Vibrational entropy of L12 Cu3Au measured by inelastic neutron scattering

The phonon density of states of elemental Au, Cu, and Cu3Au with L12 chemical order were measured by inelastic neutron scattering and used to calculate the vibrational entropy of formation of the ordered compound from the elemental metals. A vibrational entropy of formation of (0.06±0.03) kB/atom at 300 K was obtained, with the vibrational entropy of the ordered alloy being larger than that of the elemental metals. The phonon DOS of the disordered Cu3Au was simulated by adding the phonon DOS curves of fcc Cu, L12 Cu3Au, and fcc Au to match the numbers of first-nearest-neighbor pairs in a disordered alloy. The vibrational entropy obtained with this simulated DOS disagrees with calorimetric data and theoretical estimates, indicating that the phonon DOS of disordered Cu3Au depends on chemical order at spatial lengths larger than is set by first-nearest-neighbor pairs

Phonon entropy of alloying and ordering of Cu-Au

Inelastic neutron scattering spectra were measured with a time-of-flight spectrometer on six disordered Cu-Au alloys at 300 K. The neutron-weighted phonon density of states was obtained from a conventional analysis of these spectra. Several methods were developed to account for this neutron weighting and obtain the phonon entropy of the disordered alloys. The phonon entropies of formation of disordered fcc Cu-Au alloys obtained in this way were generally mutually consistent, and were also consistent with predictions from a cluster approximation obtained from ab-initio calculations by Ozolin[underaccent cedilla [below] s-breve, Wolverton, and Zunger. We estimate a phonon entropy of disordering of 0.15±0.05kB/atom in Cu3Au at 300 K. A resonance mode associated with the motions of the heavy Au atoms in the Cu-rich alloys was observed at 9 meV. An analysis of the resonance mode provided a check on the partial phonon entropy of Au atoms

Temperature dependence of the phonon entropy of vanadium

The phonon density-of-states (DOS) of elemental vanadium was measured at elevated temperatures by inelastic neutron scattering. The phonon softening predicted by thermal expansion against the bulk modulus is much larger than the measured shifts in phonon energies. We conclude that the phonon anharmonicities associated with thermal expansion are largely canceled by effects from phonon-phonon scattering. Prior measurements of the heat capacity and calculations of the electronic entropy of vanadium are assessed, and consistency requires an explicit temperature dependence of the phonon DOS. Using data from the literature, similar results are found for chromium, niobium, titanium, and zirconium

Nanocrystalline iron at high pressure

X-ray diffraction measurements were performed on nanocrystalline iron up to 46 GPa. For nanocrystalline epsilon-Fe, analysis of lattice parameter data provides a bulk modulus, K, of 179±8 GPa and a pressure derivative of the bulk modulus, K[prime], of 3.6±0.7, similar to the large-grained control sample. The extrapolated zero-pressure unit cell volume of nanocrystalline epsilon-Fe is 22.9±0.2 Å^3, compared to 22.3±0.2 Å^3 for large-grained epsilon-Fe. No significant grain growth was observed to occur under pressure

Ekman layers and the damping of inertial r-modes in a spherical shell: application to neutron stars

Recently, eigenmodes of rotating fluids, namely inertial modes, have received much attention in relation to their destabilization when coupled to gravitational radiation within neutron stars. However, these modes have been known for a long time by fluid dynamicists. We give a short account of their history and review our present understanding of their properties. Considering the case of a spherical container, we then give the exact solution of the boundary (Ekman) layer flow associated with inertial r-modes and show that previous estimations all underestimated the dissipation by these layers. We also show that the presence of an inner core has little influence on this dissipation. As a conclusion, we compute the window of instability in the Temperature/rotation plane for a crusted neutron star when it is modeled by an incompressible fluid.Comment: 7 pages, 2 figures, revised version to appear in ApJ, March 1

A prior history of binge-drinking increases sensitivity to the motivational valence of methamphetamine in female C57BL/6J mice.

