Results for “shared error” — Page 25

DOE OSTI2025

Accelerating Embedding Potential Optimization by Reconstructing the Pseudo-Valence Electron Density

Density functional embedding theory (DFET) enables use of electronic structure methods with higher accuracy than density functional theory in a local region, with applications thus far ranging from (photo/electro)catalysis to reactions in solution. DFET partitions a large collection of atoms into smaller groups that interact via a shared embedding (interaction) potential V emb , determined via functional optimization. The optimized effective potential (OEP) process used to optimize V emb is time-consuming and becomes a computational bottleneck due to sharp, oscillating features of V emb near nuclei. Here, similar to pseudopotential theory, by reconstructing electron densities used in the OEP process from smoother pseudo-valence-only (PVO) electron densities as proxies for total densities of the full system and subsystems, we can retain accuracy in the embedded electronic structure calculations while potentially reducing the overhead of V emb construction, within the projector augmented-wave (PAW) formalism. We explore three different chemical reactions as exemplars to test PVO–DFET, namely, H 2 dissociative adsorption on a Cu(111) surface, H 2 O adsorption on a Pt(111) surface, and aqueous [Ca 2+ –SO 4 2– ] ion-pair formation. The PVO approximation works well for all three systems with minimal loss of accuracy (∼10–70 meV error relative to the original exact-derivative (ED) approach) while accelerating V emb generation for the Cu and Pt systems respectively by 20× and 5×. Given proper numerical convergence parameters, the spatial distributions of differences between PVO- and ED-based V emb outside the core regions are small, explaining the exceptional agreement between the two approaches. Finally, we anticipate that this more efficient PVO–DFET approximation will be useful whenever computation of V emb is much more expensive than subsequent embedded high-level electron correlation calculations.

approximation↗

DOE OSTI2022

Machine Learning Assisted HPC Workload Trace Generation for Leadership Scale Storage Systems

Monitoring and analyzing a wide range of I/O activities in an HPC cluster is important in maintaining mission-critical performance in a large-scale, multi-user, parallel storage system. Center-wide I/O traces can provide high-level information and fine-grained activities per application or per user running in the system. Studying such large-scale traces can provide helpful insights into the system. It can be used to develop predictive methods for making predictive decisions, adjusting scheduling policies, or providing decisions for the design of next-generation systems. However, sharing real-world I/O traces to expedite such research efforts leaves a few concerns; i) the cost of sharing the large traces is expensive due to this large size, and ii) privacy concern is an issue.We address such issues by building an end-to-end machine learn- ing (ML) workflow that can generate I/O traces for large-scale HPC applications. We leverage ML based feature selection and gener- ative models for I/O trace generation. The generative models are trained on I/O traces collected by the darshan I/O characterization tool over a period of one year. We present a two-step generation process consisting of two deep-learning models, called the feature generator and the trace generator. The combination of two-step generative models provides robustness by reducing the bias of the model and accounting for the stochastic nature of the I/O traces across different runs of an application. We evaluate the performance of the generative models and show that the two-step model can generate time-series I/O traces with less than 20% root mean square error.

Paul, Arnab↗

NASA NTRS2005

Effect of contrast on the active control of a moving line

In many passive visual tasks, human perceptual judgments are contrast dependent. To explore whether these contrast dependencies of visual perception also affect closed-loop manual control tasks, we examined visuomotor performance as humans actively controlled a moving luminance-defined line over a range of contrasts. Four subjects were asked to use a joystick to keep a horizontal line centered on a display as its vertical position was perturbed by a sum of sinusoids under two control regimes. The total root mean square (RMS) position error decreased quasi-linearly with increasing log contrast across the tested range (mean slope across subjects: -8.0 and -7.7% per log2 contrast, for the two control regimes, respectively). Frequency-response (Bode) plots showed a systematic increase in open-loop gain (mean slope: 1.44 and 1.30 dB per log2 contrast, respectively), and decrease in phase lag with increasing contrast, which can be accounted for by a decrease in response time delay (mean slope: 32 and 40 ms per log2 contrast, respectively). The performance data are well fit by a Crossover Model proposed by McRuer and Krendel, which allowed us to identify both visual position and motion cues driving performance. This analysis revealed that the position and motion cues used to support manual control under both control regimes appear equally sensitive to changes in stimulus contrast. In conclusion, our data show that active control of a moving visual stimulus is as dependent on contrast as passive perception and suggest that this effect is attributed to a shared contrast sensitivity early in the visual pathway, before any specialization for motion processing.

