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Articles 3061 - 3090 of 4092
Full-Text Articles in Physical Sciences and Mathematics
Planetary Nebula Velocities In The Disc And Bulge Of M31, C. Halliday, D. Carter, T. J. Bridges, Z. C. Jackson, M. I. Wilkinson, D. P. Quinn, N. W. Evans, N. G. Douglas, H. R. Merrett, Aaron J. Romanowsky, K. Kuijken, M. J. Irwin
Planetary Nebula Velocities In The Disc And Bulge Of M31, C. Halliday, D. Carter, T. J. Bridges, Z. C. Jackson, M. I. Wilkinson, D. P. Quinn, N. W. Evans, N. G. Douglas, H. R. Merrett, Aaron J. Romanowsky, K. Kuijken, M. J. Irwin
Faculty Publications
We present radial velocities for a sample of 723 planetary nebulae in the disc and bulge of M31, measured using the WYFFOS fibre spectrograph on the William Herschel Telescope. Velocities are determined using the [O III] λ5007 emission line. Rotation and velocity dispersion are measured to a radius of 50 arcmin (11.5 kpc), the first stellar rotation curve and velocity dispersion profile for M31 to such a radius. Our kinematics are consistent with rotational support at radii well beyond the bulge effective radius of 1.4 kpc, although our data beyond a radius of 5 kpc are limited. We present tentative …
Wide-Field Kinematics Of Globular Clusters In The Leo I Group, G. Bergond, S. E. Zepf, Aaron J. Romanowsky, R. M. Sharples, K. L. Rhode
Wide-Field Kinematics Of Globular Clusters In The Leo I Group, G. Bergond, S. E. Zepf, Aaron J. Romanowsky, R. M. Sharples, K. L. Rhode
Faculty Publications
We present wide-field spectroscopy of globular clusters around the Leo I group galaxies NGC 3379 and NGC 3384 using the FLAMES multi-fibre instrument at the VLT. We obtain accurate radial velocities for 42 globular clusters (GCs) in total, 30 for GCs around the elliptical NGC 3379, eight around the lenticular NGC 3384, and four which may be associated with either galaxy. These data are notable for their large radial range extending from 0$\farcm$7 to 14$\farcm$5 (2 to 42 kpc) from the centre of NGC 3379, and small velocity uncertainties of about 10 km s-1. We combine our sample of 30 …
The Araucaria Project. An Accurate Distance To Ngc 6822 From Near-Infrared Photometry Of Cepheid Variables, W. Gieren, G. Pietrzyński, K. Nalewajko, I. Soszyński, F. Bresolin, R.-P. Kudritzki, D. Minniti, Aaron J. Romanowsky
The Araucaria Project. An Accurate Distance To Ngc 6822 From Near-Infrared Photometry Of Cepheid Variables, W. Gieren, G. Pietrzyński, K. Nalewajko, I. Soszyński, F. Bresolin, R.-P. Kudritzki, D. Minniti, Aaron J. Romanowsky
Faculty Publications
We have measured near-infrared magnitudes in the J and K bands for 56 Cepheid variables in the Local Group galaxy NGC 6822 with well-determined periods and optical light curves in the V and I bands. Using the template light-curve approach of Soszyński and coworkers, accurate mean magnitudes were obtained from these data, which allowed us to determine with unprecedented accuracy the distance to NGC 6822 from a multiwavelength period-luminosity solution in the VIJK bands. From our data, we obtain a distance to NGC 6822 of (m - M)0 = 23.312 ± 0.021 (random error) mag, with an additional systematic uncertainty …
Introducing Semantics In Web Personalization: The Role Of Ontologies, Magdalini Eirinaki, Dimitrios Mavroeidis, George Tsatsaronis, Michalis Vazirgiannis
Introducing Semantics In Web Personalization: The Role Of Ontologies, Magdalini Eirinaki, Dimitrios Mavroeidis, George Tsatsaronis, Michalis Vazirgiannis
Faculty Publications
Web personalization is the process of customizing a web site to the needs of each specific user or set of users. Personalization of a web site may be performed by the provision of recommendations to the users, high-lighting/adding links, creation of index pages, etc. The web personalization systems are mainly based on the exploitation of the navigational patterns of the web site’s visitors. When a personalization system relies solely on usage-based results, however, valuable information conceptually related to what is finally recommended may be missed. The exploitation of the web pages’ semantics can considerably improve the results of web usage …
