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DOE OSTI2022

Behavioral Changes for Energy Efficiency: An Exploratory Analysis of the CanBikeCO Mini-Pilot

Behavioral Changes for Energy Efficiency: an exploratory analysis of the CanBikeCO mini-pilot While the results are strongly positive, the small sample size, narrow demographic profile, and limited mobility alternatives for program participants indicate caution in broader interpretation. However, they do provide the tantalizing possibility that such programs can meet equity and sustainability goals simultaneously.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2025

Verification of the Uniformly-Ordered Binary Decision Algorithm in Correlated-Benchmark Whisper Calculations

Whisper is a nuclear criticality safety code package that aids analysts in validation exercises by computing upper subcritical limits (USL) for applications of interest. To obtain statistically meaningful, significant, and conservative USLs, the analyst must ensure that Whisper selects a sufficient number of benchmarks that are neutronically similar to the application. Many of the available benchmarks are correlated but are currently treated as independent, leading to an artificially small sample size, as their individual information contributions will be overestimated. To aid the analyst in obtaining a sufficient sample size, prior work [2] demonstrated application of the Uniformly-Ordered Binary Decision (UOBD) algorithm in adjusting benchmark weights to account for benchmark correlations. This work provides verification of the Whisper implementation and considers the impact of updated benchmark correlations compared to those available previously. We demonstrate that the UOBD algorithm performs as expected with an analytic example. With HEU-SOL-THERM-001 cases 1 through 10 as the applications, we compare the USLs computed with benchmark correlations available in the Whisper 1.1 release only to those computed with additional benchmark correlations from DICE 2023 and demonstrate substantive differences.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2015

A microfluidic platform for precision small-volume sample processing and its use to size separate biological particles with an acoustic microdevice [Precision size separation of biological particles in small-volume samples by an acoustic microfluidic system]

Here, a major advantage of microfluidic devices is the ability to manipulate small sample volumes, thus reducing reagent waste and preserving precious sample. However, to achieve robust sample manipulation it is necessary to address device integration with the macroscale environment. To realize repeatable, sensitive particle separation with microfluidic devices, this protocol presents a complete automated and integrated microfluidic platform that enables precise processing of 0.15–1.5 ml samples using microfluidic devices. Important aspects of this system include modular device layout and robust fixtures resulting in reliable and flexible world to chip connections, and fully-automated fluid handling which accomplishes closed-loop sample collection, system cleaning and priming steps to ensure repeatable operation. Different microfluidic devices can be used interchangeably with this architecture. Here we incorporate an acoustofluidic device, detail its characterization, performance optimization, and demonstrate its use for size-separation of biological samples. By using real-time feedback during separation experiments, sample collection is optimized to conserve and concentrate sample. Although requiring the integration of multiple pieces of equipment, advantages of this architecture include the ability to process unknown samples with no additional system optimization, ease of device replacement, and precise, robust sample processing.

42 ENGINEERING↗

DOE OSTI2020

Learning Spectral Templates for Photometric Redshift Estimation from Broadband Photometry

Estimating redshifts from broadband photometry is often limited by how accurately we can map the colors of galaxies to an underlying spectral template. Current techniques utilize spectrophotometric samples of galaxies or spectra derived from spectral synthesis models. Both of these approaches have their limitations: either the sample sizes are small and often not representative of the diversity of galaxy colors, or the model colors can be biased (often as a function of wavelength), which introduces systematics in the derived redshifts. In this paper, we learn the underlying spectral energy distributions from an ensemble of ∼100 K galaxies with measured redshifts and colors. We show that we are able to reconstruct emission and absorption lines at a significantly higher resolution than the broadband filters used to measure the photometry for a sample of 20 spectral templates. We find that our training algorithm reduces the fraction of outliers in the derived photometric redshifts by up to 28%, bias up to 91%, and scatter up to 25%, when compared to estimates using a standard set of spectral templates. We discuss the current limitations of this approach and its applicability for recovering the underlying properties of galaxies. Our derived templates and the code used to produce these results are publicly available in a dedicated Github repository: https://github.com/dirac-institute/photoz-template-learning.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Validation of Jezebel Reactivity Coefficients and Sensitivity Analysis

