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All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Kinematics and Kinetics of Squat and Deadlift Exercises with Varying Stance Widths

The primary motion of squat and deadlift exercise involves flexion and extension of the hips, knees, and ankles, but each exercise can be performed with variations in stance width. These variations may result in differing kinematics and ground reaction forces (GRF), which may in turn affect joint loading. PURPOSE: The purpose of this investigation was to compare ankle, knee, and hip kinematics and kinetics of normal squat (NS), wide-stance squat (WS), normal deadlift (ND), and sumo deadlift (SD). We hypothesized that hip joint kinematics and work at each joint would differ between exercise variations. METHODS: Six subjects (3 m/3 f; 70.0 plus or minus 13.7 kg; 168 plus or minus 9.9 cm) performed each lift in normal gravity on the ground-based version of the Advanced Resistive Exercise Device (ARED) used on the International Space Station. The ARED provided resistance with a combination vacuum tube/flywheel mechanism designed to replicate the gravitational and inertial forces of free weights. Subjects completed each lift with their 10-repetition maximum load. Kinematic data were collected at 250 Hz by a 12-camera motion-capture system (Smart-D, BTS Bioengineering, Milan, Italy), and GRF data were collected at 1000 Hz with independent force platforms for each leg (Model 9261, Kistler Instruments AG, Winterhur, Switzerland). All data were captured simultaneously on a single workstation. The right leg of a single lift for each motion was analyzed. Modeling software (OpenSim 2.2.0, Simbios, Palo Alto, CA) determined joint kinematics and net positive and negative work at each lower extremity joint. Total work was found as the sum of work across all joints and was normalized by system mass. Effect sizes and their 95% confidence intervals were computed between conditions. RESULTS: Peak GRF were similar for each lift. There were no differences between conditions in hip flexion range of motion (ROM). For hip adduction ROM, there were no differences between the NS, WS, and SD. However, hip adduction ROM was greater during the NS and SD than during the ND. Hip rotation ROM was greater during the WS than during the NS and SD, and was greater during the SD than during the ND. For knee and ankle flexion ROM, the ND, WS, and SD were not different, but ROM was greater during the NS than the ND and greater during the WS than the SD. Total eccentric work was greater during the WS than the SD. Otherwise, there were no differences in eccentric or concentric work between conditions. CONCLUSIONS: Although squat and deadlift exercises consist of similar motions, there are kinematic differences between them that depend on stance width. Total eccentric and concentric work are similar for different lifts, but differing kinematics may require activation of different musculature for each variation. With respect to each condition, in the ND the ROM of each joint tended to be less, and the WS tended to trade knee motion for hip motion. PRACTICAL APPLICATIONS: Knowledge of differences in kinematics and kinetics between different squat and deadlift variations is important for coaches and rehabilitation personnel to understand when prescribing exercise. Our results suggest that each variation of the squat and deadlift should be considered a separate exercise that may induce different long-term training effects.

DeWitt, John K.↗
NASA NTRS2012

High Fidelity Simulations of Plume Impingement to the International Space Station

With the retirement of the Space Shuttle, the United States now depends on recently developed commercial spacecraft to supply the International Space Station (ISS) with cargo. These new vehicles supplement ones from international partners including the Russian Progress, the European Autonomous Transfer Vehicle (ATV), and the Japanese H-II Transfer Vehicle (HTV). Furthermore, to carry crew to the ISS and supplement the capability currently provided exclusively by the Russian Soyuz, new designs and a refinement to a cargo vehicle design are in work. Many of these designs include features such as nozzle scarfing or simultaneous firing of multiple thrusters resulting in complex plumes. This results in a wide variety of complex plumes impinging upon the ISS. Therefore, to ensure safe "proximity operations" near the ISS, the need for accurate and efficient high fidelity simulation of plume impingement to the ISS is as high as ever. A capability combining computational fluid dynamics (CFD) and the Direct Simulation Monte Carlo (DSMC) techniques has been developed to properly model the large density variations encountered as the plume expands from the high pressure in the combustion chamber to the near vacuum conditions at the orbiting altitude of the ISS. Details of the computational tools employed by this method, including recent software enhancements and the best practices needed to achieve accurate simulations, are discussed. Several recent examples of the application of this high fidelity capability are presented. These examples highlight many of the real world, complex features of plume impingement that occur when "visiting vehicles" operate in the vicinity of the ISS.