Contrast Sensitivity/physiology↗

NASA NTRS2015

Risk of Performance and Behavioral Health Decrements Due to Inadequate Cooperation, Coordination, Communication, and Psychosocial Adaptation within a Team

A team is defined as: "two or more individuals who interact socially and adaptively, have shared or common goals, and hold meaningful task interdependences; it is hierarchically structured and has a limited life span; in it expertise and roles are distributed; and it is embedded within an organization/environmental context that influences and is influenced by ongoing processes and performance outcomes" (Salas, Stagl, Burke, & Goodwin, 2007, p. 189). From the NASA perspective, a team is commonly understood to be a collection of individuals that is assigned to support and achieve a particular mission. Thus, depending on context, this definition can encompass both the spaceflight crew and the individuals and teams in the larger multi-team system who are assigned to support that crew during a mission. The Team Risk outcomes of interest are predominantly performance related, with a secondary emphasis on long-term health; this is somewhat unique in the NASA HRP in that most Risk areas are medically related and primarily focused on long-term health consequences. In many operational environments (e.g., aviation), performance is assessed as the avoidance of errors. However, the research on performance errors is ambiguous. It implies that actions may be dichotomized into "correct" or "incorrect" responses, where incorrect responses or errors are always undesirable. Researchers have argued that this dichotomy is a harmful oversimplification, and it would be more productive to focus on the variability of human performance and how organizations can manage that variability (Hollnagel, Woods, & Leveson, 2006) (Category III1). Two problems occur when focusing on performance errors: 1) the errors are infrequent and, therefore, difficult to observe and record; and 2) the errors do not directly correspond to failure. Research reveals that humans are fairly adept at correcting or compensating for performance errors before such errors result in recognizable or recordable failures. Astronauts are notably adept high performers. Most failures are recorded only when multiple, small errors occur and humans are unable to recognize and correct or compensate for these errors in time to prevent a failure (Dismukes, Berman, Loukopoulos, 2007) (Category III). More commonly, observers record variability in levels of performance. Some teams commit no observable errors but fail to achieve performance objectives or perform only adequately, while other teams commit some errors but perform spectacularly. Successful performance, therefore, cannot be viewed as simply the absence of errors or the avoidance of failure Johnson Space Center (JSC) Joint Leadership Team, 2008). While failure is commonly attributed to making a major error, focusing solely on the elimination of error(s) does not significantly reduce the risk of failure. Failure may also occur when performance is simply insufficient or an effort is incapable of adjusting sufficiently to a contextual change (e.g., changing levels of autonomy).

Landon, Lauren Blackwell↗

DOE OSTI2014

Greenhouse Gas Source Attribution: Measurements Modeling and Uncertainty Quantification

In this project we have developed atmospheric measurement capabilities and a suite of atmospheric modeling and analysis tools that are well suited for verifying emissions of green- house gases (GHGs) on an urban-through-regional scale. We have for the first time applied the Community Multiscale Air Quality (CMAQ) model to simulate atmospheric CO 2 . This will allow for the examination of regional-scale transport and distribution of CO 2 along with air pollutants traditionally studied using CMAQ at relatively high spatial and temporal resolution with the goal of leveraging emissions verification efforts for both air quality and climate. We have developed a bias-enhanced Bayesian inference approach that can remedy the well-known problem of transport model errors in atmospheric CO 2 inversions. We have tested the approach using data and model outputs from the TransCom3 global CO 2 inversion comparison project. We have also performed two prototyping studies on inversion approaches in the generalized convection-diffusion context. One of these studies employed Polynomial Chaos Expansion to accelerate the evaluation of a regional transport model and enable efficient Markov Chain Monte Carlo sampling of the posterior for Bayesian inference. The other approach uses de- terministic inversion of a convection-diffusion-reaction system in the presence of uncertainty. These approaches should, in principle, be applicable to realistic atmospheric problems with moderate adaptation. We outline a regional greenhouse gas source inference system that integrates (1) two ap- proaches of atmospheric dispersion simulation and (2) a class of Bayesian inference and un- certainty quantification algorithms. We use two different and complementary approaches to simulate atmospheric dispersion. Specifically, we use a Eulerian chemical transport model CMAQ and a Lagrangian Particle Dispersion Model - FLEXPART-WRF. These two models share the same WRF assimilated meteorology fields, making it possible to perform a hybrid simulation, in which the Eulerian model (CMAQ) can be used to compute the initial condi- tion needed by the Lagrangian model, while the source-receptor relationships for a large state vector can be efficiently computed using the Lagrangian model in its backward mode. In ad- dition, CMAQ has a complete treatment of atmospheric chemistry of a suite of traditional air pollutants, many of which could help attribute GHGs from different sources. The inference of emissions sources using atmospheric observations is cast as a Bayesian model calibration problem, which is solved using a variety of Bayesian techniques, such as the bias-enhanced Bayesian inference algorithm, which accounts for the intrinsic model deficiency, Polynomial Chaos Expansion to accelerate model evaluation and Markov Chain Monte Carlo sampling, and Karhunen-Lo %60 eve (KL) Expansion to reduce the dimensionality of the state space. We have established an atmospheric measurement site in Livermore, CA and are collect- ing continuous measurements of CO 2 , CH 4 and other species that are typically co-emitted with these GHGs. Measurements of co-emitted species can assist in attributing the GHGs to different emissions sectors. Automatic calibrations using traceable standards are performed routinely for the gas-phase measurements. We are also collecting standard meteorological data at the Livermore site as well as planetary boundary height measurements using a ceilometer. The location of the measurement site is well suited to sample air transported between the San Francisco Bay area and the California Central Valley.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2014

How Accurate is Land/Ocean Moisture Transport Variability in Reanalyses?