Nuclear data validation is often performed today using criticality measurements. The gold standard for criticality measurements is the International Criticality Safety Benchmark Experiment Project (ICSBEP). The validation specifically focuses on the effective multiplication factor ($k_{eff}$). $K_{eff}$ is a relatively easy parameter to infer and has reduced uncertainty due to being at or above critical. However, while $k_{eff}$ is the most documented parameter and its uncertainties and sensitivities have been evaluated in great detail, it cannot be used as a standalone metric to determine inaccuracies in nuclear data (e.g., cross section data, PFNS, nu), which is based on theory, physics, and differential measurements. The Experiments Underpinned by Computational Learning for Improvements in nuclear Data (EUCLID) project aims to identify compensating errors in specific isotope nuclear data by optimally designing experiments that are, or are not sensitive to a suite of measurement parameters beyond $k_{eff}$. By identifying parameters that are sensitive to each other, oppositely sensitive, or have substantial magnitude differences in sensitivity, experiments can be designed to constrain questionable nuclear data. One sensitivity that is of particular interest to this project includes the sensitivity of reactivity coefficients. Reactivity coefficients compare reactivity, which is related to $k_{eff}$ at two different states therefore being sensitive to small changes in the system. The most common type of reactivity coefficient measurements is comparison to void for a small sample within the assembly. It is key that the sample sizes are small enough to not affect the flux of the full system. Reactivity coefficients were evaluated for many early experiments to better understand transport corrected cross sections. In fact, ICSBEP includes reactivity coefficient results as “Supplemental Measurements” in appendices for a handful of older benchmarks. One of those benchmarks is Jezebel, the bare Pu critical assembly. This paper compares new simulations of reactivity coefficients for Jezebel, and explores the sensitivity of reactivity coefficients to small changes in nuclear data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2001

Application of Fe Isotopes to the Search for Life and Habitable Planets

The relatively new field of Fe isotope geochemistry can make important contributions to tracing the geochemical cycling of Fe, which bears on issues such as metabolic processing of Fe, surface redox conditions, and development of planetary atmospheres and biospheres. It appears that Fe isotope fractionation in nature and the lab spans about 4 per mil (%) in Fe-56/Fe-54, and although this range is small, our new analytical methods produce a precision of +/- 0.05% on sample sizes as small as 100 ng (10(exp -7) g); this now provides us with a sufficient "signal-to-noise" ratio to make this isotope system useful. We review our work in three areas: 1) the terrestrial and lunar rock record, 2) experiments on inorganic fractionation, and 3) experiments involving biological processing of Fe. Additional information is contained in the original extended abstract.

