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At least 1,225 records · Page 68

Multiple-polarization-sensitive photodetector based on a perovskite metasurface

Most polarization-sensitive photodetectors detect either linearly polarized (LP) or circularly polarized (CP) light. Here, we experimentally demonstrate a multiple-polarization photodetector based on a hybrid organic–inorganic perovskite (HOIP) metasurface, which is sensitive to both LP and CP light simultaneously. The perovskite metasurface is composed of a HOIP antenna array on a single-crystal HOIP film. Owing to the antenna anisotropy, the absorption of linearly polarized light at the metasurface depends on the polarization angle; also, due to the mirror asymmetry of the antenna elements, the metasurface is also sensitive to different circular polarizations. Polarization-dependent photocurrent responses to both LP and CP light are detected. Our results highlight the potential of perovskite metasurfaces for integrated photoelectric applications.

47 OTHER INSTRUMENTATION↗

Serine 363 of a hydrophobic region of Archaeal ribulose 1,5-bisphosphate carboxylase/oxygenase from Archaeoglobus fulgidus and Thermococcus kodakaraensis affects CO 2 /O 2 substrate specificity and oxygen sensitivity

Archaeal ribulose 1, 5-bisphospate carboxylase/oxygenase (RubisCO) is differentiated from other RubisCO enzymes and is classified as a form III enzyme, as opposed to the form I and form II RubisCOs typical of chemoautotrophic bacteria and prokaryotic and eukaryotic phototrophs. The form III enzyme from archaea is particularly interesting as several of these proteins exhibit unusual and reversible sensitivity to molecular oxygen, including the enzyme from Archaeoglobus fulgidus . Previous studies with A. fulgidus RbcL2 had shown the importance of Met-295 in oxygen sensitivity and pointed towards the potential significance of another residue (Ser-363) found in a hydrophobic pocket that is conserved in all RubisCO proteins. In the current study, further structure/function studies have been performed focusing on Ser-363 of A. fulgidus RbcL2; various changes in this and other residues of the hydrophobic pocket point to and definitively establish the importance of Ser-363 with respect to interactions with oxygen. In addition, previous findings had indicated discrepant CO 2 /O 2 specificity determinations of the Thermococcus kodakaraensis RubisCO, a close homolog of A. fulgidus RbcL2. As a result, it is shown here that the T. kodakaraensis enzyme exhibits a similar substrate specificity as the A. fulgidus enzyme and is also oxygen sensitive, with equivalent residues involved in oxygen interactions.

59 BASIC BIOLOGICAL SCIENCES↗

Sensitivity of joint contagiousness and susceptibility-based dynamic optimal control strategies for HIV prevention

Predicting the population-level effects of an infectious disease intervention that incorporate multiple modes of intervention is complicated by the joint non-linear dynamics of both infection transmission and the intervention itself. In this paper, we consider the sensitivity of Dynamic Optimal Control Profiles (DOCPs) for the optimal joint investment in both a contagiousness and susceptibility-based control of HIV to bio-behavioral, economic, and programmatic assumptions. The DOCP is calculated using recently developed numerical algorithms that allow controls to be represented by a set of piecewise constant functions that maintain a constant yearly budget. Our transmission model assumes multiple stages of HIV infection corresponding to acute and chronic infection and both within- and between-individual behavioral heterogeneity. We parameterize a baseline scenario from a longitudinal study of sexual behavior in MSM and consider sensitivity of the DOCPs to deviations from that baseline scenario. In the baseline scenario, the primary determinant of the dominant control were programmatic factors, regardless of budget. In sensitivity analyses, the qualitative aspects of the optimal control policy were often robust to significant deviation in assumptions regarding transmission dynamics. In addition, we found several conditions in which long-term joint investment in both interventions was optimal. Our results suggest that modeling in the service of decision support for intervention design can improve population-level effects of a limited set of economic resources. We found that economic and programmatic factors were as important as the inherent transmission dynamics in determining population-level intervention effects. Given our finding that the DOCPs were robust to alternative biological and behavioral assumptions it may be possible to identify DOCPs even when the data are not sufficient to identify a transmission model.