Methamphetamine (MA) and alcohol use disorders exhibit a high degree of co-morbidity and sequential alcohol-MA mixing increases risk for co-abuse. Recently, we reported greater MA-conditioned reward in male C57BL/6J mice with a prior history of binge alcohol-drinking (14 days of 2-hour access to 5, 10, 20 and 40% alcohol). As female mice tend to binge-drink more alcohol than males and females tend to be more sensitive than males to the psychomotor-activating properties of MA, we first characterized the effects of binge-drinking upon MA-induced place-conditioning (four pairings of 0.25, 0.5, 1, 2, or 4 mg/kg IP) in females and then incorporated our prior data to analyze for sex differences in MA-conditioned reward. Prior binge-drinking history did not significantly affect locomotor hyperactivity or its sensitization in female mice. However, the dose-response function for place-conditioning was shifted to the left of water-drinking controls, indicating an increase in sensitivity to MA-conditioned reward. The examination of sex differences revealed no sex differences in alcohol intake, although females exhibited greater MA-induced locomotor stimulation than males, irrespective of their prior drinking history. No statistically significant sex difference was apparent for the potentiation of MA-conditioned reward produced by prior binge-drinking history. If relevant to humans, these data argue that both males and females with a prior binge-drinking history are similarly vulnerable to MA abuse and it remains to be determined whether or not the neural substrates underpinning this increased vulnerability reflect common or sex-specific adaptations in reward-related brain regions

Phonon quarticity induced by changes in phonon-tracked hybridization during lattice expansion and its stabilization of rutile TiO2_2

Although the rutile structure of TiO$_2$ is stable at high temperatures, the conventional quasiharmonic approximation predicts that several acoustic phonons decrease anomalously to zero frequency with thermal expansion, incorrectly predicting a structural collapse at temperatures well below 1000\,K. Inelastic neutron scattering was used to measure the temperature dependence of the phonon density of states (DOS) of rutile TiO$_2$ from 300 to 1373\,K. Surprisingly, these anomalous acoustic phonons were found to increase in frequency with temperature. First-principles calculations showed that with lattice expansion, the potentials for the anomalous acoustic phonons transform from quadratic to quartic, stabilizing the rutile phase at high temperatures. In these modes, the vibrational displacements of adjacent Ti and O atoms cause variations in hybridization of $3d$ electrons of Ti and $2p$ electrons of O atoms. With thermal expansion, the energy variation in this "phonon-tracked hybridization" flattens the bottom of the interatomic potential well between Ti and O atoms, and induces a quarticity in the phonon potential.Comment: 7 pages, 6 figures, supplemental material (3 figures

Vibrational and electronic entropy of β-cerium and γ-cerium measured by inelastic neutron scattering

Time-of-flight (TOF) inelastic neutron-scattering spectra were measured on β-cerium (double hcp) and γ-cerium (fcc) near the phase-transition temperature. Phonon densities of states (DOS) and crystal-field levels were extracted from the TOF spectra. A softening of the phonon DOS occurs in the transition from β- to γ-cerium, accounting for an increase in vibrational entropy of ΔSvibγ-β=(0.09±0.05)kB/atom. The entropy calculated from the crystal-field levels and a fit to calorimetry data from the literature were significantly larger in β-cerium than in γ-cerium below room temperature, but the difference was found to be negligible at the experimental phase-transition temperature. A contribution to the specific heat from Kondo spin fluctuations was consistent with the quasielastic magnetic scattering, but the difference between phases was negligible. To be consistent with the latent heat of the β-γ transition, the increase in vibrational entropy at the phase transition may be accompanied by a decrease in electronic entropy not associated with the crystal-field splitting or spin fluctuations. At least three sources of entropy need to be considered for the β-γ transition in cerium

Vibrations of micro-eV energies in nanocrystalline microstructures

The phonon density of states of nanocrystalline bcc Fe and nanocrystalline fcc Ni3Fe were measured by inelastic neutron scattering in two different ranges of energy. As has been reported previously, the nanocrystalline materials showed enhancements in their phonon density of states at energies from 2 to 15 meV, compared to control samples composed of large crystals. The present measurements were extended to energies in the micro-eV range, and showed significant, but smaller, enhancements in the number of modes in the energy range from 5 to 18 mueV. These modes of micro-eV energies provide a long-wavelength limit that bounds the fraction of modes at milli-eV energies originating with the cooperative dynamics of the nanocrystalline microstructure