Johnson, Clark M.↗

NASA NTRS2013

A Mars Sample Return Sample Handling System

We present a sample handling system, a subsystem of the proposed Dragon landed Mars Sample Return (MSR) mission [1], that can return to Earth orbit a significant mass of frozen Mars samples potentially consisting of: rock cores, subsurface drilled rock and ice cuttings, pebble sized rocks, and soil scoops. The sample collection, storage, retrieval and packaging assumptions and concepts in this study are applicable for the NASA's MPPG MSR mission architecture options [2]. Our study assumes a predecessor rover mission collects samples for return to Earth to address questions on: past life, climate change, water history, age dating, understanding Mars interior evolution [3], and, human safety and in-situ resource utilization. Hence the rover will have "integrated priorities for rock sampling" [3] that cover collection of subaqueous or hydrothermal sediments, low-temperature fluidaltered rocks, unaltered igneous rocks, regolith and atmosphere samples. Samples could include: drilled rock cores, alluvial and fluvial deposits, subsurface ice and soils, clays, sulfates, salts including perchlorates, aeolian deposits, and concretions. Thus samples will have a broad range of bulk densities, and require for Earth based analysis where practical: in-situ characterization, management of degradation such as perchlorate deliquescence and volatile release, and contamination management. We propose to adopt a sample container with a set of cups each with a sample from a specific location. We considered two sample cups sizes: (1) a small cup sized for samples matching those submitted to in-situ characterization instruments, and, (2) a larger cup for 100 mm rock cores [4] and pebble sized rocks, thus providing diverse samples and optimizing the MSR sample mass payload fraction for a given payload volume. We minimize sample degradation by keeping them frozen in the MSR payload sample canister using Peltier chip cooling. The cups are sealed by interference fitted heat activated memory alloy caps [5] if the heating does not affect the sample, or by crimping caps similar to bottle capping. We prefer cap sealing surfaces be external to the cup rim to prevent sample dust inside the cups interfering with sealing, or, contamination of the sample by Teflon seal elements (if adopted). Finally the sample collection rover, or a Fetch rover, selects cups with best choice samples and loads them into a sample tray, before delivering it to the Earth Return Vehicle (ERV) in the MSR Dragon capsule as described in [1] (Fig 1). This ensures best use of the MSR payload mass allowance. A 3 meter long jointed robot arm is extended from the Dragon capsule's crew hatch, retrieves the sample tray and inserts it into the sample canister payload located on the ERV stage. The robot arm has capacity to obtain grab samples in the event of a rover failure. The sample canister has a robot arm capture casting to enable capture by crewed or robot spacecraft when it returns to Earth orbit

Wilson, David↗

DOE OSTI2018

Multiparameter Methods are the New Field in Statistics

During the last decade statistical problems of a new kind have appeared more and more often, in which the dimensionality of observations is large, and the sample size is small or comparable with the dimensionality of observations. These problems may be characterized as multiparameter problems. The theory of multiparameter analysis, proposed by A.N.Kolmogorov and supported by the studies on the spectral theory of random matrices of V. A.Marchenko, L. A.Pastur, V. L.Girko, and others, revealed some specific phenomena appearing in statistics with a large number of weakly dependent variables. Particularly, there are stable relations between the principal parts of parameter set functions and the set of observed variables, which may be used to improve the statistical analysis. The use of these phenomena allows one to develop a thorough, always stable, and approximately optimal (irrespective of samples) versions of mostly used statistical procedures. The multiparameter versions of the discriminant analysis are of special interest.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Ataxia Telangiectasia–Mutated Gene Polymorphisms and Acute Normal Tissue Injuries in Cancer Patients After Radiation Therapy: A Systematic Review and Meta-analysis

Purpose: Studies of the association between ataxia telangiectasia–mutated (ATM) gene polymorphisms and acute radiation injuries are often small in sample size, and the results are inconsistent. We conducted the first meta-analysis to provide a systematic review of published findings. Methods and Materials: Publications were identified by searching PubMed up to April 25, 2014. Primary meta-analysis was performed for all acute radiation injuries, and subgroup meta-analyses were based on clinical endpoint. The influence of sample size and radiation injury incidence on genetic effects was estimated in sensitivity analyses. Power calculations were also conducted. Results: The meta-analysis was conducted on the ATM polymorphism rs1801516, including 5 studies with 1588 participants. For all studies, the cut-off for differentiating cases from controls was grade 2 acute radiation injuries. The primary meta-analysis showed a significant association with overall acute radiation injuries (allelic model: odds ratio = 1.33, 95% confidence interval: 1.04-1.71). Subgroup analyses detected an association between the rs1801516 polymorphism and a significant increase in urinary and lower gastrointestinal injuries and an increase in skin injury that was not statistically significant. There was no between-study heterogeneity in any meta-analyses. In the sensitivity analyses, small studies did not show larger effects than large studies. In addition, studies with high incidence of acute radiation injuries showed larger effects than studies with low incidence. Power calculations revealed that the statistical power of the primary meta-analysis was borderline, whereas there was adequate power for the subgroup analysis of studies with high incidence of acute radiation injuries. Conclusions: Our meta-analysis showed a consistency of the results from the overall and subgroup analyses. We also showed that the genetic effect of the rs1801516 polymorphism on acute radiation injuries was dependent on the incidence of the injury. These support the evidence of an association between the rs1801516 polymorphism and acute radiation injuries, encouraging further research of this topic.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2017