Quantifying the global hydrological cycle and its variability across various time scales remains a challenge to the climate community. Direct measurements of evaporation (E), evapotranspiration (ET), and precipitation (P) are not feasible on a global scale, nor is the transport of water vapor over the global oceans and sparsely populated land areas. Expanding satellite data streams have enabled development of various water (and energy) flux products, complementing reanalyses and facilitating observationally constrained modeling. But the evolution of the global observing system has produced additional complications--improvements in satellite sensor resolution and accuracy have resulted in "epochs" of observational quasi-uniformity that can adversely affect reanalysis trends. In this work we focus on vertically integrated moisture flux convergence (VMFC) variations within the period 1979 - present integrated over global land. We show that VMFC in recent reanalyses (e.g. ERA-I, NASA MERRA, NOAA CFSR and JRA55) suffers from observing system changes, though differently in each product. Land Surface Models (LSMs) forced with observations-based precipitation, radiation and near-surface meteorology share closely the interannual P-ET variations of the reanalyses associated with ENSO events. (VMFC over land and P-ET estimates are equivalent quantities since atmospheric storage changes are small on these scales.) But the long-term LSM trend over the period since 1979 is approximately one-fourth that of the reanalyses. Additional reduced observation reanalyses assimilating only surface pressure and /or specifying seasurface temperature also have a much smaller trend in P-ET like the LSMs. We explore the regional manifestation of the reanalysis P-ET / VMFC problems, particularly over land. Both principal component analysis and a simple time series changepoint analysis highlight problems associated with data poor regions such as Equatorial Africa and, for one reanalysis, the Equatorial Andes region. Onset of the availability of passive microwave Special Sensor Microwave Imager (SSMI) moisture data in July 1987 and the transition from the Microwave Sounder Unit (MSU) to an advanced version (AMSU) have significant impacts on VMFC variability. Simple accounting for these errors of leading importance results in modified reanalysis VMFC estimates that agree much better with the LSM results. Regional details of the modified reanalysis VMFC and LSM P-ET are related to changes in Pacific Decadal Variability as manifest in SST changes after the late 1990s.

Robertson, F. R.↗

DOE OSTI2023

CPC data from TAMU TRACER campaign in the Houston, TX region from July to September 2022

During TRACER, the Texas A&M Rapid Onsite Atmospheric Measurements Van (ROAM-V) was deployed to capture airmasses behind (maritime) and ahead (continental) of the passage of the sea-breeze front through Houston. On select sampling days, ROAM-V sampled in the morning/mid-day on the coast and then transited to a second inland site for the afternoon/evening. The suite of instruments deployed on ROAM-V included a Condensation Particle Counter (CPC; GRIMM Model 5.403 CPC), Scanning Mobility Particle Sizer (SMPS; TSI 3750 detector, TSI 3082 classifier, TSI 3088 neutralizer, TSI 3081A Differential Mobility Analyzer), Cloud Condensation Nuclei counter (Droplet Measurement Technologies CCN Counter), micro pulse lidar (Droplet Measurement Technologies Micro Pulse LiDAR (miniMPL)), and a Davis Rotating Uniform size-cut Monitor (DRUM; DRUMAir 4-DRUM). Before sampling at each location, the latitude and longitude were recorded using the GPS on the phone application “My Altitude”. Onboard the ROAM-V, aerosol samples are drawn through a shared isokinetic inlet at a flow rate ranging from 3.5 to 7.0 LPM. A portion of this flow is directed through a cyclone impactor (Brechtel, Inc. Model SCC 0.732) and 0.3 LPM is directed to the CPC. To correct the data for particle losses, we used a two-step method. First, the measured SMPS size distributions were used to calculate total particle loss through the inlet for every SMPS scan at a single deployment location. Second, the CPC data was corrected for particle losses using the average of the total losses per scan. This calculation was done separately for each deployment location due to changes in the measured size distributions between locations. Particle loss from diffusion (based on Kesten, 1991 and Gormley, 1949), inertial impaction in 90-degree bends (based on Aerosol Measurement, 2011 and Crane, 1977), and cyclone impactor efficiency (based on Dirgo, 1985) were included in the loss calculation. When the SMPS was not sampling at a location (in the case of an instrument malfunction or operator error), the reported CPC data was corrected with an average of the total losses for the entire campaign at the specified deployment location (e.g., if we needed to correct Galveston data, then the average of all calculated losses at Galveston was taken). These flatline corrections were used for all data on 22/07/13, 22/07/20, 22/07/22, and the data from Galveston on 22/08/09. An additional flatline correction of 14% was applied to all CPC data based on laboratory calibration prior to and after the campaign. In laboratory calibrations, we identified that for the same sample of air the field CPC (GRIMM Model 5.403 CPC) undercounted the total concentration of particles by 14% compared to the ground truth laboratory CPC (TSI Model 3750). This data was collected for ARM Field Campaign AFC07055 and supported by DOE ASR grant DE-SC0021047. For any further questions, please feel free to contact the instrument PI, Sarah D. Brooks, sbrooks@tamu.edu. Kesten et. al. Calibration of a TSI Model 3025 Ultrafine Condensation Particle Counter. Aerosol Science and Technology, 15:2, 107-111, 1991. Gormley et. al. Diffusion from a Stream Flowing through a Cylindrical Tube. Proceedings of the Royal Irish Academy, Vol 52, 163-169, 1948. Aerosol Measurement: Principles, Techniques, and Applications, Third Edition. John Wiley & Sons, Inc, 2011. Crane et. al. Inertial Deposition of Particles in a Bent Pipe. Journal of Aerosol Science, Vol 8, 161-170, 1977. Dirgo et. al. Cyclone Collection Efficiency: Comparison of Experimental Results with Theoretical Predictions. Aerosol Science and Technology, 4:4, 401-415, 1985.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