Lumpkin, Forrest E., III↗
DOE OSTI2022

Volumetric Rendering on Wavelet-Based Adaptive Grid

Numerical modeling of physical phenomena frequently involves processes across a wide range of spatial and temporal scales. In the last two decades, the advancements in wavelet-based numerical methodologies to solve partial differential equations, combined with the unique properties of wavelet analysis to resolve localized structures of the solution on dynamically adaptive computational meshes, make it feasible to perform large-scale numerical simulations of a variety of physical systems on a dynamically adaptive computational mesh that changes both in space and time. Volumetric visualization of the solution is an essential part of scientific computing, yet the existing volumetric visualization techniques do not take full advantage of multi-resolution wavelet analysis and are not fully tailored for visualization of a compressed solution on the wavelet-based adaptive computational mesh. Our objective is to explore the alternatives for the visualization of time-dependent data on space-time varying adaptive mesh using volume rendering while capitalizing on the available sparse data representation. Two alternative formulations are explored. The first one is based on volumetric ray casting of multi-scale datasets in wavelet space. Rather than working with the wavelets at the finest possible resolution, a partial inverse wavelet transform is performed as a preprocessing step to obtain scaling functions on a uniform grid at a user-prescribed resolution. As a result, a solution in physical space is represented by a superposition of scaling functions on a coarse regular grid and wavelets on an adaptive mesh. An efficient and accurate ray casting algorithm is based just on these coarse scaling functions. Additional details are added during the ray tracing by taking an appropriate number of wavelets into account based on support overlap with the interpolation point, wavelet coefficient magnitude, and other characteristics, such as opacity accumulation (front to back ordering) and deviation from frontal viewing direction. The second approach is based on complementing of wavelet-based adaptive mesh to the traditional Adaptive Mesh Refinement (AMR) mesh. Both algorithms are illustrated and compared to the existing volume visualization software for Rayleigh-Benard thermal convection and electron density data sets in terms of rendering time and visual quality for different data compression of both wavelet-based and AMR adaptive meshes.

Vezolainen, Alexei V.↗
DOE OSTI2016

Combined High Spectral Resolution Lidar and Millimeter Wavelength Radar Measurement of Ice Crystal Precipitation

The goal of this research has been to improve measurements of snowfall using a combination of millimeter-wavelength radar and High Spectral Resolution Lidar (HSRL) Observations. Snowflakes are large compared to the 532nm HSRL wavelength and small compared to the 3.2 and 8.6 mm wavelength radars used in this study. This places the particles in the optical scattering regime of the HSRL, where extinction cross-section is proportional to the projected area of the particles, and in the Rayleigh regime for the radar, where the backscatter cross-section is proportional to the mass-squared of the particles. Forming a ratio of the radar measured cross-section to the HSRL measured cross section eliminates any dependence on the number of scattering particles, yielding a quantity proportional to the average mass-squared of the snowflakes over the average area of the flakes. Using simultaneous radar measurements of particle fall velocities, which are dependent particle mass and cross-sectional area it is possible to derive the average mass of the snow flakes, and with the radar measured fall velocities compute the snowfall rate. Since this retrieval requires the optical extinction cross-section we began by considering errors this quantity. The HSRL is particularly good at measuring the backscatter cross-section. In previous studies of snowfall in the high Arctic were able to estimate the extinction cross-section directly as a fixed ratio to the backscatter cross-section. Measurements acquired in the STORMVEX experiment in Colorado showed that this approach was not valid in mid-latitude snowfalls and that direct measurement of the extinction cross-section is required. Attempts to measure the extinction directly uncovered shortcomings in thermal regulation and mechanical stability of the newly deployed DOE HSRL systems. These problems were largely mitigated by modifications installed in both of the DOE systems. We also investigated other sources of error in the HSRL direct measurement of extinction (see appendix II of this report). We also developed improved algorithms to extract extinction from the HSRL data. These have been installed in the standard HSRL data processing software and are now available to all users of HSRL data. Validation of snowfall measurements has proven difficult due to the unreliability of conventional snowfall measurements coupled with the complexity of considering the vast variety of snowflake geometries. It was difficult to tell how well the algorithm’s approach to accommodating differences in snowflakes was working without good measurements for comparison. As a result, we decided to apply this approach to the somewhat simpler, but scientifically important, problem of drizzle measurement. Here the particle shape is known and the conventional measurement are more reliable. These algorithms where successfully applied to drizzle data acquired during the ARM MAGIC study of marine stratus clouds between California and Hawaii (see Appendix I). This technique is likely to become a powerful tool for studying lifetime of the climatically important marine stratus clouds.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Solving Complex Radioactive Decay Chains for Future Assessment and Cleanup Decisions - 17046