A Taylor Expansion-Based Adaptive Design Strategy for Global Surrogate Modeling With Applications in Groundwater Modeling

Global sensitivity analysis (GSA) and uncertainty quantification (UQ) for groundwater modeling are challenging because of the model complexity and significant computational requirements. To reduce the massive computational cost, a cheap-to-evaluate surrogate model is usually constructed to approximate and replace the expensive groundwater models in the GSA and UQ. Constructing an accurate surrogate requires actual model simulations on a number of parameter samples. Thus, a robust experimental design strategy is desired to locate informative samples so as to reduce the computational cost in surrogate construction and consequently to improve the efficiency in the GSA and UQ. In this study, we develop a Taylor expansion-based adaptive design (TEAD) that aims to build an accurate global surrogate model with a small training sample size. TEAD defines a novel hybrid score function to search informative samples, and a robust stopping criterion to terminate the sample search that guarantees the resulted approximation errors satisfy the desired accuracy. The good performance of TEAD in building global surrogate models is demonstrated in seven analytical functions with different dimensionality and complexity in comparison to two widely used experimental design methods. The application of the TEAD-based surrogate method in two groundwater models shows that the TEAD design can effectively improve the computational efficiency of GSA and UQ for groundwater modeling.

58 GEOSCIENCES↗

DOE OSTI2015

Accessible or Inaccessible? Diagnostic Efficacy of CT-Guided Core Biopsies of Head and Neck Masses

PurposeTissue sampling of lesions in the head and neck is challenging due to complex regional anatomy and sometimes necessitates open surgical biopsy. However, many patients are poor surgical candidates due to comorbidity. Thus, we evaluated the use of CT guidance for establishing histopathological diagnosis of head and neck masses.MethodsAll consecutive patients (n = 22) who underwent CT-guided core biopsy of head or neck masses between April 2009 and August 2012 were retrospectively reviewed using the departmental CT interventional procedures database. The indication for each biopsy performed was to establish or exclude a diagnosis of neoplasia in patients with suspicious head or neck lesions found on clinical examination or imaging studies. Patients received conscious sedation and 18 G, semiautomated core needle biopsies were performed by experienced neuroradiologists using 16-slice multidetector row CT imaging guidance (Somatom Definition Siemens Medical Solutions, Germany). Histopathology results of each biopsy were analysed.ResultsSixteen of 22 biopsies that were performed (73 %) yielded a pathological diagnosis. Anatomic locations biopsied included: masticator (n = 7), parapharyngeal (n = 3), parotid (n = 3), carotid (n = 3), perivertebral (n = 3), pharyngeal (n = 2), and retropharyngeal (n = 1) spaces. Six biopsies (27 %) were nondiagnostic due to inadequate tissue sampling, particularly small biopsy sample size and failure to biopsy the true sampling site due to extensive necrosis. No major complications were encountered.ConclusionsThe use of CT guidance to perform core biopsies of head and neck masses is an effective means of establishing histopathological diagnosis and reduces the need for diagnostic open surgical biopsy and general anaesthesia.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2018

Optimized Electromagnetic Fields Levitate Bulk Metallic Materials

The bulk metallic electromagnetic levitation technique has a promising application prospect in condensed physics and materials science. In order to resolve the problem of weak levitation force and the small size of samples, an optimized solution based on finite element analysis (FEA) is developed to seek the best electromagnetic field distribution in the levitation zone. The influence of material properties on the distribution of magnetic flux density, surface pressure, and the Lorentz force were studied by the FEA method with various sample sizes of titanium and copper balls. The levitation capability of cylindrical coil system which consists of a single-layer coil with an inner diameter of 30 mm and the levitated object with a diameter of 20 mm was analyzed. To keep a balance between the turn number and increment efficiency of force, the best number of 7 turns is confirmed. Then, two types of optimized coils were predicted by numerical simulations, and the levitation force is improved drastically. The double-layer coil displays an outstanding levitation capability owing to the strong electromagnetic field generated by multilayer turns. In addition, 5 to 50 g aluminum, titanium, copper, and nickel are levitated by the above three kinds of coils and the levitation capacities are validated from the recorded data of the minimum operating current that can levitate the samples. The experimental results show good agreements with the simulation results, and the minimum current for optimized coils is reduced efficiently.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Phase Concentration Determination of Fe 16 N 2 Using State of the Art Neutron Scattering Techniques