CCN data from TAMU TRACER campaign in the Houston TX region from July to September 2022

During TRACER, the Texas A&M Rapid Onsite Atmospheric Measurements Van (ROAM-V) was deployed to capture airmasses behind (maritime) and ahead (continental) of the passage of the sea-breeze front through Houston. On select sampling days, ROAM-V sampled in the morning/mid-day on the coast and then transited to a second inland site for the afternoon/evening. The suite of instruments deployed on ROAM-V included a Condensation Particle Counter (CPC; GRIMM Model 5.403 CPC), Scanning Mobility Particle Sizer (SMPS; TSI 3750 detector, TSI 3082 classifier, TSI 3088 neutralizer, TSI 3081A Differential Mobility Analyzer), Cloud Condensation Nuclei counter (Droplet Measurement Technologies CCN Counter), micro pulse lidar (Droplet Measurement Technologies Micro Pulse LiDAR (miniMPL)), and a Davis Rotating Uniform size-cut Monitor (DRUM; DRUMAir 4-DRUM). Before sampling at each location, the latitude and longitude were recorded using the GPS on the phone application “My Altitude”. Onboard the ROAM-V, aerosol samples are drawn through a shared isokinetic inlet at a flow rate ranging from 3.5 to 7.0 LPM. A portion of this flow is directed through a cyclone impactor (Brechtel, Inc. Model SCC 0.732) and 0.5 LPM is directed to the CCN. To calculate particle losses, we used a two-step method. First, the measured SMPS size distributions were used to calculate particle loss through the inlet during sampling. Second, the corrected SMPS data was used to calculate the average of the total losses per scan down the CCN line. Then, the correction was applied to the CCN data. This calculation was done separately for each deployment location due to changes in the measured size distributions between locations. Particle loss from diffusion (based on Kesten, 1991 and Gormley, 1949), inertial impaction in 90-degree bends (based on Aerosol Measurement, 2011 and Crane, 1977), and cyclone impactor efficiency (based on Dirgo, 1985) were included in the loss calculation. When the SMPS was not sampling at a location (in the case of an instrument malfunction or operator error), the reported CPC data was corrected with an average of the total losses for the entire campaign at the specified deployment location (e.g., if we needed to correct Galveston data, then the average of all calculated losses at Galveston was taken). These flatline corrections were used for all data on 22/07/13, 22/07/20, 22/07/22, and the data from Galveston on 22/08/09. The supersaturation uncertainty is estimated conservatively at +/- 0.03%, where variation in the inlet temperature, pressure, and calibration technique prevents a more accurate measurement. Confidence in the reported supersaturation measurements is based on a pre-campaign calibration (following the methods from our previous work and Deng, 2014 based on Rose, 2008) in addition to inter-comparisons with the DOE for two days (22/08/18 and 22/09/01) where TAMU was co-located with AMF1. The inter-comparisons show good agreement between our instrument and the DOEs instrument on both days at all supersaturations. After the last inter-comparison on 22/09/01, there was no indication of a malfunction by our instrument through the rest of the campaign. Unfortunately, the instrument was dropped during demobilization. A post-campaign calibration was conducted, which showed a substantial departure from the pre-campaign calibration. The drop may have damaged the instrument’s ability to produce the desired supersaturations. Therefore, we do consider the data after 22/09/01 to be correct, but it should be used with caution. The CCN counter sampled for 3 minutes at each supersaturation setpoint (0.2, 0.4, 0.6, 0.8, 1.0, and 1.2%). At the end of a cycle, the instrument was set to 0.01% supersaturation for 5 minutes. The data is comprised of the last 60 seconds of each supersaturation set point (0.2, 0.4, 0.6, 0.8, 1.0, and 1.2%) to ensure the instrument stabilized and was able to reach thermal equilibrium. We removed the data during the periods where there were operational difficulties, setup, or maintenance. This data was collected for ARM Field Campaign AFC07055 and supported by DOE ASR grant DE-SC0021047. For any further questions, please feel free to contact the instrument PI, Sarah D. Brooks, sbrooks@tamu.edu. Rose et. al. Calibration and Measurement Uncertainties of a Continuous-Flow Cloud Condensation Nuclei Counter (DMT-CCNC): CCN Activation of Ammonium Sulfate and Sodium Chloride Aerosol Particles in Theory and Experiment. Atmos. Chem. Phys., 8, 1153-1179, 2008. Deng et. al. Using Raman Microspectroscopy to Determine Chemical Composition and Mixing State of Airborne Marine Aerosols over the Pacific Ocean. Aerosol Science and Technology, Vol 48, Issue 2, 2014. Kesten et. al. Calibration of a TSI Model 3025 Ultrafine Condensation Particle Counter. Aerosol Science and Technology, 15:2, 107-111, 1991. Gormley et. al. Diffusion from a Stream Flowing through a Cylindrical Tube. Proceedings of the Royal Irish Academy, Vol 52, 163-169, 1948. Aerosol Measurement: Principles, Techniques, and Applications, Third Edition. John Wiley & Sons, Inc, 2011. Crane et. al. Inertial Deposition of Particles in a Bent Pipe. Journal of Aerosol Science, Vol 8, 161-170, 1977. Dirgo et. al. Cyclone Collection Efficiency: Comparison of Experimental Results with Theoretical Predictions. Aerosol Science and Technology, 4:4, 401-415, 1985.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