In support of U.S. Environmental Protection Agency's on-line calculators for risk and dose assessment, a decay chain tool was developed to address the need to understand how radionuclide activity changes with time as the activity measured in the past will be different from current and future levels. When a radionuclide decays, its activity decreases exponentially as a function of time transforming into a different atom - a decay product. The atoms keep transforming to new decay products until they reach a stable state and are no longer radioactive. The series of decay products created to reach this balance is called the decay chain. For radionuclide chains, the daughter products can have significant implications in dosimetry and remediation. Thus, risk assessors evaluating sites with radioactive contamination need to plan for future progeny ingrowth, in addition to sampled radionuclides. These are important considerations for risk quantification during the characterization and cleanup plans, particularly when sampling may have occurred years before the remediation cleanup work begins. If a radionuclide half-life and current activity are known, then hand-calculating the future activity is straightforward. However, calculating the ingrowth of progeny quickly becomes cumbersome for longer chains such as the Thorium-232 decay series. For the more complex chains where many daughters are formed, possibly with multiple branches, this calculation involves solving a complex set of simultaneous differential equations known as the Bateman Equation. The Decay Chain Activity Projection Tool calculates the activity of radionuclides and their progeny as a function of time. This tool currently uses a combination of Perl, JavaScript, Plot.ly, and jQuery to automatically construct the radionuclide decay chains, solve the resulting Bateman Equation, and provide the user with tabular solution output and plots. Additional software may be used as development advances. The risk assessor can then use the data for exposure assessment and cleanup decisions without further costly sampling. The benefits of providing this calculator are to prevent overestimation of risk due to decay of the parent isotope and to avoid underestimation of risk due to ingrowth of progeny more toxic than the parent. Graphs are provided to show the simultaneous decay rates and ingrowth, as well as tabular output at time-point T and all the decay half-life intervals. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Discovering the desirable alleles contributing to the lignocellulosic biomass traits in Saccharum germplasm collections for energy cane improvement

1) The success in crop improvement programs depends largely on the extent of genetic variability available. Germplasm collections assembles all the available genetic resources and are critical for long-term crop improvement. This world sugarcane germplasm collection contains enormous genetic variability for various morphological traits, biomass yield components, adaptation and many quality traits, prospectively imbeds a large number of valuable alleles for biofuel traits such as high biomass yield, quantity and quality of lignocelluloses, stress tolerance, and nutrient use efficiency. The germplasm collection is of little value unless it is characterized and utilized for crop improvement. In this project, we phenotypically and genotypically characterized the sugarcane world germplasm collection (The results were published in two papers already and another two papers are to be published). This data will be made available for public to refer to for germplasm unitization specifically in the sugarcane and energy cane breeding programs. In addition, we are identifying the alleles contributing to the biomass traits in sugarcane germplasm. This part of project is very challenging due to the large genome and highly polyploid level of this crop. We firstly established a high throughput sugarcane genotyping pipeline in the genome and bioinformatics era (a paper is published in 2016). We identified and modified a software for genome-wide association analysis of polyploid species. The results of the alleles associated to the biomass traits will be published soon, which will help the scientific community understand the genetic makeup of the biomass components of sugarcane. Molecular breeders can develop markers for marker assisted selection of biomass traits improvement. Further, the development and release of new energy cane cultivars through this project not only improved genetic diversity but also improved dry biomass yields and resistance to diseases. These new cultivars were tested on marginal soils in Florida and showed very promising yield potential that is important for the successful use of energy cane as a dedicated feedstock for lignocellulosic ethanol production. 2) Multiple techniques at different project progress stages were utilized. For example, for the whole world germplasm accession genotyping, a cheap widely used SSR marker genotyping platform was utilized due to the large number of samples (over thousand). But the throughput of this technique is low in generating data points. However, the purpose the genotyping is to form a core collection for further high throughput genotyping. Thus the results from the SSR genotyping was quite good enough to generated the core collection. To genotype the few hundred core collection accessions, an target enrichment sequencing technology was used, which is not only high throughput in generating large number of genotyping data, but also has the candidate genes targeted to genotyping. The data generated would be sufficient in identifying the alleles contributing to the traits of interests. All the techniques used in this project are effective though extensive time was invested specifically for establish the pipeline in the experimental design, data analysis, and different approach comparison. 3) the research can benefit to the public in polyploid genotyping and new and cost efficient genotyping platform development

