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At least 1,387 records · Page 77

Change of variables as a method to study general β-models: Bulk universality

We consider β matrix models with real analytic potentials. Assuming that the corresponding equilibrium density ρ has a one-interval support (without loss of generality σ = [−2, 2]), we study the transformation of the correlation functions after the change of variables λ{sub i} → ζ(λ{sub i}) with ζ(λ) chosen from the equation ζ{sup ′}(λ)ρ(ζ(λ)) = ρ{sub sc}(λ), where ρ{sub sc}(λ) is the standard semicircle density. This gives us the “deformed” β-model which has an additional “interaction” term. Standard transformation with the Gaussian integral allows us to show that the “deformed” β-model may be reduced to the standard Gaussian β-model with a small perturbation n{sup −1}h(λ). This reduces most of the problems of local and global regimes for β-models to the corresponding problems for the Gaussian β-model with a small perturbation. In the present paper, we prove the bulk universality of local eigenvalue statistics for both one-cut and multi-cut cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The hot companion and circumbinary disk of the be star HR 2142

We present a spectroscopic investigation of the Be+sdO binary system HR 2142 that is based upon large sets of ultraviolet observations from the International Ultraviolet Explorer (IUE) and ground-based Hα observations. We measured radial velocities for the Be star component from these spectra and computed a revised orbit. In order to search for the spectral signature of the hot subdwarf, we cross-correlated the short wavelength end of each IUE spectrum with a model hot star spectrum, and then we used the predicted Doppler shifts of the subdwarf to shift-and-add all the cross-correlation functions to the frame of the subdwarf. This merged function shows the weak signal from the spectral lines of the hot star, and a best fit is obtained with a mass ratio M{sub 2}/M{sub 1}=0.07±0.02, companion temperature T{sub eff}⩾43±5 kK, projected rotational velocity Vsin i<30 km s{sup −1}, and a monochromatic flux ratio near 1170 Å of f{sub 2}/f{sub 1}>0.009±0.001. This hot subdwarf creates a one-armed spiral, tidal wake in the disk of the Be star, and we present a circumbinary disk model that can explain the occurrence of shell absorption lines by gas enhancements that occur where gas crossing the gap created by the subdwarf strikes the disk boundaries. The faint companion of HR 2142 may be representative of a significant fraction of Be stars with undetected former mass donor companion stars.

79 ASTRONOMY AND ASTROPHYSICS↗

LyMAS: Predicting large-scale Lyα forest statistics from the dark matter density field

We describe Lyα Mass Association Scheme (LyMAS), a method of predicting clustering statistics in the Lyα forest on large scales from moderate-resolution simulations of the dark matter (DM) distribution, with calibration from high-resolution hydrodynamic simulations of smaller volumes. We use the 'Horizon-MareNostrum' simulation, a 50 h {sup –1} Mpc comoving volume evolved with the adaptive mesh hydrodynamic code RAMSES, to compute the conditional probability distribution P(F{sub s} |δ {sub s}) of the transmitted flux F{sub s} , smoothed (one-dimensionally, 1D) over the spectral resolution scale, on the DM density contrast δ {sub s}, smoothed (three-dimensionally, 3D) over a similar scale. In this study we adopt the spectral resolution of the SDSS-III Baryon Oscillation Spectroscopic Survey (BOSS) at z = 2.5, and we find optimal results for a DM smoothing length σ = 0.3 h {sup –1} Mpc (comoving). In its simplest form, LyMAS draws randomly from the hydro-calibrated P(F{sub s} |δ {sub s}) to convert DM skewers into Lyα forest pseudo-spectra, which are then used to compute cross-sightline flux statistics. In extended form, LyMAS exactly reproduces both the 1D power spectrum and one-point flux distribution of the hydro simulation spectra. Applied to the MareNostrum DM field, LyMAS accurately predicts the two-point conditional flux distribution and flux correlation function of the full hydro simulation for transverse sightline separations as small as 1 h {sup –1} Mpc, including redshift-space distortion effects. It is substantially more accurate than a deterministic density-flux mapping ({sup F}luctuating Gunn-Peterson Approximation{sup )}, often used for large-volume simulations of the forest. With the MareNostrum calibration, we apply LyMAS to 1024{sup 3} N-body simulations of a 300 h {sup –1} Mpc and 1.0 h {sup –1} Gpc cube to produce large, publicly available catalogs of mock BOSS spectra that probe a large comoving volume. LyMAS will be a powerful tool for interpreting 3D Lyα forest data, thereby transforming measurements from BOSS and other massive quasar absorption surveys into constraints on dark energy, DM, space geometry, and intergalactic medium physics.