Structure And Vibrational Spectra Of Mononitrated Benzo [A] Pyrenes., Kefa Karimu Onchoke, Christopher M. Hadad, Prabir K. Dutta
Structure And Vibrational Spectra Of Mononitrated Benzo [A] Pyrenes., Kefa Karimu Onchoke, Christopher M. Hadad, Prabir K. Dutta
Faculty Publications
The molecules benzo[a]pyrene (BaP) and 1-, 3-, and 6-nitrobenzo[a]pyrene (1-NBaP, 3-NBaP, 6-NBaP) are currently of significant interest due to their presence in respirable combustion exhaust particulates and their mutagenic and carcinogenic properties. Structure−function correlations as well as spectroscopic signatures for trace analysis are necessary for these benzo[a]pyrene derivatives. In this paper, detailed infrared and Raman spectroscopic data of BaP and its three mononitrated isomers are provided for the first time. By utilizing density functional theory (DFT, B3LYP method with 6-311+G** basis set), the molecular geometries and the vibrational spectra are calculated. Good agreement is …
Estimating Hydrodynamic Quantities In The Presence Of Microscopic Fluctuations, Alejandro Garcia
Estimating Hydrodynamic Quantities In The Presence Of Microscopic Fluctuations, Alejandro Garcia
Faculty Publications
This paper discusses the evaluation of hydrodynamic variables in the presence of spontaneous fluctuations, such as in molecular simulations of fluid flows. The principal point is that hydrodynamic variables such as fluid velocity and temperature must be defined in terms of mechanical variables such as momentum and energy density). Because these relations are nonlinear and because fluctuations of mechanical variables are correlated, care must be taken to avoid introducing a bias when evaluating means, variances, and correlations of hydrodynamic variables. The unbiased estimates are formulated; some alternative, incorrect approaches are presented as cautionary warnings. The expressions are verified by numerical …
Oxygen Depletion In The Gulf Of Mexico Adjacent To The Mississippi River, Nancy N. Rabalais, R. Eugene Turner
Oxygen Depletion In The Gulf Of Mexico Adjacent To The Mississippi River, Nancy N. Rabalais, R. Eugene Turner
Faculty Publications
The seasonal formation of a bottom water layer severely depleted in dissolved oxygen has become a perennial occurrence on the Louisiana continental shelf adjacent to the Mississippi River system. Dramatic changes have occurred in this coastal ecosystem in the last half of the 20th century as the loads of dissolved inorganic nitrogen tripled. There are increases in primary production, shifts in phytoplankton community composition, changes in trophic interactions, and worsening severity of hypoxia. The hypoxic conditions (dissolved oxygen less than 2 mg l-1) cover up to 22,000 km2 of the seabed in mid-summer. Dissolved oxygen concentrations seldom decrease to anoxia, …
The "Fair" Triathlon: Equating Standard Deviations Using Bayesian Nonlinear Models, Gilbert W. Fellingham, C. Shane Reese, S. Mckay Curtis
The "Fair" Triathlon: Equating Standard Deviations Using Bayesian Nonlinear Models, Gilbert W. Fellingham, C. Shane Reese, S. Mckay Curtis
Faculty Publications
The Ironman triathlon was created in 1978 by combining events with the longest distances for races then contested in Hawaii in swimming, cycling, and running. The Half Ironman triathlon was formed using half the distances of each of the events in the Ironman. The Olympic distance triathlon was created by combining events with the longest distances for races sanctioned by the major federations for swimming, cycling, and running. The relative importance of each event in overall race outcome was not given consideration when determining the distances of each of the races in modern triathlons. Thus, there is a general belief …