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Advanced Solar and Load Forecasting Incorporating HD Sky Imaging: BNL Phase II Activities (Final Report)

Over the last ten years, lower costs and government incentives for rooftop and utility scale solar photovoltaic (PV) systems have led to a rapid growth in the amount of power generated from this renewable energy source. For example, the cumulative PV generating capacity of 1,160 MW in New York State at the end of 2018 represents a growth of more than 4,000% over the past seven years and almost 400% over the past five years. But increased dependence on this inherently variable energy source introduces the need to anticipate, i.e., forecast, changes in energy production and manage them appropriately. Utilities and grid operators can then use this forecast information to balance changes and maintain stability of the electric grid by adding additional sources or diverting excess supplies for sale or storage, as needed. Current techniques based on persistence modeling are not accurate enough to provide reliable forecasts. With support from the U.S. Department of Energy’s Solar Energy Technology Office (DOE SETO) and the New York Power Authority (NYPA), Brookhaven National Laboratory (BNL), the National Center for Atmospheric Research (NCAR), and the Electric Power Research Institute (EPRI) formed a collaborative team to provide reliable forecasting over a range of time intervals. In addition, the forecasting area was scaled up to about 50 km2, a factor of 20 times larger than previously achieved, so that available solar irradiance could be forecast throughout an entire region including both large generating facilities and distributed rooftop solar arrays. In its role, BNL developed a technology for predicting changes in available solar energy from zero to 30 minutes ahead. This “nowcasting” approach uses inexpensive, off-the-shelf, high definition (HD) imagers with custom software to identify and track the movement of approaching clouds and predict their impact on available solar irradiance. The BNL Nowcasting model improves forecasting accuracy by 20 to 50% over current techniques. Forecasting reliability for low clouds (worst case scenario since they move over solar panels more rapidly than high clouds) was calculated to be 95% accurate for forecast periods of five minute ahead. Reliability decreases with longer forecast time intervals and was calculated to be about 80% for 10 minute forecasts, and about 70% for 20 minutes ahead. Clouds were still reliably tracked by the imager network at 60% accuracy for forecast lead times up to about 30 minutes ahead, and this was determined to be the practical nowcasting limit for low clouds in a network of this scale. This work represents the second phase of a multi-phase effort to develop and deploy solar forecasting at a regional scale so that contributions from distributed rooftop solar resources can be forecast along with solar generating facilities, giving utilities and stakeholders an accurate assessment of future energy production. Additional work is planned to operate the forecasting network in an area upstate New York to assess system reliability under diverse meteorological conditions and to monitor system performance over a full range of seasonal variability.

14 SOLAR ENERGY↗
DOE OSTI2021

Nondestructive Characterization of Antireflective Coatings on PV Modules

Antireflective coatings (ARCs) are used on the vast majority of solar photovoltaic (PV) modules to increase power production. However, ARC longevity can vary from less than 1 to over 15 years depending on coating quality and deployment conditions. A technique that can quantify ARC degradation nondestructively on commercial modules would be useful both for in-field diagnostics and accelerated aging tests. In this article, we demonstrate that accurate measurements of ARC spectral reflectance can be performed using a modified commercially available integrating-sphere probe. The measurement is fast, accurate, nondestructive, and can be performed outdoors in full-sun conditions. We develop an interferometric model that estimates coating porosity, thickness, and fractional area coverage from the measured reflectance spectrum for a uniform single-layer coating. We demonstrate the measurement outdoors on an active PV installation, identify the presence of an ARC, and estimate the properties of the coating.

14 SOLAR ENERGY↗
DOE OSTI2016

A Computational-Experimental Study of Plasma Processing of Carbides at High Temperatures

