is faster by a factor of ~4 in large models with a deep hierarchy structure, when images of the scattered light are computed towards several observing directions. The efficiency of the subiteration algorithm is highly dependent on the details of the model. In the circumstellar disc test the speed-up was a factor of two, but much larger gains are possible. The algorithm is expected to be most beneficial in models where a large number of small, dense regions are embedded in an environment with a lower mean density.Comment: Accepted to A&A; 13 pages, 8 figures; (v2: minor typos corrected

The ALPS project: open source software for strongly correlated systems

We present the ALPS (Algorithms and Libraries for Physics Simulations) project, an international open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models such as quantum magnets, lattice bosons, and strongly correlated fermion systems. Development is centered on common XML and binary data formats, on libraries to simplify and speed up code development, and on full-featured simulation programs. The programs enable non-experts to start carrying out numerical simulations by providing basic implementations of the important algorithms for quantum lattice models: classical and quantum Monte Carlo (QMC) using non-local updates, extended ensemble simulations, exact and full diagonalization (ED), as well as the density matrix renormalization group (DMRG). The software is available from our web server at http://alps.comp-phys.org.Comment: For full software and introductory turorials see http://alps.comp-phys.or

Fibril elongation mechanisms of HET-s prion-forming domain: Topological evidence for growth polarity

The prion-forming C-terminal domain of the fungal prion HET-s forms infectious amyloid fibrils at physiological pH. The conformational switch from the non-prion soluble form to the prion fibrillar form is believed to have a functional role, since HET-s in its prion form participates in a recognition process of different fungal strains. Based on the knowledge of the high-resolution structure of HET-s(218-289) (the prion forming-domain) in its fibrillar form, we here present a numerical simulation of the fibril growth process which emphasizes the role of the topological properties of the fibrillar structure. An accurate thermodynamic analysis of the way an intervening HET-s chain is recruited to the tip of the growing fibril suggests that elongation proceeds through a dock and lock mechanism. First, the chain docks onto the fibril by forming the longest $\beta$-strands. Then, the re-arrangement in the fibrillar form of all the rest of molecule takes place. Interestingly, we predict also that one side of the HET-s fibril is more suitable for substaining its growth with respect to the other. The resulting strong polarity of fibril growth is a consequence of the complex topology of HET-s fibrillar structure, since the central loop of the intervening chain plays a crucially different role in favouring or not the attachment of the C-terminus tail to the fibril, depending on the growth side.Comment: 16 pages, 10 figure

The Long-Baseline Neutrino Experiment: Exploring Fundamental Symmetries of the Universe

The preponderance of matter over antimatter in the early Universe, the dynamics of the supernova bursts that produced the heavy elements necessary for life and whether protons eventually decay --- these mysteries at the forefront of particle physics and astrophysics are key to understanding the early evolution of our Universe, its current state and its eventual fate. The Long-Baseline Neutrino Experiment (LBNE) represents an extensively developed plan for a world-class experiment dedicated to addressing these questions. LBNE is conceived around three central components: (1) a new, high-intensity neutrino source generated from a megawatt-class proton accelerator at Fermi National Accelerator Laboratory, (2) a near neutrino detector just downstream of the source, and (3) a massive liquid argon time-projection chamber deployed as a far detector deep underground at the Sanford Underground Research Facility. This facility, located at the site of the former Homestake Mine in Lead, South Dakota, is approximately 1,300 km from the neutrino source at Fermilab -- a distance (baseline) that delivers optimal sensitivity to neutrino charge-parity symmetry violation and mass ordering effects. This ambitious yet cost-effective design incorporates scalability and flexibility and can accommodate a variety of upgrades and contributions. With its exceptional combination of experimental configuration, technical capabilities, and potential for transformative discoveries, LBNE promises to be a vital facility for the field of particle physics worldwide, providing physicists from around the globe with opportunities to collaborate in a twenty to thirty year program of exciting science. In this document we provide a comprehensive overview of LBNE's scientific objectives, its place in the landscape of neutrino physics worldwide, the technologies it will incorporate and the capabilities it will possess.Comment: Major update of previous version. This is the reference document for LBNE science program and current status. Chapters 1, 3, and 9 provide a comprehensive overview of LBNE's scientific objectives, its place in the landscape of neutrino physics worldwide, the technologies it will incorporate and the capabilities it will possess. 288 pages, 116 figure