Maldi-Tof Baseline Drift Removal Using Stochastic Bernstein Approximation, Joseph Kolibal, Daniel Howard
Maldi-Tof Baseline Drift Removal Using Stochastic Bernstein Approximation, Joseph Kolibal, Daniel Howard
Faculty Publications
Stochastic Bernstein (SB) approximation can tackle the problem of baseline drift correction of instrumentation data. This is demonstrated for spectral data: matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF) data. Two SB schemes for removing the baseline drift are presented: iterative and direct. Following an explanation of the origin of the MALDI-TOF baseline drift that sheds light on the inherent difficulty of its removal by chemical means, SB baseline drift removal is illustrated for both proteomics and genomics MALDI-TOF data sets. SB is an elegant signal processing method to obtain a numerically straightforward baseline shift removal method as it includes a …
Adaptive Finite Element Methods For Elliptic Pdes Based On Conforming Centroidal Voronoi-Delaunay Triangulations, Lili Ju, Max Gunzburger, Weidong Zhao
Adaptive Finite Element Methods For Elliptic Pdes Based On Conforming Centroidal Voronoi-Delaunay Triangulations, Lili Ju, Max Gunzburger, Weidong Zhao
Faculty Publications
A new triangular mesh adaptivity algorithm for elliptic PDEs that combines a posteriori error estimation with centroidal Voronoi–Delaunay tessellations of domains in two dimensions is proposed and tested. The ability of the first ingredient to detect local regions of large error and the ability of the second ingredient to generate superior unstructured grids result in a mesh adaptivity algorithm that has several very desirable features, including the following. Errors are very well equidistributed over the triangles; at all levels of refinement, the triangles remain very well shaped, even if the grid size at any particular refinement level, when viewed globally, …
Hydrodynamic Description Of The Adiabatic Piston, Alejandro Garcia, M. M. Mansour
Hydrodynamic Description Of The Adiabatic Piston, Alejandro Garcia, M. M. Mansour
Faculty Publications
A closed macroscopic equation for the motion of the two-dimensional adiabatic piston is derived from standard hydrodynamics. It predicts a damped oscillatory motion of the piston towards a final rest position, which depends on the initial state. In the limit of large piston mass, the solution of this equation is in quantitative agreement with the results obtained from both hard disk molecular dynamics and hydrodynamics. The explicit forms of the basic characteristics of the piston’s dynamics, such as the period of oscillations and the relaxation time, are derived. The limitations of the theory’s validity, in terms of the main system …
Mathematically Modeling The Effects Of Counting Factor (Cf) In Dictyostelium Discoideum, J. C. Dallon, W. Jang, R. H. Gomer
Mathematically Modeling The Effects Of Counting Factor (Cf) In Dictyostelium Discoideum, J. C. Dallon, W. Jang, R. H. Gomer
Faculty Publications
Size regulation is a crucial feature in many biological systems, with misregulation leading to dysplasia or hyperplasia. The recent discovery of counting factor (CF) in Dictyostelium discoideum will lead to a greater understanding of how the system regulates the size of a group of cells. In this paper we mathematically model the known effects of CF using two different models: a cellular automata model and a discrete continuum hybrid model. With the use of these models we are able to understand how modulation of adhesion and motile forces by CF can facilitate stream breakup. In addition, the modelling suggests a …
New Orleans, The Chesapeake, And The Future Of Environmental Assessment: Overcoming The Natural Resources Law Of Unintended Consequences, Erin Ryan
Faculty Publications
No abstract provided.
