Physical Sciences and Mathematics Commons^™

Accuracy And Limitations Of Localized Green’S Function Methods For Materials Science Applications, Duane D. Johnson, Andrei V. Smirnov

Duane D. Johnson

We compare screened real-space and reciprocal-space implementations of Korringa-Kohn-Rostoker electronic-structure method for their applicability to largescale problems requiring various levels of accuracy. We show that real-space calculations in metals can become impractical to describe energies. We suggest a combined r- and k-space scheme as the most efficient and flexible strategy for accurate energy calculations. Our hybrid code is suitable for (parallel) large-scale calculations involving complex, multicomponent systems. We also discuss how details of numerical procedures can affect accuracy of such calculations.

Classical Density Functional Theory Of Freezing In Simple Fluids: Numerically Induced False Solutions, M. Valera, F. J. Pinski, Duane D. Johnson

Duane D. Johnson

Density functional theory (DFT) has provided many insights into the freezing of simple fluids. Several analytical and numerical solution have shown that the DFT provides an accurate description of freezing of hard spheres and their mixtures. Compared to other techniques, numerical, grid-based algorithms for solving the DFT equations have more variational freedom and are capable of describing subtle behavior, as that seen in mixtures with multipeaked density profiles. However the grid-based approach is sensitive to the coarseness of the mesh employed. Here we summarize how the granularity of the mesh affects the freezing point within the DFT. For coarse meshes, …

Climatology Of Mid- And Low-Latitude F Region Disturbance Winds Measured By Windii, J. T. Emmert, Bela G. Fejer, C. G. Fesen, G. G. Shepherd, B. H. Solheim

Bela G. Fejer

No abstract provided.

Relativistic Effects And Two-Body Currents In 2h(E⃗,E′P)N Using Out-Of-Plane Detection, Z L. Zhou, X Jiang, R Hicks, A Hotta, R Miskimen, Gerald Alvin Peterson, J Shaw

Gerald Alvin Peterson

Measurements of the 2H(e⃗,e′p)n reaction were performed with the out-of-plane magnetic spectrometers (OOPS) at the MIT-Bates Linear Accelerator. The longitudinal-transverse, fLT and fLT′, and the transverse-transverse, fTT, interference responses at a missing momentum of 210MeV/c were simultaneously extracted in the dip region at Q2 = 0.15 (GeV/c)2. In comparison to models of deuteron electrodisintegration, the data clearly reveal strong effects of relativity and final-state interactions and the importance of two-body meson-exchange currents and isobar configurations. We demonstrate that such effects can be disentangled by extracting these responses using the novel out-of-plane technique.

Electroproduction Of The Λ(1520) Hyperon, S P. Barrow, L Dennis, S B. Mcaleer, B Asavapibhop, R S. Hicks, D Lawrence, R Miskimen, Gerald Alvin Peterson, J Shaw

Gerald Alvin Peterson

The reaction ep⃗e′K+Λ(1520) with Λ(1520)→p′K- was studied at electron beam energies of 4.05, 4.25, and 4.46 GeV, using the CLAS detector at the Thomas Jefferson National Accelerator Facility. The cosθK+, φK+, Q2, and W dependencies of Λ(1520) electroproduction are presented for the kinematic region 0.9

Microscopic Kinetics And Time-Dependent Structure Factors, T. Aspelmeier, Beate Schmittmann, R. K. P. Zia

Beate Schmittmann

The time evolution of structure factors (SF) in the disordering process of an initially phase-separated lattice depends crucially on the microscopic disordering mechanism, such as Kawasaki dynamics (KD) or vacancy-mediated disordering (VMD). Monte Carlo simulations show unexpected “dips” in the SFs. A phenomenological model is introduced to explain the dips in the odd SFs, and an analytical solution of KD is derived, in excellent agreement with simulations. The presence (absence) of dips in the even SFs for VMD (KD) marks a significant but not yet understood difference of the two dynamics.

