Reassessment of liquefaction potential and estimation of earthquake- induced settlements at Paducah Gaseous Diffusion Plant, Paducah, Kentucky. Final report

This report documents a reassessment of liquefaction potential and estimation of earthquake-induced settlements for the U.S. Department of Energy (DOE), Paducah Gaseous Diffusion Plant (PGDP), located southwest of Paducah, KY. The U.S. Army Engineer Waterways Experiment Station (WES) was authorized to conduct this study from FY91 to FY94 by the DOE, Oak Ridge Operations (ORO), Oak Ridge, TN, through Inter- Agency Agreement (IAG) No. DE-AI05-91OR21971. The study was conducted under the Gaseous Diffusion Plant Safety Analysis Report (GDP SAR) Program

Linear response within the projection-based renormalization method: Many-body corrections beyond the random phase approximation

The explicit evaluation of linear response coefficients for interacting many-particle systems still poses a considerable challenge to theoreticians. In this work we use a novel many-particle renormalization technique, the so-called projector-based renormalization method, to show how such coefficients can systematically be evaluated. To demonstrate the prospects and power of our approach we consider the dynamical wave-vector dependent spin susceptibility of the two-dimensional Hubbard model and also determine the subsequent magnetic phase diagram close to half-filling. We show that the superior treatment of (Coulomb) correlation and fluctuation effects within the projector-based renormalization method significantly improves the standard random phase approximation results.Comment: 17 pages, 7 figures, revised versio

Peierls to superfluid crossover in the one-dimensional, quarter-filled Holstein model

We use continuous-time quantum Monte Carlo simulations to study retardation effects in the metallic, quarter-filled Holstein model in one dimension. Based on results which include the one- and two-particle spectral functions as well as the optical conductivity, we conclude that with increasing phonon frequency the ground state evolves from one with dominant diagonal order---2k_F charge correlations---to one with dominant off-diagonal fluctuations, namely s-wave pairing correlations. In the parameter range of this crossover, our numerical results support the existence of a spin gap for all phonon frequencies. The crossover can hence be interpreted in terms of preformed pairs corresponding to bipolarons, which are essentially localised in the Peierls phase, and "condense" with increasing phonon frequency to generate dominant pairing correlations.Comment: 11 pages, 5 figure

High-resolution Observations of the Shock Wave Behavior for Sunspot Oscillations with the Interface Region Imaging Spectrograph

We present the first results of sunspot oscillations from observations by the Interface Region Imaging Spectrograph. The strongly nonlinear oscillation is identified in both the slit-jaw images and the spectra of several emission lines formed in the transition region and chromosphere. We first apply a single Gaussian fit to the profiles of the Mgii 2796.35 {\AA}, Cii 1335.71 {\AA}, and Si iv 1393.76 {\AA} lines in the sunspot. The intensity change is about 30%. The Doppler shift oscillation reveals a sawtooth pattern with an amplitude of about 10 km/s in Si iv. In the umbra the Si iv oscillation lags those of Cii and Mgii by about 3 and 12 s, respectively. The line width suddenly increases as the Doppler shift changes from redshift to blueshift. However, we demonstrate that this increase is caused by the superposition of two emission components. We then perform detailed analysis of the line profiles at a few selected locations on the slit. The temporal evolution of the line core is dominated by the following behavior: a rapid excursion to the blue side, accompanied by an intensity increase, followed by a linear decrease of the velocity to the red side. The maximum intensity slightly lags the maximum blueshift in Si iv, whereas the intensity enhancement slightly precedes the maximum blueshift in Mgii. We find a positive correlation between the maximum velocity and deceleration, a result that is consistent with numerical simulations of upward propagating magnetoacoustic shock waves.Comment: 5 figures, in ApJ. Correction of time lags (correct values are 3 and 12s) made on June 17 201

Ultrafast supercontinuum spectroscopy of carrier multiplication and biexcitonic effects in excited states of PbS quantum dots

We examine the multiple exciton population dynamics in PbS quantum dots by ultrafast spectrally-resolved supercontinuum transient absorption (SC-TA). We simultaneously probe the first three excitonic transitions over a broad spectral range. Transient spectra show the presence of first order bleach of absorption for the 1S_h-1S_e transition and second order bleach along with photoinduced absorption band for 1P_h-1P_e transition. We also report evidence of the one-photon forbidden 1S_{h,e}-1P_{h,e} transition. We examine signatures of carrier multiplication (multiexcitons for the single absorbed photon) from analysis of the first and second order bleaches, in the limit of low absorbed photon numbers (~ 10^-2), at pump energies from two to four times the semiconductor band gap. The multiexciton generation efficiency is discussed both in terms of a broadband global fit and the ratio between early- to long-time transient absorption signals.. Analysis of population dynamics shows that the bleach peak due to the biexciton population is red-shifted respect the single exciton one, indicating a positive binding energy.Comment: 16 pages, 5 figure

CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures

CurlySMILES is a chemical line notation which extends SMILES with annotations for storage, retrieval and modeling of interlinked, coordinated, assembled and adsorbed molecules in supramolecular structures and nanodevices. Annotations are enclosed in curly braces and anchored to an atomic node or at the end of the molecular graph depending on the annotation type. CurlySMILES includes predefined annotations for stereogenicity, electron delocalization charges, extra-molecular interactions and connectivity, surface attachment, solutions, and crystal structures and allows extensions for domain-specific annotations. CurlySMILES provides a shorthand format to encode molecules with repetitive substructural parts or motifs such as monomer units in macromolecules and amino acids in peptide chains. CurlySMILES further accommodates special formats for non-molecular materials that are commonly denoted by composition of atoms or substructures rather than complete atom connectivity

Prevalence of Small-scale Jets from the Networks of the Solar Transition Region and Chromosphere

As the interface between the Sun's photosphere and corona, the chromosphere and transition region play a key role in the formation and acceleration of the solar wind. Observations from the Interface Region Imaging Spectrograph reveal the prevalence of intermittent small-scale jets with speeds of 80-250 km/s from the narrow bright network lanes of this interface region. These jets have lifetimes of 20-80 seconds and widths of 300 km or less. They originate from small-scale bright regions, often preceded by footpoint brightenings and accompanied by transverse waves with ~20 km/s amplitudes. Many jets reach temperatures of at least ~100000 K and constitute an important element of the transition region structures. They are likely an intermittent but persistent source of mass and energy for the solar wind.Comment: Figs 1-4 & S1-S5; Movies S1-S8; published in Science, including the main text and supplementary materials. Reference: H. Tian, E. E. DeLuca, S. R. Cranmer, et al., Science 346, 1255711 (2014