High-Temperature Calcium Vapor Cell For Spectroscopy On The 4s2 1s0-4s4p 3p1 Intercombination Line, Christopher J. Erickson, Brian Neyenhuis, Dallin S. Durfee
High-Temperature Calcium Vapor Cell For Spectroscopy On The 4s2 1s0-4s4p 3p1 Intercombination Line, Christopher J. Erickson, Brian Neyenhuis, Dallin S. Durfee
Faculty Publications
We have demonstrated a high-temperature vapor cell for absorption spectroscopy on the Ca intercombination line. The cell uses a dual-chamber design to achieve the high temperatures necessary for an optically dense vapor while avoiding the necessity of high-temperature vacuum valves and glass-to-metal seals. We have observed over 50% absorption in a single pass through the cell. Although pressure broadening in the cell prevented us from performing saturated-absorption spectroscopy, the broadening resulted in higher signal-to-noise ratios by allowing us to probe the atoms with intensities much greater than the 0.2µW/cm2 saturation intensity of the unbroadened transition. The techniques presented in this …
Nonmetal Ordering In Tic1-Xnx: Ground-State Structure And The Effects Of Finite Temperature, Gus L. W. Hart, Brian Kolb
Nonmetal Ordering In Tic1-Xnx: Ground-State Structure And The Effects Of Finite Temperature, Gus L. W. Hart, Brian Kolb
Faculty Publications
The TiC1-xNx system has long been prized in industry because of its desirable thermodynamic and hardness characteristics. Previous studies have not produced comprehensive results describing the ordering tendencies of TiC1-xNx at any temperature. We apply the mixed-basis cluster expansion and Monte Carlo methods to the problem and find a fascinating array of ground-state structures occurring at precise nitrogen-concentration intervals of ∆x=1/16 and related to each other by simple (201) quasisuperlattice motifs. Thermodynamic Monte Carlo results indicate that the critical ordering temperatures at all concentrations are well below room temperature. short-range ordering develops at T ≈ 800 K and exhibits the …
Laser-Controlled Local Magnetic Field With Semiconductor Quantum Rings, Yuriy V. Pershin Dr, Carlo Piermarocchi
Laser-Controlled Local Magnetic Field With Semiconductor Quantum Rings, Yuriy V. Pershin Dr, Carlo Piermarocchi
Faculty Publications
We analyze theoretically the dynamics of N electrons localized in a narrow semiconductor quantum ring under a train of phase-locked infrared laser pulses. The pulse sequence is designed to control the total angular momentum of the electrons. The quantum ring can be put in states characterized by strong currents. The local magnetic field created by these currents can be used for a selective quantum control of single spins in semiconductor systems. The current generation in quantum rings with finite width is also studied.
Spin-Photovoltaic Effect In Quantum Wires Due To Intersubband Transitions, Arkady Fedorov, Yuriy V. Pershin Dr, Carlo Piermarocchi
Spin-Photovoltaic Effect In Quantum Wires Due To Intersubband Transitions, Arkady Fedorov, Yuriy V. Pershin Dr, Carlo Piermarocchi
Faculty Publications
We consider the current induced in a quantum wire by external electromagnetic radiation. The photocurrent is caused by the interplay of spin-orbit interaction (Rashba and Dresselhaus terms) and an external in-plane magnetic field. We calculate this current using a Wigner functions approach, taking into account radiation-induced transitions between transverse subbands. The magnitude and the direction of the current depends on the Dresselhaus and Rashba constants, strength of magnetic field, radiation frequency, and intensity. The current can be controlled by changing some of these parameters.