79 ASTRONOMY AND ASTROPHYSICS↗

Rigidity and soft percolation in the glass transition of an atomistic model of ionic liquid, 1-ethyl-3-methyl imidazolium nitrate, from molecular dynamics simulations—Existence of infinite overlapping networks in a fragile ionic liquid

The typical ionic liquid, 1-ethyl-3-methyl imidazolium nitrate (EMIM-NO{sub 3}), was examined by molecular dynamics simulations of an all-atomistic model to show the characteristics of networks of cages and/or bonds in the course of vitrification of this fragile glass-former. The system shows changes of dynamics at two characteristic temperatures, T{sub B} (or T{sub c}) and the glass transition temperature T{sub g}, found in other fragile glass forming liquids [K. L. Ngai and J. Habasaki, J. Chem. Phys. 141, 114502 (2014)]. On decreasing temperature, the number of neighboring cation-anion pairs, N{sub B}, within the first minimum of the pair correlation function, g(r){sub min}, increases. On crossing T{sub B} (>T{sub g}), the system volume and diffusion coefficient both show changes in temperature dependence, and as usual at T{sub g}. The glass transition temperature, T{sub g}, is characterized by the saturation of the total number of “bonds,” N{sub B} and the corresponding decrease in degree of freedom, F = [(3N − 6) − N{sub B}], of the system consisting of N particles. Similar behavior holds for the other ion-ion pairs. Therefore, as an alternative, the dynamics of glass transition can be interpreted conceptually by rigidity percolation. Before saturation occurring at T{sub g}, the number of bonds shows a remarkable change at around T{sub B}. This temperature is associated with the disappearance of the loosely packed coordination polyhedra of anions around cation (or vice versa), related to the loss of geometrical freedom of the polyhedra, f{sub g}, of each coordination polyhedron, which can be defined by f{sub g} = [(3N{sub V} − 6) − N{sub b}]. Here, 3N{sub v} is the degree of freedom of N{sub V} vertices of the polyhedron, and N{sub b} is number of fictive bonds. The packing of polyhedra is characterized by the soft percolation of cages, which allows further changes with decreasing temperature. The power spectrum of displacement of the central ion in the cage is found to be correlated with the fluctuation of N{sub b} of cation-cation (or anion-anion) pairs in the polyhedron, although the effect from the coordination shells beyond the neighboring ions is not negligible.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Kubo relations and radiative corrections for lepton number washout

The rates for lepton number washout in extensions of the Standard Model containing right-handed neutrinos are key ingredients in scenarios for baryogenesis through leptogenesis. We relate these rates to real-time correlation functions at finite temperature, without making use of any particle approximations. The relations are valid to quadratic order in neutrino Yukawa couplings and to all orders in Standard Model couplings. They take into account all spectator processes, and apply both in the symmetric and in the Higgs phase of the electroweak theory. We use the relations to compute washout rates at next-to-leading order in g, where g denotes a Standard Model gauge or Yukawa coupling, both in the non-relativistic and in the relativistic regime. Even in the non-relativistic regime the parametrically dominant radiative corrections are only suppressed by a single power of g. In the non-relativistic regime radiative corrections increase the washout rate by a few percent at high temperatures, but they are of order unity around the weak scale and in the relativistic regime.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Equations on knot polynomials and 3d/5d duality