Russian Summary Of Phd Dissertation, Serge Y. Kalmykov

Serge Youri Kalmykov

Notarized English Translation Of The Author's Summary Of Phd Dissertation, Serge Y. Kalmykov

Serge Youri Kalmykov

Stimulated Raman Scattering Of Short Intense Laser Pulses In Plasmas, Serge Y. Kalmykov

Serge Youri Kalmykov

Measurement Of The Elastic Magnetic Form Factor Of 3he At High Momentum Transfer, I Nakagawa, J Shaw, S Churchwell, X Jiang, B Asavapibhop, M C. Berisso, P E. Bosted, K Burchesky, R S. Hicks, A Hotta, R A. Miskimen, Gerald Alvin Peterson, S E. Rock

Gerald Alvin Peterson

New electron scattering measurements have been made that extend data on the 3He elastic magnetic form factor up to Q2 = 42.6fm-2. These new data test theoretical conjectures regarding non-nucleonic effects in the three-body system. The very small cross sections, as low as 10-40cm2/sr, required the use of a high-pressure cryogenic gas target and a detector system with excellent background rejection capability. No existing theoretical calculation satisfactorily accounts for all the available data.

Excitation Of Ion-Acoustic-Like Waves By Subcritical Currents In A Plasma Having Equal Electron And Ion Temperatures, Erick Agrimson, Nicola D'Angelo, Robert L. Merlino

Erick Agrimson

No abstract provided.

Ultraviolet Lasing In Cholesteric Liquid Crystals, A. F., Peter Palffy-Muhoray, B. Taheri

Peter Palffy-Muhoray

We report the observation of stimulated emission and mirrorless lasing in pure cholesteric liquid crystals. The lasing action is attributed to the combination of the fluorescence and the distributed feedback that are due to the inherent periodic structure of the liquid crystal. If the reflection band matches the intrinsic emission of the cholesteric liquid crystal, the crystal becomes a natural laser material, which will self-lase, without any optical elements or the addition of dyes, under picosecond excitation at 355 nm. Samples have been made to lase at different wavelengths in the near UV by shifting of the edge of the …

On The Effect Of Electron Plasma Waves With Relativistic Phase Velocity On Large-Angle Stimulated Raman Scattering Of Modulated Short Laser Pulse In Plasmas, Nikolai E. Andreev, Serguei Y. Kalmykov

Serge Youri Kalmykov

Suppression of a large-angle stimulated Raman scattering (LA-SRS) of a short modulated (two-frequency) laser pulse in a transparent plasma in the presence of a linear long-wavelength electron plasma wave (LW EPW) having relativistic phase velocity is considered under the conditions of weak and strong coupling. The laser spectrum includes two components with a frequency shift equal to the frequency of the LW EPW. The mutual influence of different spectral components of a laser on the SRS under a given angle in the presence of the LW EPW is examined.

Exclusive Electroproduction Of Φ Mesons At 4.2 Gev, K Lukashin, E S. Smith, B Asavapibhop, R A. Hicks, D Lawrence, R Miskimen, Gerald Alvin Peterson, J Shaw

Gerald Alvin Peterson

We studied the exclusive reaction ep⃗e′p′φ using the φ⃗K+K- decay mode. The data were collected using a 4.2 GeV incident electron beam and the CEBAF Large Acceptance Spectrometer (CLAS) at the Thomas Jefferson National Accelerator Facility. Our experiment covers the range in Q2 from 0.7 to 2.2 GeV2, and W from 2.0 to 2.6 GeV. Taken together with all previous data, we find a consistent picture of φ production on the proton. Our measurement shows the expected decrease of the t slope with the vector-meson formation time cΔτ below 2 fm. At 〈cΔτ〉=0.6 fm, we measure bφ=2.27±0.42 GeV-2. The cross …

