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NASA NTRS2022

Snow Microphysical Retrieval from the NASA D3R Radar During ICE-POP 2018

A method is developed to use both polarimetric and dual-frequency radar measurements to retrieve microphysical properties of falling snow. It is applied to the Ku- and Ka-band measurements of the NASA dual-polarization, dual-frequency Doppler radar (D3R) obtained during the International Collaborative Experiments for PyeongChang 2018 Olympic and Paralympic winter games (ICE-POP 2018) field campaign and incorporates the Atmospheric Radiative Transfer Simulator (ARTS) microwave singles cattering property database for oriented particles. The retrieval uses optimal estimation to solve for several parameters that describe the particle size distribution (PSD), relative contribution of pristine, aggregate, and rimed ice species, and the orientation distribution along an entire radial simultaneously. Examination of Jacobian matrices and averaging kernels shows that the dual-wavelength ratio (DWR) measurements provide information regarding the characteristic particle size, and to a lesser extent, the rime fraction and shape parameter of the size distribution, whereas the polarimetric measurements provide information regarding the mass fraction of pristine particles and their characteristic size and orientation distribution. Thus, by combining the dual-frequency and polarimetric measurements, some ambiguities can be resolved that should allow a better determination of the PSD and bulk microphysical properties (e.g., snowfall rate) than can be retrieved from single-frequency polarimetric measurements or dual-frequency, single-polarization measurements. The D3R ICE-POP retrievals were validated using Precipitation Imaging Package (PIP) and Pluvio weighing gauge measurements taken nearby at the May Hills ground site. The PIP measures the snow PSD directly, and its measurements can be used to derived the snowfall rate (volumetric and water equivalent), mean volume-weighted particle size, and effective density, as well as particle aspect ratio and orientation. Four retrieval experiments were performed to evaluate the utility of different measurement combinations: Kuonly, DWR-only, Ku-pol, and All-obs. In terms of correlation, the volumetric snowfall rate (r D 0:95) and snow water equivalent rate (r D 0:92) were best retrieved by the Ku-pol method, while the DWR-only method had the lowest magnitude bias for these parameters (-31% and -8 %, respectively). The methods that incorporated DWR also had the best correlation to particle size (r D 0:74 and r D 0:71 for DWR-only and All-obs, respectively), although none of the methods retrieved density particularly well (r D 0:43 for Allobs). The ability of the measurements to retrieve mean aspect ratio was also inconclusive, although the polarimetric methods (Ku-pol and All-obs) had reduced biases and mean absolute error (MAE) relative to the Ku-only and DWR-only methods. The significant biases in particle size and snowfall rate appeared to be related to biases in the measured DWR, emphasizing the need for accurate DWR measurements and frequent calibration in future D3R deployments.

S Joseph Munchak↗
DOE OSTI2018

Carbon dioxide Angiography-Guided Renal-Related Interventions in Patients with Takayasu Arteritis and Renal Insufficiency

BackgroundUse of iodinated contrast agents for angiography in patients with renal insufficiency risks further deterioration of renal function and its adverse sequelae.ObjectiveTo study the effectiveness and safety of carbon dioxide (CO{sub 2}) angiography in guiding percutaneous renal-related interventions in patients with Takayasu arteritis and renal insufficiency.MethodsData on CO{sub 2} angiography-guided interventions were obtained from a 23-year database of 692 Takayasu arteritis patients who underwent percutaneous interventions and were analyzed retrospectively. Follow-up data were also obtained. The CO{sub 2} angiography system used was developed in-house and was pressure-driven.ResultsSeven patients (6 female, age 16–59 years, baseline serum creatinine 1.62–4.55 mg/dl, estimated glomerular filtration rate 12.2–36.9 ml/min/1.73 m{sup 2}) underwent CO{sub 2} angiography-guided interventions: five underwent angioplasty or stenting to treat six stenotic/occluded renal arteries, one underwent extensive endovascular repair for spontaneous focal abdominal aortic dissection with false lumen aneurysm and aorto-iliac true lumen narrowing, and one underwent balloon dilatation of previously deployed aortic stents used to treat aortic occlusion at two levels. Follow-up (median 5 years, range 2 months–16 years) was obtained in all patients. All the procedures were successful and resulted in relief of symptoms, better blood pressure control, improvement in left ventricular systolic function and recovery or stabilization of renal function. There were no early or late complications related to CO{sub 2} angiography. Three renal lesions that had restenosis at follow-up were managed successfully by repeat intervention.ConclusionCO{sub 2} angiography-guided renal-related interventions are effective and safe in patients with Takayasu arteritis and renal insufficiency; they significantly improve the care of such patients.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRSDate not supplied