Monte Carlo Study of Supernova Neutrino Spectra Formation

The neutrino flux and spectra formation in a supernova core is studied by using a Monte Carlo code. The dominant opacity contribution for nu_mu and nu_tau is elastic scattering on nucleons. In addition we switch on or off a variety of processes which allow for the exchange of energy or the creation and destruction of neutrino pairs, notably nucleon bremsstrahlung, the e^+ e^- pair annihilation process and nu_e-bar nu_e -> nu_{mu,tau} nu_{mu,tau}-bar, recoil and weak magnetism in elastic nucleon scattering, elastic scattering on electrons and positrons and elastic scattering on electron neutrinos and anti-neutrinos. The least important processes are neutrino-neutrino scattering and e^+ e^- annihilation. The formation of the spectra and fluxes of nu_mu is dominated by the nucleonic processes, i.e. bremsstrahlung and elastic scattering with recoil, but also nu_e nu_e-bar annihilation and nu_mu e^\pm scattering contribute significantly. When all processes are included, the spectral shape of the emitted neutrino flux is always ``pinched,'' i.e. the width of the spectrum is smaller than that of a thermal spectrum with the same average energy. In all of our cases we find that the average nu_mu-bar energy exceeds the average nu_e-bar energy by only a small amount, 10% being a typical number. Weak magnetism effects cause the opacity of nu_mu to differ slightly from that of nu_mu-bar, translating into differences of the luminosities and average energies of a few percent. Depending on the density, temperature, and composition profile, the flavor-dependent luminosities L_{nu_e}$, L_{nu_e-bar}, and L_{nu_mu} can mutually differ from each other by up to a factor of two in either direction.Comment: 33 pages, 16 eps-figs, submitted to ApJ. Sections added: weak magnetism, discussion of different analytic fits to the spectra and detailed spectral shap

A statistical study of the luminosity gap in galaxy groups

The luminosity gap between the two brightest members of galaxy groups and clusters is thought to offer a strong test for the models of galaxy formation and evolution. This study focuses on the statistics of the luminosity gap in galaxy groups, in particular fossil groups, e.g. large luminosity gap, in an analogy with the same in a cosmological simulation. We use spectroscopic legacy data of seventh data release (DR7) of SDSS, to extract a volume limited sample of galaxy groups utilizing modified friends-of-friends (mFoF) algorithm. Attention is paid to galaxy groups with the brightest group galaxy (BGG) more luminous than \Mr = -22. An initial sample of 620 groups in which 109 optical fossil groups, where the luminosity gap exceeds 2 magnitude, were identified. We compare the statistics of the luminosity gap in galaxy groups at low mass range from the SDSS with the same in the Millennium simulations where galaxies are modeled semi-analytically. We show that the BGGs residing in galaxy groups with large luminosity gap, i.e. fossil groups, are on average brighter and live in lower mass halos with respect to their counter parts in non-fossil systems. Although low mass galaxy groups are thought to have recently formed, we show that in galaxy groups with 15 galaxies brighter than $M_r\ge -19.5$, evolutionary process are most likely to be responsible for the large luminosity gap. We also examine a new probe of finding fossil group. In addition we extend the recently introduced observational probe based on the luminosity gap, the butterfly diagram, to galaxy groups and study the probe as a function of halo mass. This probe can, in conjunction with the luminosity function, help to fine tune the semi-analytic models of galaxies employed in the cosmological simulations.Comment: 11 pages, 11 figures, accepted to PASP journa

Probing seed black holes using future gravitational-wave detectors

Identifying the properties of the first generation of seeds of massive black holes is key to understanding the merger history and growth of galaxies. Mergers between ~100 solar mass seed black holes generate gravitational waves in the 0.1-10Hz band that lies between the sensitivity bands of existing ground-based detectors and the planned space-based gravitational wave detector, the Laser Interferometer Space Antenna (LISA). However, there are proposals for more advanced detectors that will bridge this gap, including the third generation ground-based Einstein Telescope and the space-based detector DECIGO. In this paper we demonstrate that such future detectors should be able to detect gravitational waves produced by the coalescence of the first generation of light seed black-hole binaries and provide information on the evolution of structure in that era. These observations will be complementary to those that LISA will make of subsequent mergers between more massive black holes. We compute the sensitivity of various future detectors to seed black-hole mergers, and use this to explore the number and properties of the events that each detector might see in three years of observation. For this calculation, we make use of galaxy merger trees and two different seed black hole mass distributions in order to construct the astrophysical population of events. We also consider the accuracy with which networks of future ground-based detectors will be able to measure the parameters of seed black hole mergers, in particular the luminosity distance to the source. We show that distance precisions of ~30% are achievable, which should be sufficient for us to say with confidence that the sources are at high redshift.Comment: 14 pages, 6 figures, 2 tables, accepted for proceedings of 13th GWDAW meetin