The effects of plasma on carbides were computationally investigated for the ultimate development of adherent, dense scales such as Al 2 O 3 -TiO 2 systems toward oxidation resistance at 1873 K. An alumina scale forms on the carbide because of the significant stability of Al 2 O 3 as the outer scale adjacent to the gas phase compared to rutile, though TiO and Ti 2 O 3 may form as components of an inner layer of a complicated scale. A sequence of surface reactions starting with the adsorption of oxygen on the surface was applied to experimental data from Donnelly’s research group who reported the adsorption of O 2 in a plasma atmosphere as a function of power. In addition to the adsorbed oxygen (Oad) as the rate determining step, it controlled the cascading reaction sequence of the adsorbed species of AlO, AlO 2 and AlO 3 , as indicated in the present study. The rate of oxygen adsorption also depends on the ratio of the final to initial adsorbed oxygen as a function the oxygen potential. In a secondary research thrust, Ti 3 AlC was synthesized and subsequently oxidized. A 39Ti-14Al-47TiC (in wt%) mixture was equilibrated by using a pseudo-isopiestic technique to form ultimately an aggregate of Ti3AlC, Ti 2 AlC and TiC phases. The aggregate was primarily composed of Ti 3 AlC with minor amounts of Ti 2 AlC and TiC, as determined by an X-ray diffraction analysis. The Ti 3 AlC/Ti 2 AlC/TiC aggregate was subsequently oxidized at 1873 K to form a scale composed of an outer layer of Al 2 O 3 -TiO 2 -Al 2 TiO 5 with an inner layer consisting of TiO-Al 2 O 3 - Al 4 CO 3 . The measured scale thickness grew according to Wagner’s parabolic growth rate, which estimates an effective diffusion coefficient of 6 (10)-8 cm 2 /s. The scale appears to grow with Ti ions migrating outward from the Ti 3 AlC/Ti 2 AlC/TiC core and oxygen ions diffusing inwardly toward the core. The transient temperature distribution of a cylindrical, carbide packed bed (i.e., B4C) was simulated with COMSOL software to determine the response of the bed to a sudden temperature spike exposed to the outer wall of the bed. The temperature distribution of B4C was similarly heated and compared with Hf and Zr metal. The thermal conductivity of Hf and Zr is higher than the B4C packed bed and hence they respond quicker than B4C. The packed bed still takes approximately 1200 s to plateau the temperature distribution between the cylinder surfaces to the centerline of the carbide packed bed of 5 cm diameter. Though the modeling of the distributions in the carbide packed bed gives an understanding of the transient heat response behavior driven by radiation, the effect of the plasma on the surface temperature of individual carbide particles needs further investigation to understand the plasma contribution to densification of a carbide packed bed.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Three degree-of-freedom force feedback control for robotic mating of umbilical lines

The use of robotic manipulators for the mating and demating of umbilical fuel lines to the Space Shuttle Vehicle prior to launch is investigated. Force feedback control is necessary to minimize the contact forces which develop during mating. The objective is to develop and demonstrate a working robotic force control system. Initial experimental force control tests with an ASEA IRB-90 industrial robot using the system's Adaptive Control capabilities indicated that control stability would by a primary problem. An investigation of the ASEA system showed a 0.280 second software delay between force input commands and the output of command voltages to the servo system. This computational delay was identified as the primary cause of the instability. Tests on a second path into the ASEA's control computer using the MicroVax II supervisory computer show that time delay would be comparable, offering no stability improvement. An alternative approach was developed where the digital control system of the robot was disconnected and an analog electronic force controller was used to control the robot's servosystem directly, allowing the robot to use force feedback control while in rigid contact with a moving three-degree-of-freedom target. An alternative approach was developed where the digital control system of the robot was disconnected and an analog electronic force controller was used to control the robot's servo system directly. This method allowed the robot to use force feedback control while in rigid contact with moving three degree-of-freedom target. Tests on this approach indicated adequate force feedback control even under worst case conditions. A strategy to digitally-controlled vision system was developed. This requires switching between the digital controller when using vision control and the analog controller when using force control, depending on whether or not the mating plates are in contact.