Quantization Of Maximally Charged Slowly Moving Black Holes, George Siopsis

George Siopsis

We discuss the quantization of a system of slowly moving extreme Reissner-Nordström black holes. In the near-horizon limit, this system has been shown to possess an SL(2,R) conformal symmetry. However, the Hamiltonian appears to have no well-defined ground state. This problem can be circumvented by a redefinition of the Hamiltonian due to de Alfaro, Fubini, and Furlan (DFF). We apply the Faddeev-Popov quantization procedure to show that the Hamiltonian with no ground state corresponds to a gauge in which there is an obstruction at the singularities of moduli space requiring a modification of the quantization rules. The …

Simulation Of Inviscid Multi-Species Plasma Flow, Alexandre Martin, Marcelo Reggio, Jean-Yves Trépanier

Alexandre Martin

A multi-species solver for plasma at thermodynamical equilibrium is developed. A numerical scheme, based on Roe's, is implemented with some modification regarding the average quantities. A perfect gas treatment is carried out for validations, and a quasi-real gas treatment is also presented. The latter takes into account the changes in the composition of the gas caused by fluctuations in temperature and density.

Knots And Random Walks In Vibrated Granular Chains, E. Ben-Naim, Z.A. Daya, P. Vorobieff, R.E. Ecke

Eli Ben-Naim

We study experimentally statistical properties of the opening times of knots in vertically vibrated granular chains. Our measurements are in good qualitative and quantitative agreement with a theoretical model involving three random walks interacting via hard core exclusion in one spatial dimension. In particular, the knot survival probability follows a universal scaling function which is independent of the chain length, with a corresponding diffusive characteristic time scale. Both the large-exit-time and the small-exit-time tails of the distribution are suppressed exponentially, and the corresponding decay coefficients are in excellent agreement with the theoretical values.

Radar Studies Of Mid-Latitude Ionospheric Plasma Drifts, L. Scherliess, Bela G. Fejer, J. Holt, L. Goncharenko, C. Armory-Mazaudier, M. J. Buonsanto

Bela G. Fejer

We use incoherent scatter radar measurements from Millstone Hill and Saint Santin to study the midlatitude F region electrodynamic plasma drifts during geomagnetically quiet and active periods. We present initially a local time, season, and solar flux dependent analytical model of the quiet time zonal and meridional E × B drifts over these stations. We discuss, for the first time, the Saint Santin drift patterns during solar maximum. We have used these quiet time models to extract the geomagnetic perturbation drifts which were modeled as a function of the time history of the auroral electrojet indices. Our results illustrate the …

Simple Relationships For The Estimation Of Melting Temperatures Of Homologous Series, James S. Chickos, Gary Nichols

James Chickos

No abstract provided.

N-Methyl-D-Aspartate Channel And Consciousness: From Signal Coincidence Detection To Quantum Computing, Armando F. Rocha, Alfredo Pereira Jr

Armando F Rocha

Research on Blindsight, Neglect/Extinction and Phantom limb syndromes, as well as electrical measurements of mammalian brain activity, have suggested the dependence of vivid perception on both incoming sensory information at primary sensory cortex and reentrant information from associative cortex. Coherence between incoming and reentrant signals seems to be a necessary condition for (conscious) perception. General reticular activating system and local electrical synchronization are some of the tools used by the brain to establish coarse coherence at the sensory cortex, upon which biochemical processes are coordinated. Besides electrical synchrony and chemical modulation at the synapse, a central mechanism supporting such a …

Spatially Correlated Dynamics In A Simulated Glass-Forming Polymer Melt: Analysis Of Clustering Phenomena, Y. Gebremichael, T. B. Schroder, Francis W. Starr, S. C. Glotzer

Francis Starr

No abstract provided.

Effects Of A Nanoscopic Filler On The Structure And Dynamics Of A Simulated Polymer Melt And The Relationship To Ultra-Thin Films, Francis W. Starr, T. B. Schroder, S. C. Glotzer

Francis Starr

No abstract provided.

Static And Dynamic Properties Of Stretched Water, P. A. Netz, Francis W. Starr, H. E. Stanley, M. C. Barbosa

Francis Starr

No abstract provided.

