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LANL Critical Benchmark Comparison Study and Subsequent Revision

As part of an international collaboration within the DOE Nuclear Criticality Safety Program (NCSP), LANL is involved in a comparison study to quantify differences in k-effective results from neutron transport simulations of critical benchmark experiments. The DOE NCSP Mission and Vision details the activity in which the French Institut De Radioprotection et De Sûreté Nucléaire (IRSN) leads the study with LANL and in conjunction with ORNL and LLNL to compare results of various neutron transport codes and nuclear data libraries to compute k-effective for ICSBEP benchmarks held in common by the entities. This report documents results obtained through partial completion of the overall effort with a focus on the changes made to LANL benchmarks modeled with MCNP6 using ENDF/B-VII.1 nuclear data that appeared to have discrepant results when compared with results of other codes. The feedback received through participation in the comparison collaboration has prompted an effort to review particular input files for benchmarks and revise when necessary. This report documents the results of review and revision of specific benchmarks highlighted as possibly discrepant in the comparison study. In addition, this effort prompted a new collaboration between LANL XCP and NCS Divisions in the development of a shared review/revision procedure and use of a new benchmark repository.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Microstructure and water absorption of ancient concrete from Pompeii: An integrated synchrotron microtomography and neutron radiography characterization

There is renewed interest in using advanced techniques to characterize ancient Roman concrete due to its exceptional durability and low-carbon footprint. In the present work, samples were drilled from the “Hospitium” in Pompeii and were analyzed by synchrotron microtomography (μCT) and neutron radiography to study how the microstructure, including the presence of induced cracks, affects their water adsorption. The water distribution and absorptivity were quantified by neutron radiography. The 3D crack propagation, pore size distribution and orientation, tortuosity, and connectivity were analyzed from μCT results using advanced imaging methods. Porosity was also measured by mercury intrusion porosimetry (MIP) as a reference. Ductile fracture patterns were observed once cracks were introduced. Compared to Portland cement mortar/concrete, the Pompeii samples had relatively high porosity, low connectivity, and a similar coefficient of capillary penetration. In addition, permeability was predicted from models based on percolation theory and pore structure data to evaluate the fluid transport properties. Understanding the microstructure of ancient Pompeii concrete is important because it could inspire the development of modern concrete with high durability.

36 MATERIALS SCIENCE↗

A Combined Observational and Modeling Approach to Study Modern Dust Transport from the Patagonia Desert to East Antarctica

The understanding of present atmospheric transport processes from Southern Hemisphere (SH) landmasses to Antarctica can improve the interpretation of stratigraphic data in Antarctic ice cores. In addition, long range transport can deliver key nutrients normally not available to marine ecosystems in the Southern Ocean and may trigger or enhance primary productivity. However, there is a dearth of observational based studies of dust transport in the SH. This work aims to improve current understanding of dust transport in the SH by showing a characterization of two dust events originating in the Patagonia desert (south end of South America). The approach is based on a combined and complementary use of satellite retrievals (detectors MISR, MODIS, GLAS ,POLDER, OMI,), transport model simulation (HYSPLIT) and surface observations near the sources and aerosol measurements in Antarctica (Neumayer and Concordia sites). Satellite imagery and visibility observations confirm dust emission in a stretch of dry lakes along the coast of the Tierra del Fuego (TdF) island (approx.54deg S) and from the shores of the Colihue Huapi lake in Central Patagonia (approx.46deg S) in February 2005. Model simulations initialized by these observations reproduce the timing of an observed increase in dust concentration at the Concordia Station and some of the observed increases in atmospheric aerosol absorption (here used as a dust proxy) in the Neumayer station. The TdF sources were the largest contributors of dust at both sites. The transit times from TdF to the Neumayer and Concordia sites are 6-7 and 9-10 days respectively. Lidar observations and model outputs coincide in placing most of the dust cloud in the boundary layer and suggest significant de- position over the ocean immediately downwind. Boundary layer dust was detected as far as 1800 km from the source and approx.800 km north of the South Georgia Island over the central sub-Antarctic Atlantic Ocean. Although the analysis suggests the presence of dust at approx.1500 km SW of South Africa five days after, the limited capabilities of existing satellite platforms to differentiate between aerosol types do not permit a definitive conclusion. In addition, the model simulations show dust lifting to the free troposphere as it travels south but it could not be confirmed by the satellite observations due to cloudiness. This work demonstrates that complementary information from existing transport models, satellite and surface data can yield a consistent picture of the dust transport from the Patagonia desert to Antarctica. It also illustrates the limitation of using any of these approaches individually to characterize the transport of dust in a heavily cloudy area.