Fullmer, R. Rees↗
DOE OSTI2020

Total Measurement Uncertainty in Neutron Coincidence Multiplicity Analysis

Neutron multiplicity counting is the most commonly used nondestructive assay technique for determining the plutonium mass within containers of scrap PuO 2 or mixed oxide (MOX). In multiplicity analysis, the 240 Pu eff mass, leakage multiplication, and alpha ratio (the ratio of [α, n]-to-spontaneous fission neutron production) are the three primary unknown sample properties. They must be determined simultaneously. To solve for these three unknowns in a multiplicity assay, three measured values are needed: the singles, doubles, and triples neutron count rates. While the analysis is limited to solving for three unknowns, there are many additional factors that impact the observed count rates and contribute to the measurement uncertainty. In this study we investigate the various uncertainty contributors for the multiplicity analysis through a combination of traditional uncertainty propagation techniques supplemented by Monte Carlo simulations to address the dependences not explicitly expressed by the point source model. Uncertainties arising from counting statistics, calibration parameters, calibration method, nuclear data, and various material characteristics (isotopic abundances, chemical form, density, and impurities) are considered. A Total Measurement Uncertainty (TMU) estimate is then developed from these uncertainty contributors. This study is confined to multiplicity analysis of items commonly encountered in international safeguards applications. That is, the study focused on Pu oxides and MOX materials for the masses ranging up to 4000 grams total Pu. Multiplicity measurements were simulated using MCNP V6 based on the Plutonium Scrap Multiplicity Counter (PSMC), Epithermal Multiplicity Counter (ENMC), Pyrochemical Multiplicity Counter, and Large Epithermal Multiplicity Counter (LEMC) for this study; however, this report focuses on the parameterization of the uncertainties for the PSMC. The performance differences between the PSMC and the other multiplicity counting systems are relatively small, primarily manifesting in the impact on measurement precision so that the evaluation developed for the PSMC can be applied to the other multiplicity counting systems. Finally an analysis tool, the Multiplicity TMU Estimator, was developed from this study to serve as an aid for evaluation of the total measurement uncertainty of multiplicity assay results obtained from the commonly used INCC acquisition and analysis software.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Using GIS for Processing, Analysis and Visualization of Hydrological Model Data - 16202

The Applied Research Center at Florida International University (ARC-FIU) is supporting the soil and groundwater remediation efforts of the U.S. Department of Energy's (DOE's) Savannah River Site (SRS) by developing a surface water model to simulate the hydrology and the fate and transport of contaminants and sediment in the Tims Branch watershed. Advances in ArcGIS software through the development of spatial GIS database (geo-database) technology, coupled with the development of data models such as ArcHydro which possesses a spatial relational database management system (RDMS) schema and relationship structure specific to hydrologic systems, provides modelers with tools and applications to assist in the processing, analysis and visualization of flow and contaminant transport data. In addition, the coupling of this type of geo-database structure with a numerical modeling package such as MIKE SHE/MIKE 11 can serve as an efficient tool that significantly reduces the time needed for data preparation. The MIKE modeling system has a geographic information systems (GIS) user interface built into its system that can directly use GIS data for model inputs. GIS-based hydrologic models can provide a spatial element that other hydrologic models lack. GIS is important for processing and analysis of large spatio-temporal datasets derived from multiple sources that are being used for setting up of models, model calibration and simulation of flow and contaminant fate and transport. GIS-based approaches in hydrological modeling can also provide the benefit of combining different layers of geographic data to create new integrated information which can be quite useful for creating dependent or independent hydrological variables. ARC-FIU has developed an ArcGIS geo-database to support the hydrological modeling work being conducted at SRS. The SRS geo-database was developed based on the ArcHydro and ArcGIS Base Map data models with modifications made for project specific input parameters. The significance of this approach was to ensure its replicability for potential application at other DOE sites. The SRS geo-database assists in the storage and management of GIS and time series data being used for hydrological model development at Savannah River Site. Other GIS tools such as ArcGIS Model Builder coupled with Python scripting have enabled the automation of many of the repetitive geo-processing tasks required for pre- and post-processing of the hydrological modeling data. Automation of many of the data processing tasks has facilitated faster and hence more complex analyses of field test data. The toolbox created is also a scalable and reusable application that can be implemented in other watersheds. This paper describes the use of ArcGIS tools for the pre-processing, spatial delineation and analysis of hydrological model data; for automation of repetitive geo-processing tasks; and for visualization of different hydrological components of the Tims Branch watershed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2004

Digital communication constraints in prior space missions

Digital communication is crucial for space endeavors. Jt transmits scientific and command data between earth stations and the spacecraft crew. It facilitates communications between astronauts, and provides live coverage during all phases of the mission. Digital communications provide ground stations and spacecraft crew precise data on the spacecraft position throughout the entire mission. Lessons learned from prior space missions are valuable for our new lunar and Mars missions set by our president s speech. These data will save our agency time and money, and set course our current developing technologies. Limitations on digital communications equipment pertaining mass, volume, data rate, frequency, antenna type and size, modulation, format, and power in the passed space missions are of particular interest. This activity is in support of ongoing communication architectural studies pertaining to robotic and human lunar exploration. The design capabilities and functionalities will depend on the space and power allocated for digital communication equipment. My contribution will be gathering these data, write a report, and present it to Communications Technology Division Staff. Antenna design is very carefully studied for each mission scenario. Currently, Phased array antennas are being developed for the lunar mission. Phased array antennas use little power, and electronically steer a beam instead of DC motors. There are 615 patches in the phased array antenna. These patches have to be modified to have high yield. 50 patches were created for testing. My part is to assist in the characterization of these patch antennas, and determine whether or not certain modifications to quartz micro-strip patch radiators result in a significant yield to warrant proceeding with repairs to the prototype 19 GHz ferroelectric reflect-array antenna. This work requires learning how to calibrate an automatic network, and mounting and testing antennas in coaxial fixtures. The purpose of this activity is to assist in the set-up of phase noise instrumentation, assist in the process of automated wire bonding, assist in the design and optimization of tunable microwave components, especially phase shifters, based on thin ferroelectric films, and learn how to use commercial electromagnetic simulation software.