Ultracold Neutral Plasma Expansion In Two Dimensions, E. A. Cummings, J. E. Daily, Dallin S. Durfee, Scott D. Bergeson
Ultracold Neutral Plasma Expansion In Two Dimensions, E. A. Cummings, J. E. Daily, Dallin S. Durfee, Scott D. Bergeson
Faculty Publications
An isothermal model of ultracold neutral plasma expansion is extended to systems without spherical symmetry. It is used to interpret new fluorescence measurements on ultracold neutral calcium plasmas. For a self-similar expansion, the fluid equations are solved both analytically and numerically. The density and velocity solutions are used to predict fluorescence signals induced by a laser beam weakly focused into the plasma. Despite the simplicity of the model, predicted fluorescence signals reproduce major features of the experimental data
Loss Aware Rate Allocations In H.263 Coded Video Transmissions, Xiao Su, Benjamin Wah
Loss Aware Rate Allocations In H.263 Coded Video Transmissions, Xiao Su, Benjamin Wah
Faculty Publications
For packet video, information loss and bandwidth limitation are two factors that affect video playback quality. Traditional rate allocation approaches have focused on optimizing video quality under bandwidth constraint alone. However, in the best-effort Internet, packets carrying video data are susceptible to losses, which need to be reconstructed at the receiver side. In this paper, we propose loss aware rate allocations in both group-of-block (GOB) level and macroblock level, given that certain packets are lost during transmissions and reconstructed using simple interpolation methods at the receiver side. Experimental results show that our proposed algorithms can produce videos of higher quality …
Search For Lepton-Flavor Violation At Hera, S. Chekanov, M. Derrick, S. Magill, S. Miglioranzi, B. Musgrave, J. Repond, R. Yoshida, Margarita C. K. Mattingly, N. Pavel, A. G. Yagües Molina, P. Antonioli, G. Bari, M. Basile, L. Bellagamba, D. Boscherini, A. Bruni, G. Bruni, G. Cara Romeo, L. Cifarelli, F. Cindolo, A. Contin, M. Corradi, S. De Pasquale, P. Giusti, G. Iacobucci, A. Margotti, A. Montanari, R. Nania, F. Palmonari, A. Pesci, A. Polini
Search For Lepton-Flavor Violation At Hera, S. Chekanov, M. Derrick, S. Magill, S. Miglioranzi, B. Musgrave, J. Repond, R. Yoshida, Margarita C. K. Mattingly, N. Pavel, A. G. Yagües Molina, P. Antonioli, G. Bari, M. Basile, L. Bellagamba, D. Boscherini, A. Bruni, G. Bruni, G. Cara Romeo, L. Cifarelli, F. Cindolo, A. Contin, M. Corradi, S. De Pasquale, P. Giusti, G. Iacobucci, A. Margotti, A. Montanari, R. Nania, F. Palmonari, A. Pesci, A. Polini
Faculty Publications
A search for lepton-flavor-violating interactions ep → μX and ep → τX has been performed with the ZEUS detector using the entire HERA I data sample, corresponding to an integrated luminosity of 130 pb-1. The data were taken at center-of-mass energies, √s, of 300 and 318 GeV. No evidence of lepton-flavor violation was found, and constraints were derived on leptoquarks (LQs) that could mediate such interactions. For LQ masses below √s, limits were set on λeq1 √β ℓq, where λeq1 is the coupling of the LQ to an electron and a first-generation quark q1, and βℓq is the branching ratio …
Fluorescence Measurements Of Expanding Strongly Coupled Neutral Plasmas, E. A. Cummings, J. E. Daily, Dallin S. Durfee, Scott D. Bergeson
Fluorescence Measurements Of Expanding Strongly Coupled Neutral Plasmas, E. A. Cummings, J. E. Daily, Dallin S. Durfee, Scott D. Bergeson
Faculty Publications
We report new detailed density profile measurements in expanding strongly coupled neutral calcium plasmas. Using laser-induced fluorescence techniques, we determine plasma densities in the range of 10^5 to 10^9 cm^-3 with a time resolution limit as small as 7 ns. Strong coupling in the plasma ions is inferred directly from the fluorescence signals. Evidence for strong coupling at late times is presented, confirming a recent theoretical result.