59 BASIC BIOLOGICAL SCIENCES↗

Leaf-scale carbon assimilation simulated by the multi-assumption architecture & testbed for process sensitivity analysis

Raw and processed output from the Multi-Assumption Architecture & Testbed (MAAT, https://github.com/walkeranthonyp/MAAT, tag: v1.2.1_walker2020; Walker et al., 2018). The dataset contains leaf-scale carbon assimilation data from three MAAT simulations and their post-processing and plotting scripts. Simulation 1, labelled "FvC_4proc_proc," is a four-process, process sensitivity analysis (Dai et al., 2017) of carbon assimilation based on the Farquhar et al. (1980) photosynthesis model, and its variant proposed by Collatz et al. (1991). Simulation 2, labelled "FvC_4proc_salt," is a 14 parameter sensitivity analysis (Saltelli et al., 2010) of carbon assimilation based on the Farquhar and Collatz photosynthesis models. Simulation 3, labelled "FvC," is a factorial combination of the alternative process representations and parameter values presented in those original papers across a factorial combination of incident photosynthetically active radiation (50-2000 µmol m-2 s-1, in increments of 50) and atmospheric CO2 concentration (50-1500 µmol m-2 s-1, in increments of 50). Additional scripts/functions for post-processing and plotting are part of the MAAT repository. These data were generated to evaluate and compare the Farquhar and Collatz models of leaf-scale photosynthesis across a range of CO2 and incident light conditions. Analysis of results can be found in Walker et al. (2020). This dataset is comprised of R scripts to process data and produce figures; .RDS files, a binary format specific to R and read with the 'readRDS' function, to store raw MAAT output; R and bash scripts (.bs) that help to run a MAAT simulation, .XML files that are output from MAAT describing a run, and .csv files which contain the calculated sensitivity indexes published in Walker et al. (2020).

54 ENVIRONMENTAL SCIENCES↗

Impact Sensitivity and Ignition Mechanisms of Nanoaluminum-poly(perfluorinated methacrylate) Nanocomposites

Nanoenergetic composites are of overwhelming interest to the Department of Defense because of the higher power output and the ability to finely tune the ignition thresholds of these composites. Recently, several variants of a nanoaluminum-poly(perfluorinated methacrylate) (AlFA) have been synthesized and optimized for a variety of applications including reactive warhead liners and bullet spotters. While conventional techniques such as thermal analysis and bomb calorimetry can be used to characterize the reaction mechanism and energy output of AlFA composites, characterizing their dynamic behaviour is more challenging. Bullet spotter applications require a material to be impact sensitive at very low velocities, yet be adequately insensitive. Several live-fire tests were conducted which revealed the AlFA 50 material reacted consistently upon target impact at high velocities, but unreliably at very low velocities. In an effort to better understand the fundamental impact ignition mechanism and to determine the impact velocity threshold of AlFA 50 a series of Taylor gas gun experiments were conducted. It was determined that the light-initiation mechanism was consistent with a pinch mechanism, and that the ignition velocity threshold was near 74 m/s. Based on these results, it was hypothesized that the addition of a filler material could be used to sensitize the AlFA 50 , and that Asay shear impact testing could be used to determine a more optimal shape of such inclusions. Experiments performed using the Asay shear impact test setup confirmed the pinch ignition mechanism, but observations also revealed that the size of the pinch point was important. It was shown that the addition of large glass beads (> 1mm in diameter) was effective at sensitizing the AlFA 50 material at high and low velocities, with ignition observed at impact velocities as low as 35 m/s.

36 MATERIALS SCIENCE↗

IMPACT OF MEDIUM TEMPERATURE HEAT TREATMENT ON FLUX TRAPPING SENSITIVITY IN SRF CAVITIES

The effect of mid-T heat treatment on flux trapping sensitivity was measured on several 1.3 GHz single cell cavities subjected to medium temperature vacuum annealing at temperature of 150 - 400 ?C for a duration of 3 hours. The cavity was cooldown with residual magnetic field ?0 and ?20 mG in Dewar with cooldown condition of full flux trapped. The quality factor as a function of accelerating gradient was measured. The results show the correlation between the treatment temperature, quality factor, and sensitivity to flux trapping. Sensitivity increases with increasing heat treatment temperatures within the range of (200 - 325 ?C/3h).Moreover, variations in the effective penetration depth ofthe magnetic field and the density of quasi-particles can occur,influencing alterations in the cavity?s electromagneticresponse and resonance frequency.