Gasso, S.↗

Space Shuttle Crawler Transporter Vibration Analysis in Support of Rollout Fatigue Load Spectra Verification Program

The Crawler Transporter (CT), designed and built for the Apollo Program in the 1960's and surpassing its initial operational life, has become an integral part of the Space Shuttle Program (SSP). The CT transports the Space Shuttle Vehicle (SSV) stack, atop the Mobile Launch Platform (MLP), from the Vehicle Assembly Building (VAB) to the launch pad. This support structure provides hydraulic jacking, leveling and load equalization for the 12 million pound stack on its 3.5-5.0 mile rollout to the launch pad. Major elements of the SSV, consisting of the orbiter, solid rocket boosters (SRB) and external tank (ET) have required fatigue analyses as part of the mission life certification. Compared to rollout vibration, the SSV sees relatively high vibration loads during launch, ascent, descent and landing phases of the mission. Although preliminary measured SRB vibration levels during rollout were of low amplitude and frequency, the duration of the rollout phase is typically high, from 5-6 hours. As part of an expanded mission life assessment, additional certification effort was initiated to define fatigue load spectra for rollout. This study addresses the CT vibration analyses in support of the rollout fatigue study. Structural models developed for modal and vibration analyses were used to identify unique CT, CT/MLP and CT/MLP/SRB vibration characteristics for comparison to instrumented rollout tests. Whereas the main structural and vibration characteristics of the SSV are well defined, minimum analytical and vibration test data on the Crawler Transporter were available. Unique vibration characteristics of the CT are attributable to the drive mechanism, hydraulic jacking system, structural framing and the CT-to-MLP support pad restraints. Initial tests performed on the CT/MLP/SRB configuration showed reasonable correlation with predicted mode shapes and frequencies.

Margasahayam, Ravi N.↗

High-data-rate, spacecraft tape recorders.

Description of magnetic head designs, tape transport features, encoding techniques, bit error rates, and data rate capabilities of tape recorders used on board satellites for temporary storage of sensor data. Helical- and transverse-scan rotary head mechanisms used for wideband video signals from imaging systems are explained along with associated electronic circuitry. Decoding and decision procedures employed in multiple-track recorders are outlined, and deskewing electronics are discussed.

Thompson, C. R.↗

Identifying Aerosol Type/Mixture from Aerosol Absorption Properties Using AERONET

Aerosols are generated in the atmosphere through anthropogenic and natural mechanisms. These sources have signatures in the aerosol optical and microphysical properties that can be used to identify the aerosol type/mixture. Spectral aerosol absorption information (absorption Angstrom exponent; AAE) used in conjunction with the particle size parameterization (extinction Angstrom exponent; EAE) can only identify the dominant absorbing aerosol type in the sample volume (e.g., black carbon vs. iron oxides in dust). This AAE/EAE relationship can be expanded to also identify non-absorbing aerosol types/mixtures by applying an absorption weighting. This new relationship provides improved aerosol type distinction when the magnitude of absorption is not equal (e.g, black carbon vs. sulfates). The Aerosol Robotic Network (AERONET) data provide spectral aerosol optical depth and single scattering albedo - key parameters used to determine EAE and AAE. The proposed aerosol type/mixture relationship is demonstrated using the long-term data archive acquired at AERONET sites within various source regions. The preliminary analysis has found that dust, sulfate, organic carbon, and black carbon aerosol types/mixtures can be determined from this AAE/EAE relationship when applying the absorption weighting for each available wavelength (Le., 440, 675, 870nm). Large, non-spherical dust particles absorb in the shorter wavelengths and the application of 440nm wavelength absorption weighting produced the best particle type definition. Sulfate particles scatter light efficiently and organic carbon particles are small near the source and aggregate over time to form larger less absorbing particles. Both sulfates and organic carbon showed generally better definition using the 870nm wavelength absorption weighting. Black carbon generation results from varying combustion rates from a number of sources including industrial processes and biomass burning. Cases with primarily black carbon showed improved definition in the 870nm wavelength absorption weighting due to the increased absorption in the near-infrared wavelengths, while the 440nm wavelength provided better definition when black carbon mixed with dust. Utilization of this particle type scheme provides necessary information for remote sensing applications, which needs a priori knowledge of aerosol type to model the retrieved properties especially over semi-bright surfaces. In fact, this analysis reveals that the aerosol types occurred in mixtures with varying magnitudes of absorption and requires the use of more than one assumed aerosol mixture model. Furthermore, this technique will provide the aerosol transport model community a data set for validating aerosol type.