We briefly review the current situation with various relations between knot/braid polynomials (Chern-Simons correlation functions), ordinary and extended, considered as functions of the representation and of the knot topology. These include linear skein relations, quadratic Plucker relations, as well as 'differential' and (quantum) A-polynomial structures. We pay a special attention to identity between the A-polynomial equations for knots and Baxter equations for quantum relativistic integrable systems, related through Seiberg-Witten theory to 5d super-Yang-Mills models and through the AGT relation to the q-Virasoro algebra. This identity is an important ingredient of emerging a 3d- 5d generalization of the AGT relation. The shape of the Baxter equation (including the values of coefficients) depend on the choice of the knot/braid. Thus, like the case of KP integrability, where (some, so far torus) knots parameterize particular points of the Universal Grassmannian, in this relation they parameterize particular points in the moduli space of many-body integrable systems of relativistic type.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Non-Gaussianities in the cosmological perturbation spectrum due to primordial anisotropy II

We continue to investigate possible signatures of a pre-inflationary anisotropic phase in two-point and three point correlation functions of the curvature perturbation for high-momentum modes which exit the horizon well after isotropization. The late time dynamics of these modes is characterized by a non-Bunch Davies vacuum state which encodes all the information about initial anisotropy in the background space-time. We observe that, unlike the non-planar momenta, there exist regimes of planar momenta for which scale invariance of the power spectrum is strongly broken. This regime of planar momenta gives rise to enhanced non-Gaussianity in certain squeezed triangle configurations, although the enhancement of the f{sub NL} parameter is limited by the breakdown of linear perturbation theory at ''exact planarity{sup .} Finally, we demonstrate that for the range of planar modes for which scale invariance of the power spectrum is preserved, non-Gaussianity in the curvature perturbation spectrum is naturally constrained to be extremely small.

79 ASTRONOMY AND ASTROPHYSICS↗

Detection of the Ultraviolet Spectrum of the Hot Subdwarf Companion of 60 Cygni (B1 Ve) from a Survey of IUE Spectra of Be Stars

We used archival International Ultraviolet Explorer (IUE) high-dispersion, short wavelength spectra data to search for evidence of the spectra of hot subdwarf companions of six rapidly rotating Be stars in binary systems. We searched for the signature of a hot companion through an analysis of the cross-correlation functions (CCFs) of observed and model spectra that were separated into primary and secondary components using a Doppler tomography algorithm and adopted spectroscopic orbital solutions. A positive detection of the flux from a hot companion was made for the reconstructed secondary CCF of just one target, 60 Cygni (B1 Ve). We estimate that the companion of the Be star in 60 Cygni has T{sub eff}=42±4 kK, mass ratio M{sub 2}/M{sub 1}=0.15±0.02, and monochromatic flux ratio f{sub 2}/f{sub 1}=0.034±0.002 in the spectral region near 1525 Å. If the companions of the other target Be stars are also hot, then they must be faint and contribute less than ≈1% of the UV flux (<0.6% in the case of γ Cas). We also discuss a shell episode of Pleione (28 Tau) recorded in the IUE spectran in an appendix.