Dhakal, P.↗

Thermal performance sensitivity studies in support of material modeling for extended storage of used nuclear fuel

The work reported here is an investigation of the sensitivity of component temperatures of a storage system, including fuel cladding temperatures, in response to age-related changes that could degrade the design-basis thermal behavior of the system. The purpose of these sensitivity studies is to provide a realistic example of how changes in the physical properties or configuration of the storage system components can affect temperatures and temperature distributions. The magnitudes of these sensitivities can provide guidance for identifying appropriate modeling assumptions for thermal evaluations extending long term storage out beyond 50, 100, 200, and 300 years.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Investigation of Wave Energy Converter Effects on Wave Fields: A Modeling Sensitivity Study in Monterey Bay CA.

A n indust ry standard wave modeling tool was utilized to investigate model sensitivity to input parameters and wave energy converter ( WEC ) array deploym ent scenarios. Wave propagation was investigated d ownstream of the WECs to evaluate overall near - and far - field effects of WEC arrays. The sensitivity study illustrate d that b oth wave height and near - bottom orbital velocity we re subject to the largest pote ntial variations, each decreas ed in sensitivity as transmission coefficient increase d , as number and spacing of WEC devices decrease d , and as the deployment location move d offshore. Wave direction wa s affected consistently for all parameters and wave perio d was not affected (or negligibly affected) by varying model parameters or WEC configuration .

Roberts, Jesse D.↗

Wave Energy Converter Effects on Wave Fields: Evaluation of SNL-SWAN and Sensitivity Studies in Monterey Bay CA.

A modified version of an indust ry standard wave modeling tool was evaluated, optimized, and utilized to investigate model sensitivity to input parameters a nd wave energy converter ( WEC ) array deployment scenarios. Wave propagation was investigated d ownstream of the WECs to evaluate overall near - and far - field effects of WEC arrays. The sensitivity study illustrate d that wave direction and WEC device type we r e most sensitive to the variation in the model parameters examined in this study . Generally, the changes in wave height we re the primary alteration caused by the presence of a WEC array. Specifically, W EC device type and subsequently their size directly re sult ed in wave height variations; however, it is important to utilize ongoing laboratory studies and future field tests to determine the most appropriate power matrix values for a particular WEC device and configuration in order to improve modeling results .

Roberts, Jesse D.↗

Neutrino Oscillation Parameter Sensitivity in Future Long-Baseline Experiments

The study of neutrino interactions and propagation has produced evidence for physics beyond the standard model and promises to continue to shed light on rare phenomena. Since the discovery of neutrino oscillations in the late 1990s there have been rapid advances in establishing the three flavor paradigm of neutrino oscillations. The 2012 discovery of a large value for the last unmeasured missing angle has opened the way for future experiments to search for charge-parity symmetry violation in the lepton sector. This thesis presents an analysis of the future sensitivity to neutrino oscillations in the three flavor paradigm for the T2K, NO A, LBNE, and T2HK experiments. The theory of the three flavor paradigm is explained and the methods to use these theoretical predictions to design long baseline neutrino experiments are described. The sensitivity to the oscillation parameters for each experiment is presented with a particular focus on the search for CP violation and the measurement of the neutrino mass hierarchy. The variations of these sensitivities with statistical considerations and experimental design optimizations taken into account are explored. The effects of systematic uncertainties in the neutrino flux, interaction, and detection predictions are also considered by incorporating more advanced simulations inputs from the LBNE experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Molecular and Material Approaches to Overcome Kinetic and Energetic Constraints in Dye-Sensitized Solar Cells