A BASIS FOR MODIFYING THE TANK 12 COMPOSITE SAMPLING DESIGN

The SRR sampling campaign to obtain residual solids material from the Savannah River Site (SRS) Tank Farm Tank 12 primary vessel resulted in obtaining appreciable material in all 6 planned source samples from the mound strata but only in 5 of the 6 planned source samples from the floor stratum. Consequently, the design of the compositing scheme presented in the Tank 12 Sampling and Analysis Plan, Pavletich (2014a), must be revised. Analytical Development of SRNL statistically evaluated the sampling uncertainty associated with using various compositing arrays and splitting one or more samples for compositing. The variance of the simple mean of composite sample concentrations is a reasonable standard to investigate the impact of the following sampling options. Composite Sample Design Option (a). Assign only 1 source sample from the floor stratum and 1 source sample from each of the mound strata to each of the composite samples. Each source sample contributes material to only 1 composite sample. Two source samples from the floor stratum would not be used. Composite Sample Design Option (b). Assign 2 source samples from the floor stratum and 1 source sample from each of the mound strata to each composite sample. This infers that one source sample from the floor must be used twice, with 2 composite samples sharing material from this particular source sample. All five source samples from the floor would be used. Composite Sample Design Option (c). Assign 3 source samples from the floor stratum and 1 source sample from each of the mound strata to each composite sample. This infers that several of the source samples from the floor stratum must be assigned to more than one composite sample. All 5 source samples from the floor would be used. Using fewer than 12 source samples will increase the sampling variability over that of the Basic Composite Sample Design, Pavletich (2013). Considering the impact to the variance of the simple mean of the composite sample concentrations, the recommendation is to construct each sample composite using four or five source samples. Although the variance using 5 source samples per composite sample (Composite Sample Design Option (c)) was slightly less than the variance using 4 source samples per composite sample (Composite Sample Design Option (b)), there is no practical difference between those variances. This does not consider that the measurement error variance, which is the same for all composite sample design options considered in this report, will further dilute any differences. Composite Sample Design Option (a) had the largest variance for the mean concentration in the three composite samples and should be avoided. These results are consistent with Pavletich (2014b) which utilizes a low elevation and a high elevation mound source sample and two floor source samples for each composite sample. Utilizing the four source samples per composite design, Pavletich (2014b) utilizes aliquots of Floor Sample 4 for two composite samples.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2017