Inclusive Jet Cross Sections And Dijet Correlations In D*± Photoproduction At Hera, S. Chekanov, M. Derrick, S. Magill, S. Miglioranzi, B. Musgrave, J. Repond, R. Yoshida, Margarita C. K. Mattingly, N. Pavel, A. G. Yagües Molina, P. Antonioli, G. Bari, M. Basile, L. Bellagamba, D. Boscherini, A. Bruni, G. Bruni, G. Cara Romeo, L. Cifarelli, F. Cindolo, A. Contin, M. Corradi, S. De Pasquale, P. Giusti, G. Iacobucci, A. Margotti, A. Montanari, R. Nania, F. Palmonari, A. Pesci, A. Polini
Inclusive Jet Cross Sections And Dijet Correlations In D*± Photoproduction At Hera, S. Chekanov, M. Derrick, S. Magill, S. Miglioranzi, B. Musgrave, J. Repond, R. Yoshida, Margarita C. K. Mattingly, N. Pavel, A. G. Yagües Molina, P. Antonioli, G. Bari, M. Basile, L. Bellagamba, D. Boscherini, A. Bruni, G. Bruni, G. Cara Romeo, L. Cifarelli, F. Cindolo, A. Contin, M. Corradi, S. De Pasquale, P. Giusti, G. Iacobucci, A. Margotti, A. Montanari, R. Nania, F. Palmonari, A. Pesci, A. Polini
Faculty Publications
Inclusive jet cross sections in photoproduction for events containing a D* meson have been measured with the ZEUS detector at HERA using an integrated luminosity of 78.6 pb-1. The events were required to have a virtuality of the incoming photon, Q2, of less than 1 GeV2, and a photon-proton centre-of-mass energy in the range 130 < Wγp < 280 GeV. The measurements are compared with next-to-leading-order (NLO) QCD calculations. Good agreement is found with the NLO calculations over most of the measured kinematic region. Requiring a second jet in the event allowed a more detailed comparison with QCD calculations. The measured dijet cross sections are also compared to Monte Carlo (MC) models which incorporate leading-order matrix elements followed by parton showers and hadronisation. The NLO QCD predictions are in general agreement with the data although differences have been isolated to regions where contributions from higher orders are expected to be significant. The MC models give a better description than the NLO predictions of the shape of the measured cross sections. © 2005 Elsevier B.V. All rights reserved.
Photovoltaic Effect In Bent Quantum Wires In The Ballistic Transport Regime, Yuriy V. Pershin Dr, Carlo Piermarocchi
Photovoltaic Effect In Bent Quantum Wires In The Ballistic Transport Regime, Yuriy V. Pershin Dr, Carlo Piermarocchi
Faculty Publications
A scheme for the generation of a photocurrent in bent quantum wires is proposed. We calculate the current using a generalized Landauer-Büttiker approach that takes into account the electromagnetic radiation. For circularly polarized light, it is demonstrated that the curvature in the bent wire induces an asymmetry in the scattering coefficients for left and right moving electrons. This asymmetry results in a current at zero bias voltage. The effect is due to the geometry of the wire which transforms the photon angular momentum into translational motion for the electrons. Possible experimental realizations of this scheme are discussed.
Spontaneous Lorentz Violation And Nonpolynomial Interactions, Brett Altschul, V. Alan Kostelecký
Spontaneous Lorentz Violation And Nonpolynomial Interactions, Brett Altschul, V. Alan Kostelecký
Faculty Publications
Gauge-noninvariant vector field theories with superficially nonrenormalizable nonpolynomial interactions are studied. We show that nontrivial relevant and stable theories have spontaneous Lorentz violation, and we present a large class of asymptotically free theories. The Nambu-Goldstone modes of these theories can be identified with the photon, with potential experimental implications. © 2005 Elsevier B.V. All rights reserved.