Dye-sensitized solar cells (DSSCs) have attracted a lot of interest as they proffer the possibility of extremely inexpensive and efficient solar energy conversion. The excellent performance of the most efficient DSSCs relies on two main features: 1) a high surface area nanoparticle semiconductor photoanode to allow for excellent light absorption with moderate extinction molecular dyes and 2) slow recombination rates from the photoanode to I 3 - allowing good charge collection. The I 3 - /I - couple, however, has some disadvantages, notably the redox potential limits the maximum open-circuit voltage, and the dye regeneration requires a large driving force which constrains the light harvesting ability. Thus, the design features that allow DSSCs to perform as well as they do also prevent further significant improvements in performance. As a consequence, the most efficient device configuration, and the maximum efficiency, has remained essentially unchanged over the last 16 years. Significant gains in performance are possible; however it will likely require a substantial paradigm shift. The general goal of this project is to understand the fundamental role of dye-sensitized solar cell, DSSC, components (sensitizer, redox shuttle, and photoanode) involved in key processes in order to overcome the kinetic and energetic constraints of current generation DSSCs. For example, the key to achieving high energy conversion efficiency DSSCs is the realization of a redox shuttle which fulfills the dual requirements of 1) efficient dye regeneration with a minimal driving force and 2) efficient charge collection. In current generation DSSCs, however, only one or the other of these requirements is met. We are currently primarily interested in understanding the physical underpinnings of the regeneration and recombination reactions. Our approach is to systematically vary the components involved in reactions and interrogate them with a series of photoelectrochemical (PEC) measurements. The lessons learned will ultimately be used to develop design rules for next generation DSSCs.

14 SOLAR ENERGY↗

Sensitivity-Uncertainty Techniques for Nuclear Criticality Safety

The sensitivity and uncertainty analysis course will introduce students to k eff sensitivity data, cross-section uncertainty data, how k eff sensitivity data and k eff uncertainty data are generated and how they can be used. Discussion will include how sensitivity/uncertainty data can be used to select applicable critical experiments, to quantify a defensible margin to cover validation gaps and weaknesses, and in development of upper subcritical limits.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Technical basis for inner container leak detection sensitivity goals in 3013 DE surveillance

Helium leak checking of 3013 inner container lids is under consideration for addition to DE Surveillance tasks as an improved means to detect any through-wall flaws that may have formed during storage. This white paper evaluates whether leak checking at DE could replace and improve upon the current method of comparing gas compositions and pressures within the inner and outer containers. We have used viscous and molecular flow equations in ANSI N14.5 to calculate what the measured standard helium leak rate would be for hypothetical leaks of three different sizes. For comparison, we have also calculated the effects on gas composition and pressure differences as a function of pre-DE storage time for the same three leak sizes, using molecular and viscous flow equations as well as diffusion equations to predict the relevant gas transport. For a hypothetical leak that would be measured at 1x10 -7 std cc/sec, likely an achievable sensitivity using helium leak checking at DE, the calculations predict no measurable effect on pressure difference or gas composition as measured by DE gas analysis. We also calculate that it would take over 200 years for water vapor to diffuse through a 10 -7 std cc/sec leak enough to raise the RH outer container to half the RH value in the inner container. A leak 100 times larger, which would be measured at 1x10 -5 std cc/sec, the same water vapor diffusion would take at least 14 years. Our conclusion is that helium leak checking will be useful even at a sensitivity of 1x10 -5 std cc/sec, and a significant improvement over current DE methods at a sensitivity of 1x10 -7 std cc/sec.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Roughness Sensitivity Comparisons of Wind Turbine Blade Sections

One explanation for wind turbine power degradation is insect roughness. Historical studies on insect-induced power degradation have used simulation methods which are either un- representative of actual insect roughness or too costly or time-consuming to be applied to wide-scale testing. Furthermore, the role of airfoil geometry in determining the relations between insect impingement locations and roughness sensitivity has not been studied. To link the effects of airfoil geometry, insect impingement locations, and roughness sensitivity, a simulation code was written to determine representative insect collection patterns for different airfoil shapes. Insect collection pattern data was then used to simulate roughness on an NREL S814 airfoil that was tested in a wind tunnel at Reynolds numbers between 1.6 x 10 6 and 4.0 x 10 6 . Results are compared to previous tests of a NACA 63 3 -418 airfoil. Increasing roughness height and density results in decreased maximum lift, lift curve slope, and lift-to-drag ratio. Increasing roughness height, density, or Reynolds number results in earlier bypass transition, with critical roughness Reynolds numbers lying within the historical range. Increased roughness sensitivity on the 25% thick NREL S814 is observed compared to the 18% thick NACA 63 3 -418. Blade-element-momentum analysis was used to calculate annual energy production losses of 4.9% and 6.8% for a NACA 63 3 -418 turbine and an NREL S814 turbine, respectively, operating with 200 μm roughness. These compare well to historical field measurements.