Limitation on the availability of rare earth elements have made it imperative that new high energy product rare earth free permanent magnet materials are developed for the next generation of energy systems. One promising low cost permanent magnet candidate for a high energy magnet is -Fe 16 N 2 , whose giant magnetic moment has been predicted to be well above any other from conventional first principles calculations. Despite its great promise, the phase is metastable; making synthesis of the pure phase difficult, resulting in less than ideal magnetic characteristics. This instability gives way to a slew of possible secondary phases (i.e. -Fe, Fe 2 O 3 , Fe 8 N, Fe 4 N ) whose concentrations are difficult to detect by conventional x-ray diffraction. Moreover, we show how high resolution neutron diffraction and polarized neutron reflectometry can be used to extract the phase concentration ratio of the giant magnetic phase from ultra-small powder sample sizes (~0.1g) and thin films. These studies have led to the discovery of promising fabrication methods for both homogeneous thin films, and nanopowders containing the highest reported to date (>95%) phase concentrations of room temperature stable -Fe 16 N 2 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

A Binomial Stochastic Framework for Efficiently Modeling Discrete Statistics of Convective Populations

Abstract Understanding the coupling between convective clouds and the general circulation, as well as addressing the gray zone problem in convective parameterization, requires insight into the genesis and maintenance of spatial patterns in cumulus cloud populations. In this study, a simple toy model for recreating populations of interacting convective objects as distributed over a two‐dimensional Eulerian grid is formulated to this purpose. Key elements at the foundation of the model include i) a fully discrete formulation for capturing discrete behavior in convective properties at small population sample sizes, ii) object age‐dependence for representing life‐cycle effects, and iii) a prognostic number budget allowing for object interactions and co‐existence of multiple species. A primary goal is to optimize the computational efficiency of this system. To this purpose the object birth rate is represented stochastically through a spatially aware Bernoulli process. The same binomial stochastic operator is applied to horizontal advection of objects, conserving discreteness in object number. The applicability to atmospheric convection as well as behavior implied by the formulation is assessed. Various simple applications of the BiOMi model (Binomial Objects on Microgrids) are explored, suggesting that important convective behavior can be captured at low computational cost. This includes i) subsampling effects and associated powerlaw scaling in the convective gray zone, ii) stochastic predator‐prey behavior, iii) the downscale turbulent energy cascade, and iv) simple forms of spatial organization and convective memory. Consequences and opportunities for convective parameterization in next‐generation weather and climate models are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Atomic picture of elastic deformation in a metallic glass

The tensile behavior of a Ni₆₀Nb₄₀ metallic glass (MG) has been studied by using ab initio density functional theory (DFT) calculation with a large cell containing 1024 atoms (614 Ni and 410 Nb). We provide insight into how a super elastic limit can be achieved in a MG. Spatially inhomogeneous responses of single atoms and also major polyhedra are found to change greatly with increasing external stress when the strain is over 2%, causing the intrinsically viscoelastic behavior. We uncover the origin of the observed super elastic strain limit under tension (including linear and viscoelastic strains) in small-sized MG samples, mainly caused by inhomogeneous distribution of excess volumes in the form of newly formed subatomic cavities.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Disentangling ferroelectric domain wall geometries and pathways in dynamic piezoresponse force microscopy via unsupervised machine learning

In this work, domain switching pathways in ferroelectric materials visualized by dynamic piezoresponse force microscopy (PFM) are explored via variational autoencoder, which simplifies the elements of the observed domain structure, crucially allowing for rotational invariance, thereby reducing the variability of local polarization distributions to a small number of latent variables. For small sampling window sizes the latent space is degenerate, and variability is observed only in the direction of a single latent variable that can be identified with the presence of domain wall. For larger window sizes, the latent space is 2D, and the disentangled latent variables can be generally interpreted as the degree of switching and complexity of domain structure. Applied to multiple consecutive PFM images acquired while monitoring domain switching, the polarization switching mechanism can thus be visualized in the latent space, providing insight into domain evolution mechanisms and their correlation with the microstructure.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2023