The Effects of Different Footprint Sizes and Cloud Algorithms on the Top-Of-Atmosphere Radiative Flux Calculation from the Clouds and Earth’s Radiant Energy System (CERES) Instrument on Suomi National Polar-Orbiting Partnership (NPP)

Only one Clouds and Earth’s Radiant Energy System (CERES) instrument is onboard the Suomi National Polar-orbiting Partnership (NPP) and it has been placed in cross-track mode since launch; it is thus not possible to construct a set of angular distribution models (ADMs) specific for CERES on NPP. Edition 4 Aqua ADMs are used for flux inversions for NPP CERES measurements. However, the footprint size of NPP CERES is greater than that of Aqua CERES, as the altitude of the NPP orbit is higher than that of the Aqua orbit. Furthermore, cloud retrievals from the Visible Infrared Imaging Radiometer Suite (VIIRS) and the Moderate Resolution Imaging Spectroradiometer (MODIS), which are the imagers sharing the spacecraft with NPP CERES and Aqua CERES, are also different. To quantify the flux uncertainties due to the footprint size difference between Aqua CERES and NPP CERES, and due to both the footprint size difference and cloud property difference, a simulation is designed using the MODIS pixel-level data, which are convolved with the Aqua CERES and NPP CERES point spread functions (PSFs) into their respective footprints. The simulation is designed to isolate the effects of footprint size and cloud property differences on flux uncertainty from calibration and orbital differences between NPP CERES and Aqua CERES. The footprint size difference between Aqua CERES and NPP CERES introduces instantaneous flux uncertainties in monthly gridded NPP CERES measurements of less than 4.0 W/sq. m for SW (shortwave) and less than 1.0 W/sq. m for both daytime and nighttime LW (longwave). The global monthly mean instantaneous SW flux from simulated NPP CERES has a low bias of 0.4 W/sq. m when compared to simulated Aqua CERES, and the root-mean-square (RMS) error is 2.2 W/sq. m between them; the biases of daytime and night- time LW flux are close to zero with RMS errors of 0.8 and 0.2 W/sq. m. These uncertainties are within the uncertainties of CERES ADMs. When both footprint size and cloud property (cloud fraction and optical depth) differences are considered, the uncertainties of monthly gridded NPP CERES SW flux can be up to 20 W/sq. m in the Arctic regions where cloud optical depth retrievals from VIIRS differ significantly from MODIS. The global monthly mean instantaneous SW flux from simulated NPP CERES has a high bias of 1.1 W/sq. m and the RMS error increases to 5.2 W/sq. m. LW flux shows less sensitivity to cloud property differences than SW flux, with uncertainties of about 2 W/sq. m in the monthly gridded LW flux, and the RMS errors of global monthly mean daytime and nighttime fluxes increase only slightly. These results highlight the importance of consistent cloud retrieval algorithms to maintain the accuracy and stability of the CERES climate data record.

Su, Wenying↗

DOE OSTI2016

MO-FG-CAMPUS-JeP1-05: Water Equivalent Path Length Calculations Using Scatter-Corrected Head and Neck CBCT Images to Evaluate Patients for Adaptive Proton Therapy

Purpose: To establish a method to evaluate the dosimetric impact of anatomic changes in head and neck patients during proton therapy by using scatter-corrected cone-beam CT (CBCT) images. Methods: The water equivalent path length (WEPL) was calculated to the distal edge of PTV contours by using tomographic images available for six head and neck patients received photon therapy. The proton range variation was measured by calculating the difference between the distal WEPLs calculated with the planning CT and weekly treatment CBCT images. By performing an automatic rigid registration, six degrees-of-freedom (DOF) correction was made to the CBCT images to account for the patient setup uncertainty. For accurate WEPL calculations, an existing CBCT scatter correction algorithm, whose performance was already proven for phantom images, was calibrated for head and neck patient images. Specifically, two different image similarity measures, mutual information (MI) and mean square error (MSE), were tested for the deformable image registration (DIR) in the CBCT scatter correction algorithm. Results: The impact of weight loss was reflected in the distal WEPL differences with the aid of the automatic rigid registration reducing the influence of patient setup uncertainty on the WEPL calculation results. The WEPL difference averaged over distal area was 2.9 ± 2.9 (mm) across all fractions of six patients and its maximum, mostly found at the last available fraction, was 6.2 ± 3.4 (mm). The MSE-based DIR successfully registered each treatment CBCT image to the planning CT image. On the other hand, the MI-based DIR deformed the skin voxels in the planning CT image to the immobilization mask in the treatment CBCT image, most of which was cropped out of the planning CT image. Conclusion: The dosimetric impact of anatomic changes was evaluated by calculating the distal WEPL difference with the existing scatter-correction algorithm appropriately calibrated. Jihun Kim, Yang-Kyun Park, Gregory Sharp, and Brian Winey have received grant support from the NCI Federal Share of program income earned by Massachusetts General Hospital on C06 CA059267, Proton Therapy Research and Treatment Center.