Giles, D. M.↗

Mass and momentum turbulent transport experiments with confined coaxial jets

An experimental study of mixing downstream of coaxial jets discharging into an expanded circular duct was conducted to obtain data for the evaluation and improvement of turbulent transport models. A combination of turbulent momentum transport rate and two components of velocity data were obtained from simultaneous measurements with a two-color LV system. A combination of turbulent mass transport rate, concentration and velocity data were obtained from simultaneous measurements with laser velocimeter (LV) and laser induced fluorescence (LIF) systems.

Johnson, B. V.↗

Algorithm for NO2 Vertical Column Retrieval from the Ozone Monitoring Instrument

We describe the operational algorithm for the retrieval of stratospheric, tropospheric, and total column densities of nitrogen dioxide NO2 from earthshine radiances measured by the Ozone Monitoring Instrument (OMI), aboard the EOS-Aura satellite. The algorithm uses the DOAS method for the retrieval of slant column NO densities. Air mass factors (AMFs) calculated from a stratospheric NO2 profile are used to make initial estimates of the vertical column density. Using data collected over a 24-h period, a smooth estimate of the global stratospheric field is constructed. Where the initial vertical column densities exceed the estimated stratospheric field, we infer the presence of tropospheric NO2, and recalculate the vertical column density (VCD) using an AMF calculated from an assumed tropospheric NO2 profile. The parameters that control the operational algorithm were selected with the aid of a set of data assembled from stratospheric and tropospheric chemical transport models. We apply the optimized algorithm to OMI data and present global maps of NO2 VCDs for the first time.

Bucsela, Eric J.↗

Software-Reconfigurable Processors for Spacecraft

A report presents an overview of an architecture for a software-reconfigurable network data processor for a spacecraft engaged in scientific exploration. When executed on suitable electronic hardware, the software performs the functions of a physical layer (in effect, acts as a software radio in that it performs modulation, demodulation, pulse-shaping, error correction, coding, and decoding), a data-link layer, a network layer, a transport layer, and application-layer processing of scientific data. The software-reconfigurable network processor is undergoing development to enable rapid prototyping and rapid implementation of communication, navigation, and scientific signal-processing functions; to provide a long-lived communication infrastructure; and to provide greatly improved scientific-instrumentation and scientific-data-processing functions by enabling science-driven in-flight reconfiguration of computing resources devoted to these functions. This development is an extension of terrestrial radio and network developments (e.g., in the cellular-telephone industry) implemented in software running on such hardware as field-programmable gate arrays, digital signal processors, traditional digital circuits, and mixed-signal application-specific integrated circuits (ASICs).

Farrington, Allen↗

A data acquisition and handling system for the measurement of radial plasma transport rates

A microcomputer serves as a programmable interface between high frequency transient recorders and a digital incremental tape recorder. An interactive program stored in the microcomputer permits the operator to enter various experimental parameters in response to queries from the system. The microcomputer then stores both the experimental parameters and the raw digital data on tape for later processing by a general purpose computer.