17 WIND ENERGY↗

Reproduction of the Yucca Mountain Project TSPA-LA Uncertainty and Sensitivity Analyses and Preliminary Upgrade of Models

Sandia National Laboratories (SNL) continued evaluation of total system performance assessment (TSPA) computing systems for the previously considered Yucca Mountain Project (YMP). This was done to maintain the operational readiness of the computing infrastructure (computer hardware and software) and knowledge capability for total system performance assessment (TSPA) type analysis, as directed by the National Nuclear Security Administration (NNSA), DOE 2010. This work is a continuation of the ongoing readiness evaluation reported in Lee and Hadgu (2014) and Hadgu et al. (2015). The TSPA computing hardware (CL2014) and storage system described in Hadgu et al. (2015) were used for the current analysis. One floating license of GoldSim with Versions 9.60.300, 10.5 and 11.1.6 was installed on the cluster head node, and its distributed processing capability was mapped on the cluster processors. Other supporting software were tested and installed to support the TSPA-type analysis on the server cluster. The current tasks included verification of the TSPA-LA uncertainty and sensitivity analyses, and preliminary upgrade of the TSPA-LA from Version 9.60.300 to the latest version 11.1. All the TSPA-LA uncertainty and sensitivity analyses modeling cases were successfully tested and verified for the model reproducibility on the upgraded 2014 server cluster (CL2014). The uncertainty and sensitivity analyses used TSPA-LA modeling cases output generated in FY15 based on GoldSim Version 9.60.300 documented in Hadgu et al. (2015). The model upgrade task successfully converted the Nominal Modeling case to GoldSim Version 11.1. Upgrade of the remaining of the modeling cases and distributed processing tasks will continue. The 2014 server cluster and supporting software systems are fully operational to support TSPA-LA type analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

(U) Analytic One-Group S 2 Slab Problem with Isotropic Scattering and Fission Applied to Neutron Multiplicity Sensitivity

A one-group isotropic S 2 transport problem in a homogeneous slab is solved analytically and used to derive an analytic expression for the Feynman Y for this special case. Analytic derivatives of the Feynman Y are then taken with respect to an arbitrary input parameter. The analytic solution is used to verify the results of the new Feynman Y sensitivity capability that Alex Clark (NC State/XCP-3) has integrated into the neutron sensitivity code SENSMG. SENSMG’s Feynman Y capability relies on the multigroup discrete-ordinates code PARTISN and the methodology developed by Mattingly to compute the Feynman Y deterministically, and the Feynman Y sensitivity capability relies on work by O’Brien et al., extended by Clark.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

(U) SENSMG: First-Order Sensitivities of Neutron Reaction Rates, Reaction-Rate Ratios, Leakage, k eff , α, and Subcritical Multiplication Using PARTISN

SENSMG is a tool for computing first-order sensitivities of neutron reaction rates, reaction-rate ratios, leakage, keff, α, and subcritical multiplication using the PARTISN multigroup discrete-ordinates code.1 SENSMG computes sensitivities to all of the transport cross sections and data (total, fission,a nu, chi, and all scattering moments), four edit cross sections (absorption, capture, elastic scattering, and inelastic scattering), and the density for every isotope and energy group. It also computes sensitivities to the mass density for every material and derivatives with respect to all interface locations and outer boundaries. The tool can be used for one-dimensional spherical and slab (r) and two-dimensional cylindrical (r-z) geometries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sensitivity Analysis in Xyce

Parametric sensitivities of dynamic system responses are very useful in a variety of applications, including circuit optimization and uncertainty quantification. Sensitivity calculation methods fall into two related categories: direct and adjoint methods. Effective implementation of such methods in a production circuit simulator poses a number of technical challenges, including instrumentation of device models. This report documents several years of work developing and implementing direct and adjoint sensitivity methods in the Xyce circuit simulator. Much of this work sponsored by the Laboratory Directed Research and Development (LDRD) Program at Sandia National Laboratories, under project LDRD 14-0788.

42 ENGINEERING↗