79 ASTRONOMY AND ASTROPHYSICS↗

Emergent Newtonian dynamics and the geometric origin of mass

We consider a set of macroscopic (classical) degrees of freedom coupled to an arbitrary many-particle Hamiltonian system, quantum or classical. These degrees of freedom can represent positions of objects in space, their angles, shape distortions, magnetization, currents and so on. Expanding their dynamics near the adiabatic limit we find the emergent Newton’s second law (force is equal to the mass times acceleration) with an extra dissipative term. In systems with broken time reversal symmetry there is an additional Coriolis type force proportional to the Berry curvature. We give the microscopic definition of the mass tensor. The mass tensor is related to the non-equal time correlation functions in equilibrium and describes the dressing of the slow degree of freedom by virtual excitations in the system. In the classical (high-temperature) limit the mass tensor is given by the product of the inverse temperature and the Fubini–Study metric tensor determining the natural distance between the eigenstates of the Hamiltonian. For free particles this result reduces to the conventional definition of mass. This finding shows that any mass, at least in the classical limit, emerges from the distortions of the Hilbert space highlighting deep connections between any motion (not necessarily in space) and geometry. We illustrate our findings with four simple examples. -- Highlights: •Derive the macroscopic Newton’s equation from the microscopic many-particle Schrödinger’s equation. •Deep connection between geometry and dynamics. •Geometrical interpretation of the mass of macroscopic object as deformation of Hilbert space. •Microscopic expression for mass and friction tensors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Structure, thermodynamic properties, and phase diagrams of few colloids confined in a spherical pore

We study a system of few colloids confined in a small spherical cavity with event driven molecular dynamics simulations in the canonical ensemble. The colloidal particles interact through a short range square-well potential that takes into account the basic elements of attraction and excluded-volume repulsion of the interaction among colloids. We analyze the structural and thermodynamic properties of this few-body confined system in the framework of inhomogeneous fluids theory. Pair correlation function and density profile are used to determine the structure and the spatial characteristics of the system. Pressure on the walls, internal energy, and surface quantities such as surface tension and adsorption are also analyzed for a wide range of densities and temperatures. We have characterized systems from 2 to 6 confined particles, identifying distinctive qualitative behavior over the thermodynamic plane T − ρ, in a few-particle equivalent to phase diagrams of macroscopic systems. Applying the extended law of corresponding states, the square well interaction is mapped to the Asakura-Oosawa model for colloid-polymer mixtures. We link explicitly the temperature of the confined square-well fluid to the equivalent packing fraction of polymers in the Asakura-Oosawa model. Using this approach, we study the confined system of few colloids in a colloid-polymer mixture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Symmetrical windowing for quantum states in quasi-classical trajectory simulations: Application to electron transfer

It has recently been shown [S. J. Cotton and W. H. Miller, J. Chem. Phys. 139, 234112 (2013)] that a symmetrical windowing quasi-classical (SQC) approach [S. J. Cotton and W. H. Miller, J. Phys. Chem. A 117, 7190 (2013)] applied to the Meyer-Miller model [H.-D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979)] for the electronic degrees of freedom in electronically non-adiabatic dynamics is capable of quantitatively reproducing quantum mechanical results for a variety of test applications, including cases where “quantum” coherence effects are significant. Here we apply this same SQC methodology, within a flux-side correlation function framework, to calculate thermal rate constants corresponding to several proposed models of electron transfer processes [P. Huo, T. F. Miller III, and D. F. Coker, J. Chem. Phys. 139, 151103 (2013); A. R. Menzeleev, N. Ananth, and T. F. Miller III, J. Chem. Phys. 135, 074106 (2011)]. Good quantitative agreement with Marcus Theory is obtained over several orders of magnitude variation in non-adiabatic coupling. Moreover, the “inverted regime” in thermal rate constants (with increasing bias) known from Marcus Theory is also reproduced with good accuracy by this very simple classical approach. The SQC treatment is also applied to a recent model of photoinduced proton coupled electron transfer [C. Venkataraman, A. V. Soudackov, and S. Hammes-Schiffer, J. Chem. Phys. 131, 154502 (2009)] and population decay of the photoexcited donor state is found to be in reasonable agreement with results calculated via reduced density matrix theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamic heterogeneity in the folding/unfolding transitions of FiP35