Quasar UV/X-ray relation luminosity distances are shorter than reverberation-measured radius–luminosity relation luminosity distances

ABSTRACT We use measurements of 59/58 quasars (QSOs), over a redshift range 0.0041 ≤ z ≤ 1.686, to do a comparative study of the radius–luminosity (R − L) and X-ray−UV luminosity (LX − LUV) relations and the implication of these relations for cosmological parameter estimation. By simultaneously determining R − L or LX − LUV relation parameters and cosmological parameters in six different cosmological models, we find that both R − L and LX − LUV relations are standardizable but provide only weak cosmological parameter constraints, with LX − LUV relation data favouring larger current non-relativistic matter density parameter Ωm0 values than R − L relation data and most other available data. We derive LX − LUV and R − L luminosity distances for each of the sources in the six cosmological models and find that LX − LUV relation luminosity distances are shorter than R − L relation luminosity distances as well as standard flat ΛCDM model luminosity distances. This explains why LX − LUV relation QSO data favour larger Ωm0 values than do R − L relation QSO data or most other cosmological measurements. While our sample size is small and only spans a small z range, these results indicate that more work is needed to determine whether the LX − LUV relation can be used as a cosmological probe.

Astronomy & Astrophysics↗

DOE OSTI2015

SU-E-P-52: Dose-Volume Toxicity Analysis of Stereotactic Body Radiation Therapy for Hepatocellular Carcinoma

Purpose: To investigate the relationship between physical and biological effective dose (BED) to liver toxicity for SBRT fractionations. Methods: A total of 16 patients (13–10×3Gy, 2–5×10Gy and 1–3×15Gy were selected. Physical dose distributions were converted to voxel based BED values using the linear-quadratic (LQ) and linear-quadratic linear (LQ-L) models for doses per fraction larger than 6Gy. Patients were graded for effective toxicity (post-treatment minus pre-treatment grades) using the RTOG Late Radiation Morbidity Scoring Schema associated with Radiation Induced Liver Disease (RILD). Evaluated physical dose-volume levels consisted of V10Gy, V15Gy, V20Gy, V25Gy and V30Gy which were then converted to BED values corresponding to V16.7Gy3, V30Gy3, V46.7Gy3, V66.7Gy3 and V90Gy3, respectively. All levels were normalized to their respective patient normal liver volumes (NLV) and evaluated for correlation to RILD. Results were measured quantitatively using R-squared regression analysis. Results: Mean Dose Tolerable to Normal Liver (MDTNL) against RILD grade resulted in an R-squared value of 0.0104. NLV-normalized physical dose linear regression fit of V10Gy, V15Gy, V20Gy, V25Gy and V30Gy against RILD yielded R-squared values of 0.1041, 0.0895, 0.0698, 0.0398 and 0.0009 while BED levels of V16.7Gy3, V30Gy3, V46.7Gy3, V66.7Gy3 and V90Gy3 resulted in values of 0.0002, 0.0153, 0.0533, 0.0427 and 0.0072, respectively. The average NLV-normalized V10Gy, V15Gy, V20Gy, V25Gy and V30Gy per grade plotted against RILD grade yielded R-squared correlations of 0.8092, 0.6362, 0.5899, 0.5846 and 0.0224 while the BED levels of V16.7Gy3, V30Gy3, V46.7Gy3, V66.7Gy3 and V90Gy3 resulted in R-squared correlations of 0.0003, 0.3831, 0.8476, 0.678 and 0.076, respectively. Conclusion: Regression analysis between physical dose, BED and RILD showed strong correlation for the V30Gy and V46.7Gy3 dose-levels. Average BED and physical dose per grade both exhibit strong correlations to RILD however, a lack of statistical significance exists due to small patient sample size.

60 APPLIED LIFE SCIENCES↗