Origin of the large phonon band-gap in SrTiO3 and the vibrational signatures of ferroelectricity in ATiO3 perovskite: First principles lattice dynamics and inelastic neutron scattering of PbTiO3, BaTiO3 and SrTiO3

We report first principles density functional perturbation theory calculations and inelastic neutron scattering measurements of the phonon density of states, dispersion relations and electromechanical response of PbTiO3, BaTiO3 and SrTiO3. The phonon density-of-states of the quantum paraelectric SrTiO3 is found to be fundamentally distinct from that of ferroelectric PbTiO3 and BaTiO3 with a large 70-90 meV phonon band-gap. The phonon dispersion and electromechanical response of PbTiO3 reveal giant anisotropies. The interplay of covalent bonding and ferroelectricity, strongly modulates the electromechanical response and give rise to spectacular signatures in the phonon spectra. The computed charge densities have been used to study the bonding in these perovskites. Distinct bonding characteristics in the ferroelectric and paraelectric phases give rise to spectacular vibrational signatures. While a large phonon band-gap in ATiO3 perovskites seems a characteristic of quantum paraelectrics, anisotropy of the phonon spectra correlates well with ferroelectric strength. These correlations between the phonon spectra and ferroelectricity, can guide future efforts at custom designing still more effective piezoelectrics for applications. These results suggest that vibrational spectroscopy can help design novel materials.Comment: 11 pages, 4 color figures and 2 Table

Sociodemographic and clinical characteristics of patients with asthma who were prescribed ≥3 SABA canisters/year in the SABINA International study

Peer reviewedPostprin

Over-the-counter (OTC) short-acting β2-agonist (SABA) purchase and asthma outcomes in SABINA III

Peer reviewedPostprin

Ursinus College Alumni Journal, July 1957

Bachelor\u27s degrees awarded to 135 • Letters to the editor • Ursinus evaluated • Note from the Admissions Office • Commencement 1957 • Ursinus astronomers record celestial event • The faculty cornered • York County alumni meet • April election results • New York alumni honor H. Dean Steward \u2707 • H. Ober Hess \u2733 speaks at college • History Department advises saving of documents • \u27Id al-Jalus, Ta\u27izz, Yemen, 1953 • May Day festivities • Washington alumni meet • Seventeen annual prizes awarded at commencement • Ursinus Woman\u27s Club • Mrs. William U. Helfferich feted • 1957 track season • 1957 varsity baseball • 1957 varsity tennis • 1957 top athletes • Women\u27s basketball • Blazer award • Memorial trophy for Ken Walker • Tennis and badminton undefeated season • News about ourselves • Weddings • Births • Necrologyhttps://digitalcommons.ursinus.edu/alumnijournal/1059/thumbnail.jp

Galactic winds driven by cosmic-ray streaming

Galactic winds are observed in many spiral galaxies with sizes from dwarfs up to the Milky Way, and they sometimes carry a mass in excess of that of newly formed stars by up to a factor of ten. Multiple driving processes of such winds have been proposed, including thermal pressure due to supernova-heating, UV radiation pressure on dust grains, or cosmic ray (CR) pressure. We here study wind formation due to CR physics using a numerical model that accounts for CR acceleration by supernovae, CR thermalization, and advective CR transport. In addition, we introduce a novel implementation of CR streaming relative to the rest frame of the gas. We find that CR streaming drives powerful and sustained winds in galaxies with virial masses M_200 < 10^{11} Msun. In dwarf galaxies (M_200 ~ 10^9 Msun) the winds reach a mass loading factor of ~5, expel ~60 per cent of the initial baryonic mass contained inside the halo's virial radius and suppress the star formation rate by a factor of ~5. In dwarfs, the winds are spherically symmetric while in larger galaxies the outflows transition to bi-conical morphologies that are aligned with the disc's angular momentum axis. We show that damping of Alfven waves excited by streaming CRs provides a means of heating the outflows to temperatures that scale with the square of the escape speed. In larger haloes (M_200 > 10^{11} Msun), CR streaming is able to drive fountain flows that excite turbulence. For halo masses M_200 > 10^{10} Msun, we predict an observable level of H-alpha and X-ray emission from the heated halo gas. We conclude that CR-driven winds should be crucial in suppressing and regulating the first epoch of galaxy formation, expelling a large fraction of baryons, and - by extension - aid in shaping the faint end of the galaxy luminosity function. They should then also be responsible for much of the metal enrichment of the intergalactic medium.Comment: 25 pages, 14 figures, accepted by MNRA

Communication Research

Contains reports on eight research projects

Communication Research

Contains reports on eight research projects.Bell Telephone Laboratories, IncorporatedCarnegie FoundationRockefeller FoundationOffice of Naval Researc

Static and Dynamic Properties of a Viscous Silica Melt Molecular Dynamics Computer Simulations

We present the results of a large scale molecular dynamics computer simulation in which we investigated the static and dynamic properties of a silica melt in the temperature range in which the viscosity of the system changes from O(10^-2) Poise to O(10^2) Poise. We show that even at temperatures as high as 4000 K the structure of this system is very similar to the random tetrahedral network found in silica at lower temperatures. The temperature dependence of the concentration of the defects in this network shows an Arrhenius law. From the partial structure factors we calculate the neutron scattering function and find that it agrees very well with experimental neutron scattering data. At low temperatures the temperature dependence of the diffusion constants $D$ shows an Arrhenius law with activation energies which are in very good agreement with the experimental values. With increasing temperature we find that this dependence shows a cross-over to one which can be described well by a power-law, D\propto (T-T_c)^gamma. The critical temperature T_c is 3330 K and the exponent gamma is close to 2.1. Since we find a similar cross-over in the viscosity we have evidence that the relaxation dynamics of the system changes from a flow-like motion of the particles, as described by the ideal version of mode-coupling theory, to a hopping like motion. We show that such a change of the transport mechanism is also observed in the product of the diffusion constant and the life time of a Si-O bond, or the space and time dependence of the van Hove correlation functions.Comment: 30 pages of Latex, 14 figure