Molecular dynamics simulations have become an important tool in studying protein dynamics over the last few decades. Atomistic simulations on the order of micro- to milliseconds are becoming feasible and are used to study the state-of-the-art experiments in atomistic detail. Yet, analyzing the high-dimensional-long-temporal trajectory data is still a challenging task and sometimes leads to contradictory results depending on the analyses. To reveal the dynamic aspect of the trajectory, here we propose a simple approach which uses a time correlation function matrix and apply to the folding/unfolding trajectory of FiP35 WW domain [Shaw et al., Science 330, 341 (2010)]. The approach successfully characterizes the slowest mode corresponding to the folding/unfolding transitions and determines the free energy barrier indicating that FiP35 is not an incipient downhill folder. The transition dynamics analysis further reveals that the folding/unfolding transition is highly heterogeneous, e.g., the transition path time varies by ∼100 fold. We identify two misfolded states and show that the dynamic heterogeneity in the folding/unfolding transitions originates from the trajectory being trapped in the misfolded and half-folded intermediate states rather than the diffusion driven by a thermal noise. The current results help reconcile the conflicting interpretations of the folding mechanism and highlight the complexity in the folding dynamics. This further motivates the need to understand the transition dynamics beyond a simple free energy picture using simulations and single-molecule experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A NEW METHOD TO CORRECT FOR FIBER COLLISIONS IN GALAXY TWO-POINT STATISTICS

In fiber-fed galaxy redshift surveys, the finite size of the fiber plugs prevents two fibers from being placed too close to one another, limiting the ability to study galaxy clustering on all scales. We present a new method for correcting such fiber collision effects in galaxy clustering statistics based on spectroscopic observations. The target galaxy sample is divided into two distinct populations according to the targeting algorithm of fiber placement, one free of fiber collisions and the other consisting of collided galaxies. The clustering statistics are a combination of the contributions from these two populations. Our method makes use of observations in tile overlap regions to measure the contributions from the collided population, and to therefore recover the full clustering statistics. The method is rooted in solid theoretical ground and is tested extensively on mock galaxy catalogs. We demonstrate that our method can well recover the projected and the full three-dimensional (3D) redshift-space two-point correlation functions (2PCFs) on scales both below and above the fiber collision scale, superior to the commonly used nearest neighbor and angular correction methods. We discuss potential systematic effects in our method. The statistical correction accuracy of our method is only limited by sample variance, which scales down with (the square root of) the volume probed. For a sample similar to the final SDSS-III BOSS galaxy sample, the statistical correction error is expected to be at the level of 1% on scales {approx}0.1-30 h {sup -1} Mpc for the 2PCFs. The systematic error only occurs on small scales, caused by imperfect correction of collision multiplets, and its magnitude is expected to be smaller than 5%. Our correction method, which can be generalized to other clustering statistics as well, enables more accurate measurements of full 3D galaxy clustering on all scales with galaxy redshift surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Hunt for Starspots in HARPS Spectra of G and K Stars

We present a method for detecting starspots on cool stars using the cross-correlation function (CCF) of high-resolution molecular spectral templates applied to archival high-resolution spectra of G and K stars observed with the High Accuracy Radial Velocity Planet Searcher (HARPS)/HARPS-N. We report nondetections of starspots on the Sun even when the Sun was spotted, the solar twin 18 Scorpii, and the very spotted Sun-like star HAT-P-11, suggesting that Sun-like starspot distributions will be invisible to the CCF technique, and should not produce molecular absorption signals that might be confused for signatures of exoplanet atmospheres. We detect strong TiO absorption in the T Tauri K-dwarfs LkCa 4 and AA Tau, consistent with significant coverage by cool regions. We show that despite the nondetections, the technique is sensitive to relatively small spot coverages on M dwarfs and large starspot areas on Sun-like stars.

