Modeling the impacts of changing climatic extremes on streamflow and sediment yield in a northeastern US watershed

Study region: We investigate the impacts of local temperature and precipitation trends on discharge and sediment loading by applying the model to a watershed in the northeastern US, where trends in increasing precipitation exceed those of other regions in North America. Study focus: In this study we simulate the response of watershed sediment loading to changing frequencies and magnitudes of extreme precipitation events using a coupled model that explicitly simulates streambank erosion and failure within a distributed watershed model. To drive the model, we use meteorological inputs from general circulation models (GCMs) as well as from a statistical weather generator (WG). New hydrological insights for the region: Changes in the timing and magnitude of snow melt and spring flows, as well as associated sediment mobilization, resulted from increases in temperature. Increases in discharge and sediment load resulted from increases in precipitation events exceeding the 95th percentile. In runs driven by WG weather data, positive trends were evident in peak (as well as annual) discharge and suspended sediment yields over the years modeled. No clear trends were seen in GCM-driven runs, which do not capture historically-observed trends in extreme precipitation. This work is consistent with other studies in that it shows important changes in discharge and sediment yields from a watershed resulting from ongoing changes in climate

Neutronics methods, models, and applications at the Idaho National Engineering Laboratory for the advanced neutron source reactor three-element core design

A summary of the methods and models used to perform neutronics analyses on the Advanced Neutron Source reactor three-element core design is presented. The applications of the neutral particle Monte Carlo code MCNP are detailed, as well as the expansion of the static role of MCNP to analysis of fuel cycle depletion calculations. Results to date of these applications are presented also. A summary of the calculations not yet performed is also given to provide a {open_quotes}to-do{close_quotes} list if the project is resurrected

Non-linear optical susceptibilities, Raman efficiencies and electrooptic tensors from first-principles density functional perturbation theory

The non-linear response of infinite periodic solids to homogenous electric fields and collective atomic displacements is discussed in the framework of density functional perturbation theory. The approach is based on the 2n + 1 theorem applied to an electric-field-dependent energy functional. We report the expressions for the calculation of the non-linear optical susceptibilities, Raman scattering efficiencies and electrooptic coefficients. Different formulations of third-order energy derivatives are examined and their convergence with respect to the k-point sampling is discussed. We apply our method to a few simple cases and compare our results to those obtained with distinct techniques. Finally, we discuss the effect of a scissors correction on the EO coefficients and non-linear optical susceptibilities

Reactor physics methods, models, and applications used to support the conceptual design of the Advanced Neutron Source

This report summarizes the neutronics analysis performed during 1991 and 1992 in support of characterization of the conceptual design of the Advanced Neutron Source (ANS). The methods used in the analysis, parametric studies, and key results supporting the design and safety evaluations of the conceptual design are presented. The analysis approach used during the conceptual design phase followed the same approach used in early ANS evaluations: (1) a strong reliance on Monte Carlo theory for beginning-of-cycle reactor performance calculations and (2) a reliance on few-group diffusion theory for reactor fuel cycle analysis and for evaluation of reactor performance at specific time steps over the fuel cycle. The Monte Carlo analysis was carried out using the MCNP continuous-energy code, and the few- group diffusion theory calculations were performed using the VENTURE and PDQ code systems. The MCNP code was used primarily for its capability to model the reflector components in realistic geometries as well as the inherent circumvention of cross-section processing requirements and use of energy-collapsed cross sections. The MCNP code was used for evaluations of reflector component reactivity effects and of heat loads in these components. The code was also used as a benchmark comparison against the diffusion-theory estimates of key reactor parameters such as region fluxes, control rod worths, reactivity coefficients, and material worths. The VENTURE and PDQ codes were used to provide independent evaluations of burnup effects, power distributions, and small perturbation worths. The performance and safety calculations performed over the subject time period are summarized, and key results are provided. The key results include flux and power distributions over the fuel cycle, silicon production rates, fuel burnup rates, component reactivities, control rod worths, component heat loads, shutdown reactivity margins, reactivity coefficients, and isotope production rates

Evaluation of [C(sp3)/[C(sp2)] ratio in diamondlike films through the use of a complex dielectric constant

The evaluation of the amount of tetrahedral and trigonal cross-linking, that is, the sp3- and sp2-hybridized carbon, is of great importance in understanding the properties of amorphous carbon films. In this paper we report a method for deducing the [sp3]/[sp2] ratio from the experimental values of the complex dielectric constant as obtained by optical transmittance and reflectance measurements. We assume a Gaussian-like distribution of π and π* electronic densities of states in order to fit the contribution of π→π* to the imaginary part, ε2, of the dielectric constant in the low-energy region. Through the Kramers-Kronig relationships we deduce the corresponding values of the real part ε1 of the dielectric constant for such transitions. By subtracting these values from the measured ε1 we deduce the contribution of σ→σ* to ε1. The Wemple-Didomenico model has been used to obtain the dispersion energy and the average excitation energy. Knowing the plasmon energies, we apply the ‘‘f-sum rule'' to deduce the [sp3]/[sp2] ratio. The method applied to a-C:H films deposited by rf diode sputtering provides results in agreement with those obtained by other techniques

Thermally Induced Nano-Structural and Optical Changes of nc-Si:H Deposited by Hot-Wire CVD

We report on the thermally induced changes of the nano-structural and optical properties of hydrogenated nanocrystalline silicon in the temperature range 200–700 °C. The as-deposited sample has a high crystalline volume fraction of 53% with an average crystallite size of ~3.9 nm, where 66% of the total hydrogen is bonded as ≡Si–H monohydrides on the nano-crystallite surface. A growth in the native crystallite size and crystalline volume fraction occurs at annealing temperatures ≥400 °C, where hydrogen is initially removed from the crystallite grain boundaries followed by its removal from the amorphous network. The nucleation of smaller nano-crystallites at higher temperatures accounts for the enhanced porous structure and the increase in the optical band gap and average gap

First-principles calculation of the band offset at BaO/BaTiO3_3 and SrO/SrTiO3_3 interfaces

We report first-principles density-functional pseudopotential calculations on the atomic structures, electronic properties, and band offsets of BaO/BaTiO$_3$ and SrO/SrTiO$_3$ nanosized heterojunctions grown on top of a silicon substrate. The density of states at the junction does not reveal any electronic induced interface states. A dominant perovskite character is found at the interface layer. The tunability of the band offset with the strain conditions imposed by the substrate is studied. Using previously reported theoretical data available for Si/SrO, Si/BaO and BaTiO$_{3}$/SrRuO$_{3}$ interfaces we extrapolate a value for the band alignments along the whole gate stacks of technological interest: Si/SrO/SrTiO$_3$ and Si/BaO/BaTiO$_3$/SrRuO$_3$ heterostructures.Comment: 12 pages, 6 figures, submitted to Phys. Rev.