Enhancement of the thermal expansion of organic charge transfer salts by strong electronic correlations

Organic charge transfer salts exhibit thermal expansion anomalies similar to those found in other strongly correlated electron systems. The thermal expansion can be anisotropic and have a non-monotonic temperature dependence. We show how these anomalies can arise from electronic effects and be significantly enhanced, particularly at temperatures below 100 K, by strong electronic correlations. For the relevant Hubbard model the thermal expansion is related to the dependence of the entropy on the parameters ($t$, $t'$, and $U$) in the Hamiltonian or the temperature dependence of bond orders and double occupancy. The latter are calculated on finite lattices with the Finite Temperature Lanczos Method. Although many features seen in experimental data, in both the metallic and Mott insulating phase, are described qualitatively, the calculated magnitude of the thermal expansion is smaller than that observed experimentally.Comment: 9 pages, 6 figure

Derivation of the probability distribution function for the local density of states of a disordered quantum wire via the replica trick and supersymmetry

We consider the statistical properties of the local density of states of a one-dimensional Dirac equation in the presence of various types of disorder with Gaussian white-noise distribution. It is shown how either the replica trick or supersymmetry can be used to calculate exactly all the moments of the local density of states. Careful attention is paid to how the results change if the local density of states is averaged over atomic length scales. For both the replica trick and supersymmetry the problem is reduced to finding the ground state of a zero-dimensional Hamiltonian which is written solely in terms of a pair of coupled ``spins'' which are elements of u(1,1). This ground state is explicitly found for the particular case of the Dirac equation corresponding to an infinite metallic quantum wire with a single conduction channel. The calculated moments of the local density of states agree with those found previously by Al'tshuler and Prigodin [Sov. Phys. JETP 68 (1989) 198] using a technique based on recursion relations for Feynman diagrams.Comment: 39 pages, 1 figur

Spin Fluctuations and the Pseudogap in Organic Superconductors

We show that there are strong similarities in the spin lattice relaxation of non-magnetic organic charge transfer salts, and that these similarities can be understood in terms of spin fluctuations. Further, we show that, in all of the kappa-phase organic superconductors for which there is nuclear magnetic resonance data, the energy scale for the spin fluctuations coincides with the energy scale for the pseudogap. This suggests that the pseudogap is caused by short-range spin correlations. In the weakly frustrated metals k-(BEDT-TTF)_2Cu[N(CN)_2]Br, k-(BEDT-TTF)_2Cu(NCS)_2, and k-(BEDT-TTF)_2Cu[N(CN)_2]Cl (under pressure) the pseudogap opens at the same temperature as coherence emerges in the (intralayer) transport. We argue that this is because the spin correlations are cut off by the loss of intralayer coherence at high temperatures. We discuss what might happen to these two energy scales at high pressures, where the electronic correlations are weaker. In these weakly frustrated materials the data is well described by the chemical pressure hypothesis (that anion substitution is equivalent to hydrostatic pressure). However, we find important differences in the metallic state of k-(BEDT-TTF)_2Cu_2(CN)_3, which is highly frustrated and displays a spin liquid insulating phase. We also show that the characteristic temperature scale of the spin fluctuations in (TMTSF)_2ClO_4 is the same as superconducting critical temperature, which may be evidence that spin fluctuations mediate the superconductivity in the Bechgaard salts.Comment: 7 pages, 4 figures; to appear in PR

Prognostic Launch Vehicle Probability of Failure Assessment Methodology for Conceptual Systems Predicated on Human Causal Factors

Lessons learned from past failures of launch vehicle developments and operations were used to create a new method to predict the probability of failure of conceptual systems. Existing methods such as Probabilistic Risk Assessments and Human Risk Assessments were considered but found to be too cumbersome for this type of system-wide application for yet-to-be-flown vehicles. The basis for this methodology were historic databases of past failures, where it was determined that various faulty human-interactions were the predominant root causes of failure rather than deficient component reliabilities evaluated through statistical analysis. This methodology contains an expert scoring part which can be used in either a qualitative or a quantitative mode. The method produces two products: a numerical score of the probability of failure or guidance to program management on critical areas in need of increased focus to improve the probability of success. In order to evaluate the effectiveness of this new method, data from a concluded vehicle program (USAF's Titan IV with the Centaur G-Prime upper stage) was used as a test case. Although the theoretical vs. actual probability of failure was found to be in reasonable agreement (4.46% vs. 6.67% respectively) the underlying sub-root cause scoring had significant disparities attributable to significant organizational changes and acquisitions. Recommendations are made for future applications of this method to ongoing launch vehicle development programs

Models of the hard X-ray spectrum of AM Herculis and implications for the accretion rate

Phenomenological fits to the hard X-ray spectrum of AM Herculis left unexplained the high equivalent width (0.8 + or - 0.1 keV) of Fe K alpha emission. A purely thermal origin implies a much steeper spectrum than was observed. With Monte Carlo calculations, scattering and fluorescent line production in a cold or partially ionized accretion column of hard X-rays emitted at the base were investigated. The strength of the iron emission and the flat spectral continuum can be explained by the effects of fluorescence and absorption within the accretion column and the surface of the white dwarf on a thermal X-ray spectrum. Thomson optical depths across the column in the range 0.2 to 0.7 are acceptable. The accretion rate and gravitational power can be deduced from the optical depth across the column, if the column size is known, and, together with the observed hard X-ray and polarized light luminosities, imply a lower limit for the luminosity in the UV to soft X-ray range, for which the observations give model-dependent values. Estimates of the column size differ by a factor of 40. Small spot sizes and low luminosities would be consistent with the soft component being the expected reprocessed bremsstrahlung and cyclotron radiation, although the constraint of matching the spectrum confines one to solutions with fluxes exceeding 20% the Eddington limits

Clathrate formation and dissociation in vapor/water/ice/hydrate systems in SBA-15, sol-gel and CPG porous media, as probed by NMR relaxation, novel protocol NMR cryoporometry, neutron scattering and ab initio quantum-mechanical molecular dynamics simulation

The Gibbs-Thomson effect modifies the pressure and temperature at which clathrates occur, hence altering the depth at which they occur in the seabed. Nuclear magnetic resonance (NMR) measurements as a function of temperature are being conducted for water/ice/ hydrate systems in a range of pore geometries, including templated SBA-15 silicas, controlled pore glasses and sol-gel silicas. Rotator-phase plastic ice is shown to be present in confined geometry, and bulk tetrahydrofuran hydrate is also shown to probably have a rotator phase. A novel NMR cryoporometry protocol, which probes both melting and freezing events while avoiding the usual problem of supercooling for the freezing event, has been developed. This enables a detailed probing of the system for a given pore size and geometry and the exploration of differences between hydrate formation and dissociation processes inside pores. These process differences have an important effect on the environment, as they impact on the ability of a marine hydrate system to re-form once warmed above a critical temperature. Ab initio quantum-mechanical molecular dynamics calculations are also being employed to probe the dynamics of liquids in pores at nanometric dimensions