Dynamics Of Supercooled Water In Configuration Space, Emilia La Nave, Antonio Scala, Francis W. Starr, Francesco Sciortino, H. Eugene Stanley

Francis Starr

No abstract provided.

Thermodynamic And Structural Aspects Of The Potential Energy Surface Of Simulated Water, Francis W. Starr, S. Sastry, E. La Nave, A. Scala, H. E. Stanley, F. Sciortino

Francis Starr

No abstract provided.

Higher Twist Corrections And Maxima For Dis On A Proton In The High Density Qcd Region, E. Gotsman, Eugene Levin, U. Maor, L. Mclerran, Kirill Tuchin

Kirill Tuchin

We show that the ratio of different structure functions have a maximum which depends on energy. We argue, using the Golec-Biernat and Wusthoff model as well as the eikonal approach, that these maxima are functions of the saturation scale. We analyze leading and higher twist contributions for different observables to check whether a kinematic region exists where high parton density effects can be detected experimentally.

Unbiased Density Functional Solutions Of Freezing In Binary Mixtures Of Hard Or Soft Spheres, M. Valera, R. F. Bielby, F. J. Pinksi, Duane D. Johnson

Duane D. Johnson

various size ratios, σ2/σ1, using density functional theory. The Grand Potential is minimized using an unbiased, discrete, real-space mesh that does not constrain the shape of the density, and, in many cases, leads to solutions qualitatively different from those using Gaussians and plane-waves. Besides the usual face-centered-cubic solid-solution phase for σ2/σ1≈1.0, we find a sublattice-melt phase for σ2/σ1=0.85–0.5 (where the small-sphere density is nonlocalized and multi-peaked) and the NaCl phase for σ2/σ1=0.45–0.35 (when the small-sphere density again sharpens). For a range of size ratios of soft sphere mixtures, we could not find stable nonuniform solutions. Preliminary calculations within a Modified-Weighted …

The Pomeron Intercept In Lambda Phi**Theory In 4 Minkowski + 1 Compact Dimensions, Kirill Tuchin

Kirill Tuchin

We calculate the total cross section for two scalar particles scattering at high energies in λφ3 theory in five dimensions, four of which are usual Minkowski ones and the fifth is compact. It is shown that the cross section is dominated by exchange of Pomeron whose intercept is larger than in usual four-dimensional case.

Propagating Conformational Changes Over Long (And Short) Distances In Proteins, Edward Yu, Daniel E. Koshland Jr.

Edward Yu

The problem of the propagation of conformational changes over long distances or through a closely packed protein is shown to fit a model of a ligand-induced conformational change between two protein states selected by evolution. Moreover, the kinetics of the pathway between these states is also selected so that the energy of ligand binding and the speed of the transition between conformational states are physiologically appropriate. The crystallographic data of a wild-type aspartate receptor that has negative cooperativity and a mutant that has no cooperativity but has native transmembrane signaling are shown to support this model.

Seasonal And Magnetic Activity Variations Of Ionospheric Electric Fields Above The Southernmid-Latitude Station, Bundoora, Australia, M. L. Parkinson, R. Polglase, Bela G. Fejer, L. Scherliess, P. L. Dyson, S. M. Ujmaia

Bela G. Fejer

We investigate the seasonal, local solar time, and geomagnetic activity variations of the average Doppler velocity measured by an HF digital ionosonde deployed at Bundoora, Australia. The Doppler velocities were heavily averaged to suppress the short-term effects (<3>hours) of atmospheric gravity waves, and thereby obtain the diurnal variations attributed to the tidally-driven ionospheric dynamo and electric fields generated by magnetic disturbances. The observed seasonal variations in Doppler velocity were probably controlled by variations in the lower thermospheric winds and ionospheric conductivity above Bundoora and in the magnetically conjugate location. The diurnal variations of the meridional (fieldperpendicular) drifts and their …