Yassine, Nathan K.↗
DOE OSTI2021

Transient cycling of nitrogen, organic carbon and oxygen within the free-flowing Columbia River corridor: Linking exposure time dependent biogeochemical reactions to river stage fluctuations (Final project report)

The objective of this project was to develop next-generation techniques for representing the transformations of complex reaction networks like those impacting transient river-corridors, then apply them to develop upscaling tools. The project contributed significantly to the development of Lagrangian “mass transfer particle tracking” (MTPT) tools that are the first numerical framework that explicitly separates mixing and spreading processes; a crucial distinction for accurate representations of reaction rates across scales. The MTPT approach uses an operator splitting scheme where physical transport processes are simulated using classical random walk methods and each particle is treated as a “container” that carries with it any number of chemical species. Mixing between particles is simulated using a colocation-probability based mass transfer kernel and reactions are evaluated on each particle after mixing. The method is stable, accurate, and also allows the explicit modeling of residence time distributions of the individual containers of mass. The MTPT scheme allowed us to explore several research questions related to reactive transport in river corridors and complex reaction networks. We found that it is possible to quantify the exposure time distributions (ETDs) of reactants and that this does suggest some pathways to upscaling. However, comparable approximations can be obtained using simplified (reduced dimensionality) MTPT simulations in less time with similar uncertainty, so development of extensive ETD-based methods was not productive. The major findings are that i) the MTPT schemes are robust and highly accurate across a range of arbitrarily complex reactions, ii) the methods can be efficiently parallelized and the parallel performance characteristics of MTPT are predictable, and iii) the MTPT tools allow simultaneous tracking of residence time. The development of these research tools into efficient software packages continues. The methods are already available to the community because open-source, working examples have been included with all publications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Direct measurement of electron beam quality conversion factors using water calorimetry

Purpose: In this work, the authors describe an electron sealed water calorimeter (ESWcal) designed to directly measure absorbed dose to water in clinical electron beams and its use to derive electron beam quality conversion factors for two ionization chamber types. Methods: A functioning calorimeter prototype was constructed in-house and used to obtain reproducible measurements in clinical accelerator-based 6, 9, 12, 16, and 20 MeV electron beams. Corrections for the radiation field perturbation due to the presence of the glass calorimeter vessel were calculated using Monte Carlo (MC) simulations. The conductive heat transfer due to dose gradients and nonwater materials was also accounted for using a commercial finite element method software package. Results: The relative combined standard uncertainty on the ESWcal dose was estimated to be 0.50% for the 9–20 MeV beams and 1.00% for the 6 MeV beam, demonstrating that the development of a water calorimeter-based standard for electron beams over such a wide range of clinically relevant energies is feasible. The largest contributor to the uncertainty was the positioning (Type A, 0.10%–0.40%) and its influence on the perturbation correction (Type B, 0.10%–0.60%). As a preliminary validation, measurements performed with the ESWcal in a 6 MV photon beam were directly compared to results derived from the National Research Council of Canada (NRC) photon beam standard water calorimeter. These two independent devices were shown to agree well within the 0.43% combined relative uncertainty of the ESWcal for this beam type and quality. Absorbed dose electron beam quality conversion factors were measured using the ESWcal for the Exradin A12 and PTW Roos ionization chambers. The photon-electron conversion factor, k{sub ecal}, for the A12 was also experimentally determined. Nonstatistically significant differences of up to 0.7% were found when compared to the calculation-based factors listed in the AAPM’s TG-51 protocol. General agreement between the relative electron energy dependence of the PTW Roos data measured in this work and a recent MC-based study are also shown. Conclusions: This is the first time that water calorimetry has been successfully used to measure electron beam quality conversion factors for energies as low as 6 MeV (R{sub 50} = 2.25 cm)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Final technical report: SciDAC partnership "Predictive Computing for Condensed Matter"