Krawczonek, W. M.↗

On the Issue of Excess Lower Stratospheric Subtropical Transport in GEOS-DAS

In recent years, data assimilation has become an indispensable tool for our understanding of the global features of meteorological variables. However, assessments of transport characteristics using trajectory related methods as well as chemical transport models (CTMs) show that results derived from assimilated (or analyzed) winds exhibit significantly larger mixing and entrainment rates compared to results derived from GCM winds, which are closer to results derived from observations (e.g., Douglass et al., 2002; Schoeberl et al., 2002). This discrepancy presents a serious challenge to our ability to understand and model global trace gas transport and distribution. We use the GEOS-DAS to explore this issue by examining how the process of data assimilation alters the dynamics of the underlying GCM and how this leads to the excess of lower stratospheric mixing and transport in the subtropics. In particular, we show that significant model biases in tropical winds necessitate large analysis increments. These increments directly force large subtropical regions of instability with negative PV gradient on the one hand, and generate excessive noise in the tropical wind fields on the other. The result is an excess of transport in the lower stratospheric subtropics.

Tan, Wei-Wu↗

Density estimation via measure transport: Outlook for applications in the biological sciences

Abstract One among several advantages of measure transport methods is that they allow or a unified framework for processing and analysis of data distributed according to a wide class of probability measures. Within this context, we present results from computational studies aimed at assessing the potential of measure transport techniques, specifically, the use of triangular transport maps, as part of a workflow intended to support research in the biological sciences. Scenarios characterized by the availability of limited amount of sample data, which are common in domains such as radiation biology, are of particular interest. We find that when estimating a distribution density function given limited amount of sample data, adaptive transport maps are advantageous. In particular, statistics gathered from computing series of adaptive transport maps, trained on a series of randomly chosen subsets of the set of available data samples, leads to uncovering information hidden in the data. As a result, in the radiation biology application considered here, this approach provides a tool for generating hypotheses about gene relationships and their dynamics under radiation exposure.

gene expression data↗

Predictions of entry heating for lower surface of shuttle orbiter

A broad base of thermocouple and phase change paint data was assembled and correlated to the nominal design 14414.1 and proposed STS-1 (first flight of the space transportation system) entry trajectories. Averaged data from phase change paint tests compared favorably with thermocouple data for predicting heating rates. Laminar and turbulent radiation equilibrium heating rates were computed on the lower surface of the Shuttle orbiter for both trajectories, and the lower surface center line results were compared both with aerodynamic heating design data and with flight values from the STS-1 and STS-2 trajectories. The peak laminar heating values from the aerodynamic heating design data book were generally 40 to 60 percent higher than the laminar estimates of this study, except at the 55 percent location of maximum span where the design data book values were less than 10 percent higher. Estimates of both laminar and turbulent heating rates compared favorably with flight data.

Edwards, C. L. W.↗

An Analysis of the Impact of Particle Growth on Transport Losses in Polymer-Electrolyte Fuel Cells

Voltage cycling causes catalyst nanoparticles in polymer-electrolyte fuel cells to grow. The concomitant loss of interfacial area results in larger kinetic, transport, and possibly ohmic overpotentials. This paper uses recently published experimental data and mathematical models to investigate the evolutions of transport and ohmic resistances to platinum nanoparticles located on the surface and inside the micropores of carbon black supports. Resistance to oxygen transport rises as surface area declines primarily because the flux to each remaining larger platinum particle increases. The path lengths governing oxygen diffusion to surface and buried platinum sites also increase as nanoparticles grow. Platinum nanoparticles on the surface become relatively less favorable as voltage cycling proceeds because they grow faster than platinum in micropores. Because voltage cycling causes total interfacial area to decline, and the fraction located inside micropores to increase, nanoscale ohmic losses increase as a catalyst layer decays. The practical importance of this effect is difficult to discern because proton conductivity in carbon micropores is not well characterized.