79 ASTRONOMY AND ASTROPHYSICS↗

Diffusion Monte Carlo studies of MB-pol (H{sub 2}O){sub 2−6} and (D{sub 2}O){sub 2−6} clusters: Structures and binding energies

We employ the diffusion Monte Carlo (DMC) method in conjunction with the recently developed, ab initio-based MB-pol potential energy surface to characterize the ground states of small (H{sub 2}O){sub 2−6} clusters and their deuterated isotopomers. Observables, other than the ground state energies, are computed using the descendant weighting approach. Among those are various spatial correlation functions and relative isomer fractions. Interestingly, the ground states of all clusters considered in this study, except for the dimer, are delocalized over at least two conformations that differ by the orientation of one or more water monomers with the relative isomer populations being sensitive to the isotope substitution. Most remarkably, the ground state of the (H{sub 2}O){sub 6} hexamer is represented by four distinct cage structures, while that of (D{sub 2}O){sub 6} is dominated by the prism, i.e., the global minimum geometry, with a very small contribution from a prism-book geometry. In addition, for (H{sub 2}O){sub 6} and (D{sub 2}O){sub 6}, we performed DMC calculations to compute the ground states constrained to the cage and prism geometries. These calculations compared results for three different potentials, MB-pol, TTM3/F, and q-TIP4P/F.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model

Here, we study nonlocal correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter regime with robust Hund's coupling, which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U , as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital- and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that the self-energy for the itinerant electrons is momentum dependent, indicating a degree of nonlocal correlations while the localized electrons have largely momentum independent self-energies. These nonlocal correlations also produce relative shifts of the holelike and electronlike bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally ordered insulating phase.

36 MATERIALS SCIENCE↗

Resonance Raman spectra of organic molecules absorbed on inorganic semiconducting surfaces: Contribution from both localized intramolecular excitation and intermolecular charge transfer excitation

The time-dependent correlation function approach for the calculations of absorption and resonance Raman spectra (RRS) of organic molecules absorbed on semiconductor surfaces [Y. Zhao and W. Z. Liang, J. Chem. Phys. 135, 044108 (2011)] is extended to include the contribution of the intermolecular charge transfer (CT) excitation from the absorbers to the semiconducting nanoparticles. The results demonstrate that the bidirectionally interfacial CT significantly modifies the spectral line shapes. Although the intermolecular CT excitation makes the absorption spectra red shift slightly, it essentially changes the relative intensities of mode-specific RRS and causes the oscillation behavior of surface enhanced Raman spectra with respect to interfacial electronic couplings. Furthermore, the constructive and destructive interferences of RRS from the localized molecular excitation and CT excitation are observed with respect to the electronic coupling and the bottom position of conductor band. The interferences are determined by both excitation pathways and bidirectionally interfacial CT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multiplicity and transverse momentum dependence of charge-balance functions in pPb and PbPb collisions at LHC energies

Measurements of the charge-dependent two-particle angular correlation function in proton-lead (pPb) collisions at a nucleon-nucleon center-of-mass energy of $\sqrt{s_{NN}}$ = 8.16 TeV and lead-lead (PbPb) collisions at $\sqrt{s_{NN}}$ = 5.02 TeV are reported. The pPb and PbPb data sets correspond to integrated luminosities of 186 nb -1 and 0.607 nb -1 , respectively, and were collected using the CMS detector at the CERN LHC. The charge-dependent correlations are characterized by balance functions of same- and opposite-sign particle pairs. The balance functions, which contain information about the creation time of charged particle pairs and the development of collectivity, are studied as functions of relative pseudorapidity (Δη) and relative azimuthal angle (Δφ), for various multiplicity and transverse momentum (p T ) intervals. A multiplicity dependence of the balance function is observed in Δη and Δφ for both systems. The width of the balance functions decreases towards high-multiplicity collisions in the momentum region < 2 GeV, for pPb and PbPb results. Integrals of the balance functions are presented in both systems, and a mild dependence of the charge-balancing fractions on multiplicity is observed. No multiplicity dependence is observed at higher transverse momentum. The data are compared with HYDJET, HIJING, and AMPT generator predictions, none of which capture completely the multiplicity dependence seen in the data. The comparison of results with different center-of-mass energies suggests that the balance functions become narrower at higher energies, which is consistent with the idea of delayed hadronization and the effect of radial flow.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