Fundamental progress in energy technology depends critically on our ability to design, fabricate, characterize, and optimize advanced materials that can convert, transport, and store energies as well as display useful functions at minimum energy consumptions. To achieve this, we must first understand mechanisms underlying the functions and then be able to design materials with predicted properties. Unlike conventional structural materials, optoelectronic or magnetic materials for energy technology operate by quantum mechanical principles, which are hard to extract from experiments alone. Some representative unsolved problems of condensed-phase electronic structures in general include (1) the detailed mechanism of high-temperature superconductors such as cuprates and iron-arsenide materials; (2) the structures of solids in the presence of polymorphism; (3) excited states in solids and systematically accurate calculations of quasiparticle energy bands; (4) the structure of strongly correlated wave functions of solids. In this project, we aim at establishing general and predictive mathematical theories for solids and computational methods that implement them. We will then apply these methods to outstanding solid-state problems recognized by experimentalists including the above, with a view to solving them computationally. Hence, the project has the following three research objectives, all of which have been met: Predictive Electronic Structure Theories for Solids, Scalable Algorithms and Software, and Applications to Outstanding Condensed Matter Problems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Extending the capillary wave model to include the effect of bending rigidity: X-ray reflectivity and diffuse scattering

The surface roughness of a thin film at a liquid interface exhibits contributions of thermally excited fluctuations. This thermal roughness depends on temperature (𝑇), surface tension (𝛾), and elastic material properties, specifically the bending modulus (𝜅) of the film. A nonzero 𝜅 suppresses the thermal roughness at small length scales compared to an interface with zero 𝜅, as expressed by the power spectral density of the thermal roughness. The description of the x-ray scattering of the standard capillary wave model (CWM), which is valid for zero 𝜅, is extended to include the effect of 𝜅. The extended CWM (eCWM) provides a single analytical form for both the specular x-ray reflectivity (XRR) and the diffuse scattering around the specular reflection, and recovers the expression of the CWM at its zero 𝜅 limit. This theoretical approach enables the use of single-shot grazing incidence x-ray off-specular scattering (GIXOS) measurements for characterizing the structure of thin films on a liquid surface. The eCWM analysis approach decouples the thermal roughness factor from the surface scattering signal, providing direct access to the intrinsic surface-normal structure of the film and its bending modulus. Moreover, the eCWM facilitates the calculation of reflectivity at any desired resolution (pseudo-XRR approach). The transformation into pseudo-XRR provides the benefit of using widely available XRR software to perform GIXOS analysis. The extended range of the vertical scattering vector (𝑄 𝑧 ) available with the GIXOS pseudo-XRR approach allows for a higher spatial resolution than with conventional XRR. Experimental results are presented for various lipid systems, showing strong agreement between conventional specular XRR and pseudo-XRR methods. This agreement validates the proposed approach and highlights its utility for analyzing soft, thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Elevating SolTrace's Capabilities for the Next Generation of Concentrating Solar Analysis

SolTrace is an open-source Monte Carlo ray tracing software developed at NREL. SolTrace can characterize concentrating solar thermal (CST) collector optical performance and is CST technology agnostic. Shown in Fig. 1, SolTrace is a foundational tool in NREL's CST system and component modeling suite. SolTrace's generic surface elements can flexibly model novel collector and receiver designs to predict spatial and temporal flux distributions - critical to understand for CST component design, performance prediction, and system integration. Since its initial development, SolTrace has over 1,650 references on Google Scholar, over 9,800 downloads since 2017, and has served the CST research and development community as a benchmark of 3rd party verification. SolTrace provides users with many options for defining surface shape and boundaries. However, SolTrace provides limited documentation which can result in a steep learning curve for new users. Additionally, SolTrace lacks the computational performance required to evaluate optical performance of a CST system over the course of a year and/or iteratively over design parameters in a timely manner. To address this, we are working towards a new release of SolTrace that enables increased computational throughput by implementing ray tracing acceleration structures and enabling GPU parallelization. Additionally, we are working to improve SolTrace's usability, accessibility, and maintainability by (1) automating solar position time-dependent simulation processes, (2) creating general CST collector templates of grouped elements, (3) updating the user interface to better visualize model inputs and outputs, and (4) creating a user support network through forums, "how to" videos, and documentation.

14 SOLAR ENERGY↗