07 ISOTOPE AND RADIATION SOURCES↗

Multi-modal Energy-optimal Trip Scheduling in Real-time (METS-R) for Transportation Hubs (Final Report)

This report summarizes the work performed under the award number EE0008524. The project develops the Multi-modal Energy-optimal Trip Scheduling in Real-time (METS-R) platform as the next-generation transportation solution based on autonomous electric vehicles (AEV) serving passenger trips from and to urban transportation hubs, to substantially reduce transportation energy consumption. Extensive data collection and analyses were first conducted to understand the demand patterns and energy consumption of hub-based on-road trips. Then, a data-driven framework that consists of an analytical module and a simulation module was proposed. For the analytical module, five planning + operation tools were developed to support the planning and energy-efficient operations of urban AEV services: the charging station planning that robotically allocates charging supplies based on the stationary charging demand distribution; the transit planning and demand adaptive scheduling model that efficiently generates\ candidate transit routes from hubs to other places and dynamically adjusts the transit time table to fit the current demand; the online energy-efficient routing that learns the energy-optimal paths from observations of link-level energy consumption in real-time; the hub-based ridesharing that matches trip requests together with account for the uncertainty of future trip demand and vehicle supply; and finally, the integrated demand prediction and anomaly detection pipeline that leverages the flight/train time table and support other planning/operation tools. To demonstrate the performance of these tools, a scalable high-performance agent-based simulator was built. We divided the urban space into multiple service zones where each zone was considered as an agent for passenger generation and vehicle charging. Two types of AEV agents were coded to model two types of mobility services: AEV taxi and AEV transit. For the AEV taxi, the team implemented the functions of pickup/drop-off passengers, energy-efficient routing, ridesharing, fleet rebalancing, and recharging. For the AEV bus, the team implemented the functions of demand-adaptive route scheduling, passenger boarding, and recharging. A high-performance computing framework was introduced to receive various profiling information (such as link energy updates, vehicle speed) from the simulator instances and communicate the operational commands back to the instances. The numerical experiments show that each of the proposed operational algorithms can reduce energy consumption and improve system efficiency. Furthermore, there exists the need to collectively consider multiple planning + operational strategies as multiple strategies can influence each other in terms of performance impacts. Recommendations for future work related to AEV planning and simulation are discussed.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Interannual variability of the global net radiation balance and its consequence on global energy transport

Global cloudiness and radiation budget data from Nimbus 6 and 7 are used to investigate the role of cloud and surface radiative forcing and elements of the earth's general circulation. Although globally integrated cloud forcing is nearly zero, there are large regional imbalances and well regulated processes in the shortwave and longwave spectrum that control the meridional gradient structure of the net radiation balance and the factors modulating the east-west oriented North Africa-western Pacific energy transport dipole. The analysis demonstrates that clouds play a dual role in both the shortwave and longwave spectra in terms of tropical and midlatitude east-west gradients. The key result is that cloud forcing, although not always the principle regulator of interannual variability of the global climate, serves to reinforce the basic three-cell meridional circulation.

Smith, Eric A.↗

All-Inorganic Halide Perovskites as Potential Thermoelectric Materials: Dynamic Cation off-Centering Induces Ultralow Thermal Conductivity

Halide perovskites are anticipated to impact next generation high performance solar cells because of their extraordinary charge transport and optoelectronic properties. However, their thermal transport behavior has received limited attention. In this work, we studied the thermal transport and thermoelectric properties of the CsSnBr 3–x I x perovskites. We find a strong correlation between lattice dynamics and an ultralow thermal conductivity for series CsSnBr 3–x I x reaching 0.32 Wm –1 K –1 at 550 K. The CsSnBr 3–x I x also possess a decent Seebeck coefficient and controllable electrical transport properties. The crystallography data and theoretical calculations suggest the Cs atom deviates from its ideal cuboctahedral geometry imposed by the perovskite cage and behaves as a heavy atom rattling oscillator. This off-center tendency of Cs, together with the distortion of SnX 6 (X = Br or I) octahedra, produces a highly dynamic and disordered structure in CsSnBr 3–x I x , which gives rise to a very low Debye temperature and phonon velocity. Moreover, the low temperature heat capacity data suggests strong coupling between the low frequency optical phonons and heat carrying acoustical phonons. In conclusion, this induces strong phonon resonance scattering that induces the ultralow lattice thermal conductivity of CsSnBr 3–x I x .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