60 APPLIED LIFE SCIENCES↗

NASA NTRSDate not supplied

Parahydrogen Properties Version 05 Database Release for Nuclear Thermal Propulsion Applications

Consistent modeling assumptions across any large project are crucial to minimize errors between different approaches. Use of consistent material and fluid properties across a large project supports consistent interpretation and application within modeling and simulation results as well as their relevancy to operational systems. NASA’s Space Nuclear Propulsion program dedicates extensive resources towards establishing consistent and, to the extent possible, accurate property databases for its internal staff and all external partners. This work highlights the extensive research performed to modernize the fluid property database of hydrogen which is the leading propellant option for in-space nuclear propelled spacecraft. Specifically, the parahydrogen spin state is of interest since the propellant is stored in a near normal boiling point liquid state which results in it consisting almost entirely of the parahydrogen spin isomer. This database tool has taken recent NASA work and modernized it into a python-based package for easy usage across all modeling entities. The package allows users to provide temperature and pressure pairs along with their desired output properties to yield results accounting for both real-gas and equilibrium dissociation effects while also sharing the default thermodynamic reference state provided by the National Institute of Standards and Technology (NIST) Standard Database 23. The suite also includes advanced capabilities to increase usability, such as on-the-fly interpolation and multidimensional plotting.

Nuclear Thermal Propulsion↗

NASA NTRSDate not supplied

Parahydrogen Properties Version 05 Database Release for NTP Applications

Consistent modeling assumptions across any large project are crucial to minimize errors between different approaches. Use of consistent material and fluid properties across a large project supports consistent interpretation and application within modeling and simulation results as well as their relevancy to operational systems. NASA’s Space Nuclear Propulsion program dedicates extensive resources towards establishing consistent and, to the extent possible, accurate property databases for its internal staff and all external partners. This work highlights the extensive research performed to modernize the fluid property database of hydrogen which is the leading propellant option for in-space nuclear propelled spacecraft. Specifically, the parahydrogen spin state is of interest since the propellant is stored in a near normal boiling point liquid state which results in it consisting almost entirely of the parahydrogen spin isomer. This database tool has taken recent NASA work and modernized it into a python-based package for easy usage across all modeling entities. The package allows users to provide temperature and pressure pairs along with their desired output properties to yield results accounting for both real-gas and equilibrium dissociation effects while also sharing the default thermodynamic reference state provided by the National Institute of Standards and Technology (NIST) Standard Database 23. The suite also includes advanced capabilities to increase usability, such as on-the-fly interpolation and multidimensional plotting.

Nuclear Thermal Propulsion↗

DOE OSTI2023

Efforts to enhance reproducibility in a human performance research project

Background: Ensuring the validity of results from funded programs is a critical concern for agencies that sponsor biological research. In recent years, the open science movement has sought to promote reproducibility by encouraging sharing not only of finished manuscripts but also of data and code supporting their findings. While these innovations have lent support to third-party efforts to replicate calculations underlying key results in the scientific literature, fields of inquiry where privacy considerations or other sensitivities preclude the broad distribution of raw data or analysis may require a more targeted approach to promote the quality of research output. Methods: We describe efforts oriented toward this goal that were implemented in one human performance research program, Measuring Biological Aptitude, organized by the Defense Advanced Research Project Agency's Biological Technologies Office. Our team implemented a four-pronged independent verification and validation (IV&V) strategy including 1) a centralized data storage and exchange platform, 2) quality assurance and quality control (QA/QC) of data collection, 3) test and evaluation of performer models, and 4) an archival software and data repository. Results: Our IV&V plan was carried out with assistance from both the funding agency and participating teams of researchers. QA/QC of data acquisition aided in process improvement and the flagging of experimental errors. Holdout validation set tests provided an independent gauge of model performance. Conclusions: In circumstances that do not support a fully open approach to scientific criticism, standing up independent teams to cross-check and validate the results generated by primary investigators can be an important tool to promote reproducibility of results.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Evaluating pulse-shaping capabilities of next-generation pulsed power architectures

This project evaluated the pulse shaping capabilities of next-generation pulsed power (NGPP) architectures. NGPP architectures share several common attributes including multiple independent pulse-generation lines, a radial water-insulated impedance transformer, and a central vacuum insulated load region. A multi-module circuit model was developed, incorporating independent pulse-generation lines and a 2-D transmission line mesh of the radial impedance transformer to assess the effects of azimuthal asymmetry in pulse-shaped experiments. Circuit model simulations demonstrated that NGPP architectures are able to produce the the desired current pulse shapes for exemplar NGPP experiments. Additionally, the project explored automated methods for experiment design, including derivative -ree optimization and machine learning. Pulse-shaped experiments require designers to determine machine parameters that reliably produce the desired current pulse at the load, a process that typically relies on expert knowledge and iterative adjustments using the Z circuit model. Given the increased complexity of NGPP systems, this manual approach may be impractical. While the evaluated methods do not eliminate the need for manual iteration, they can reduce the time required for experiment design. Derivative-free optimization automates much of the trial-and-error process, providing a close starting point for manual adjustments or making small modifications to near-final designs. Meanwhile, deep neural network methods can generate a good qualitative match to the desired current pulse in under one second without requiring circuit model simulations.