Semiclassical Nonadiabatic Dynamics Using A Mixed Wave-Function Representation, Sophya Garashchuk, Vitaly A. Rassolov, George C. Schatz
Semiclassical Nonadiabatic Dynamics Using A Mixed Wave-Function Representation, Sophya Garashchuk, Vitaly A. Rassolov, George C. Schatz
Faculty Publications
Nonadiabatic effects in quantum dynamics are described using a mixed polar/coordinate space representation of the wave function. The polar part evolves on dynamically determined potential surfaces that have diabatic and adiabatic potentials as limiting cases of weak localized and strong extended diabatic couplings. The coordinate space part, generalized to a matrix form, describes transitions between the surfaces. Choice of the effective potentials for the polar part and partitioning of the wave function enables one to represent the total wave function in terms of smooth components that can be accurately propagated semiclassically using the approximate quantum potential and small basis sets. …
A Context-Sensitive Structural Heuristic For Guided Search Model Checking, Eric G. Mercer, Neha Rungta
A Context-Sensitive Structural Heuristic For Guided Search Model Checking, Eric G. Mercer, Neha Rungta
Faculty Publications
Software verification using model checking often translates programs into corresponding transition systems that model the program behavior. As software systems continue to grow in complexity and size, exhaustively checking a property on a transition graph becomes difficult. The goal of guided search heuristics in model checking is to find a counterexample to the property being verified as quickly as possible in the transition graph. The FSM distance heuristic builds an interprocedural control flow graph of the program to estimate distance to a possible error state. It ignores calling context and underestimates the true distance to the error.
Particular Solutions For Axisymmetric Helmholtz-Type Operators, A.S. Muleshkov, M.A. Golberg, C.S. Chen
Particular Solutions For Axisymmetric Helmholtz-Type Operators, A.S. Muleshkov, M.A. Golberg, C.S. Chen
Faculty Publications
In this paper, we consider the solution of the axisymmetric heat equation with axisymmetric data in an axisymmetric domain in R-3. To solve this problem, we remove the time-dependence by various transform or time-stepping methods. This converts the problem to one of a sequence of modified inhomogeneous Helmholtz equations. Generalizing previous work, we consider solving these equations by boundary-type methods. In order to do this, one needs to subtract off a particular solution, so that one obtains a sequence of modified homogeneous Helmholtz equations. We do this by modifying the usual Dual Reciprocity Method (DRM) and approximating the right-hand sides …
Terahertz Studies Of The Dielectric Response And Second-Order Phonons In A Gase Crystal, B. L. Yu, F. Zeng, V. Kartazayev, R. R. Alfano, K. C. Mandal
Terahertz Studies Of The Dielectric Response And Second-Order Phonons In A Gase Crystal, B. L. Yu, F. Zeng, V. Kartazayev, R. R. Alfano, K. C. Mandal
Faculty Publications
No abstract provided.
Using Genetic Algorithms To Map First-Principles Results To Model Hamiltonians: Application To The Generalized Ising Model For Alloys, Gus L. W. Hart, Volker Blum, Michael J. Walorski, Alex Zunger
Using Genetic Algorithms To Map First-Principles Results To Model Hamiltonians: Application To The Generalized Ising Model For Alloys, Gus L. W. Hart, Volker Blum, Michael J. Walorski, Alex Zunger
Faculty Publications
The cluster expansion method provides a standard framework to map first-principles generated energies for a few selected configurations of a binary alloy onto a finite set of pair and many-body interactions between the alloyed elements. These interactions describe the energetics of all possible configurations of the same alloy, which can hence be readily used to identify ground state structures and, through statistical mechanics solutions, find finite-temperature properties. In practice, the biggest challenge is to identify the types of interactions which are most important for a given alloy out of the many possibilities. We describe a genetic algorithm which automates this …
Direct Enumeration Of Alloy Configurations For Electronic Structural Properties, Gus L. W. Hart, Peter A. Graf, Kwiseon Kim, Wesley B. Jones
Direct Enumeration Of Alloy Configurations For Electronic Structural Properties, Gus L. W. Hart, Peter A. Graf, Kwiseon Kim, Wesley B. Jones
Faculty Publications
We present and apply an approach to directly enumerate the band gaps and effective masses of all possible zinc blende-based alloy configurations whose unit cell contains up to a specified number of atoms. This method allows us to map the space of band gaps and effective masses versus alloy composition and atomic configuration. We demonstrate that a large number of band gaps and effective masses are available. We also discuss convergence of the method with respect to unit cell size and the combined optimization of band gap and effective mass for AlGaAs and GaInP semiconductor alloys.