42 ENGINEERING↗

NASA NTRS2019

Space Research Project Management Can Benefit from Engineering Technology Selection Methods

Many engineering methods have been developed to help management select technology for a system design or further research. The simplest way to compare technologies is to use a checklist containing all the more or less important selection criteria, so that nothing is overlooked. The criteria usually include cost, safety, reliability and maintainability, and potential problems such as noise generation and microgravity sensitivity. The next step typically is to weight and score all the criteria. The process of weighting and scoring is helpful in bringing out different priorities and reaching a shared point of view. Group technology selection methods are designed to highlight initial disagreements and produce a shared consensus. Often a frank discussion led by management rather than decision analysts can be more effective. The final selection depends on management and engineering judgment and may include programmatic and organizational factors that are beyond the engineering checklist. The objective of engineering technology selection methods is to provide engineering information to assist management in making sound decisions. Project management and technology selection are assumed to use rational engineering analytic methods, but they often do not. The reason is that human insight, intuition, and “gut feel,” rather than logic, more frequently determine our decisions. Project selection and management are strongly influenced by nonrational psychological influences, which can produce unjustified confidence and determination. Nevertheless, there is a strong need for space projects to do rational project analysis and selection. Demonstrating a rational spirit is necessary for a scientific and technical organization. Professional ethics at its best requires an open, honest, and fair process, without damaging politics. Rational analysis can help improve good projects and avoid selecting bad ones. A sanity check using rational analysis guided by a checklist can help avoid egregious and damaging errors.

Jones, Harry W.↗

DOE OSTI2012

Enhancing Privacy in Participatory Sensing Applications with Multidimensional Data

Participatory sensing applications rely on individuals to share local and personal data with others to produce aggregated models and knowledge. In this setting, privacy is an important consideration, and lack of privacy could discourage widespread adoption of many exciting applications. We present a privacy-preserving participatory sensing scheme for multidimensional data which uses negative surveys. Multidimensional data, such as vectors of attributes that include location and environment fields, pose a particular challenge for privacy protection and are common in participatory sensing applications. When reporting data in a negative survey, an individual participant randomly selects a value from the set complement of the sensed data value, once for each dimension, and returns the negative values to a central collection server. Using algorithms described in this paper, the server can reconstruct the probability density functions of the original distributions of sensed values, without knowing the participants actual data. As a consequence, complicated encryption and key management schemes are avoided, conserving energy. We study trade-offs between accuracy and privacy, and their relationships to the number of dimensions, categories, and participants. We introduce dimensional adjustment, a method that reduces the magnification of error associated with earlier work. Two simulation scenarios illustrate how the approach can protect the privacy of a participant's multidimensional data while allowing useful population information to be aggregated.

Groat, Michael↗

NASA NTRS1995

Effective Transition Management: The Seamless System

In this age of shrinking resources, cost avoidance has become as critical as direct cost savings. There is no doubt that Effective Transition Management (ETM) achieves this aim. What then, is ETM and how does it achieve its goal? It is the introduction and use of a hierarchical decision model and computerized tracking system which successfully integrates capital acquisition into the support base. You will discover that because this proven system is generic, compatible and flexible, its applications are virtually unlimited. It is this highly dynamic process which I would like to share with you. Skilled specialists are now rotated rapidly through acquisition programs on a requirements-driven basis. Managers continue their quest for inefficient areas to trim, slash or cut. However, there is one area of operations in every major corporation and government department that, as yet, has not received the attention it deserves. This essential element is Transition Management. Capital acquisitions, at some point, must be handed off to a support matrix for the 'in-service' phase of their life cycle. Most of us who have been on the receiving end can usually cite outrageous examples of adjustment, recovery or disaster. This means buying what amounts to a second initial sparing package, re-aligning the range and depth of inventory to match a changed maintenance concept, interpreting contractor-developed configuration control data or ensuring that the latest information is contained in the technical publications. This list is endless. For major purchases, this 'in-service' phase is often fifteen, twenty or more years. The least desirable, yet most common condition, is to suffer up to five years of recovering from errors or omissions after the transition to the support matrix occurs. Without ETM, making new equipment fully operational may thus become a long and costly process.

Burke, Marty↗