Independent Technical Assessment of NASA and External Quantum Sensing Capability

The recent FY 2020 federal Research and Development Budget Priorities memo addresses the leadership need in Quantum Information Science (QIS) directing agencies to “prioritize QIS research and development (R&D), which will build the technical and scientific base necessary to explore the next generation of QIS theory, devices, and applications.” Quantum Sensing (QS) is an integral part of QIS. NASA is a key part of the directive to forward American space exploration and commercialization by providing “capabilities that have broad potential applications in space and on Earth.” QS provides an arena for NASA to demonstrate leadership in both areas of the administrative directive. QS uses quantum properties to achieve unprecedented measurement sensitivity and performance, including quantum-enhanced methodologies that outperform their classical counterparts. Typical quantum sensors exploit techniques such as atomic systems, matter waves, quantum entanglement, quantum superposition of states, quantum illumination methods, and manipulation of photons and atoms, in general. Guided by advancements in our ability to generate, manipulate, and control quantum systems, the emerging quantum sensing technologies promise unrivalled sensitivity, resolution, and precision, potentially leading to game-changing applications. Significant gains include technologies important for a range of NASA missions such as remote sensing, in situ measurements, metrology, interferometry, quantum communication, ranging, imaging, radar and lidar receivers, and gravity measurements. NASA Engineering and Safety Center has convened an independent external panel, comprising of Quantum Sensing Experts from Government, DoD, academia, and Federally funded Research and Development Center to conduct an independent technical assessment of the agency's capabilities in Quantum Sensing to understand NASA's internal needs and competencies related to Quantum Sensing and compare agency capabilities with those available externally including industry, academia, and other government agencies. The outcomes of the assessment will help the agency in establishing appropriate strategies and investments to develop and maintain the state-of-the-art sensing competence and capabilities required to meet the agency’s future needs. The External Experts Panel (EEP) is collaborating with HQ, various NASA Center and the representatives in the NASA Quantum Sensing Community of Practice (QS CoP), a part of NASA Sensors and Instrumentation Technical Fellow Technical Discipline Team, in obtaining common, current understanding of agency mission needs where QS can be an important enabler for future needs, and any programs, projects, assets, and technologists working in QS. The EEP organized a Quantum Sensing Workshop of practitioners from industry, academia, other government agencies, external experts, and interested NASA personnel to gather the assessment information. EEP also conducted information gathering on the industry at large, educational institutions, and other government agency research efforts for capture in the assessment database. At the conclusion of this assessment, EEP team will develop findings and conclusions describing NASA’s capabilities for the mission needs, NASA's relative position on new, enabling technologies, and an analysis of the gaps that may present any risks to near-term or far-term mission needs. This presentation will give details of the NASA and External Quantum Sensing Assessment outcomes, findings, observations, and its recommendation to NASA as how it can advance Quantum Sensing technologies and techniques for its science and explorations related missions.

External Quantum Sensing Capability↗
DOE OSTI2012

Evolution of the U.S. Energy Service Company Industry: Market Size and Project Performance from 1990-2008

The U.S. energy service company (ESCO) industry is an example of a private sector business model where energy savings are delivered to customers primarily through the use of performance-based contracts. This study was conceived as a snapshot of the ESCO industry prior to the economic slowdown and the introduction of federal stimulus funding mandated by enactment of the American Recovery and Reinvestment Act of 2009 (ARRA). This study utilizes two parallel analytic approaches to characterize ESCO industry and market trends in the U.S.: (1) a “top-down” approach involving a survey of individual ESCOs to estimate aggregate industry activity and (2) a “bottom-up” analysis of a database of -3,265 projects (representing over $8B in project investment) that reports market trends including installed EE retrofit strategies, project installation costs and savings, project payback times, and benefit-cost ratios over time. Despite the onset of an economic recession, the U.S. ESCO industry managed to grow at about 7% per year between 2006 and 2008. ESCO industry revenues are relatively small compared to total U.S. energy expenditures (about $4.1 billion in 2008), but ESCOs anticipated accelerated growth through 2011 (25% per year). We found that 2,484 ESCO projects in our database generated -$4.0 billion ($2009) in net, direct economic benefits to their customers. We estimate that the ESCO project database includes about 20% of all U.S. ESCO market activity from 1990-2008. Assuming the net benefits per project are comparable for ESCO projects that are not included in the LBNL database, this would suggest that the ESCO industry has generated -$23 billion in net direct economic benefits for customers at projects installed between 1990 and 2008. We found that nearly 85% of all public and institutional projects met or exceeded the guaranteed level of savings. We estimated that a typical ESCO project generated $1.5 dollars of direct benefits for every dollar of customer investment. There is empirical evidence confirming that the industry is responding to customer demand by installing more comprehensive and complex measures—including onsite generation and measures to address deferred maintenance—but this evolution has significant implications for customer project economics, especially at K-12 schools. We found that the median simple payback time has increased from 1.9 to 3.2 years in private sector projects since the early-to-mid 1990s and from 5.2 to 10.5 years in public sector projects for the same time period.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Modeling the viscoplastic behavior of a semicrystalline polymer

In this study, a complex constitutive relation is identified using inverse modeling with the nominal mechanical response as sole experimental input. The methodology is illustrated for a semicrystalline thermoplastic in the presence of strain localization at finite deformations. The experimental database includes cylindrical tensile bars, compression pins and round notched bars loaded at strain rates spanning up to five decades and temperatures below and above T g . The data is organized into a calibration set and a validation set. The response of tensile specimens is determined using finite element analyses and a two-phase constitutive relation for semicrystalline polymers that accounts for temperature- and rate-sensitive plastic flow, pressure-sensitivity, small-strain softening and large-strain orientational hardening of the amorphous phase, along with the evolution of crystallinity. The large number of constitutive parameters is identified using an optimization tool coupled with the finite element solver and the calibration set from experiments. The methodology is shown to be successful in predicting the response of round notched bars and replicating the effects of temperature and strain rate on the severity of necking in tensile bars. The proposed model identification strategy is both simple and effective in comparison with other elaborate methods that attempt to access intrinsic behavior directly from high-fidelity experimental measurements.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Observation of Hydrological Processes Using Remote Sensing: Volume 2: The Science of Hydrology - Chapter 2.14

Improving water management can make a significant contribution to achieving most of the Millennium Development Goals established by the UN General Assembly in 2000, especially those related to poverty, hunger, and major diseases. The World Summit on Sustainable Development (WSSD) in 2002 recognized this need. Water and sanitation in particular received great attention from the Summit. The Johannesburg Plan of Implementation recommended to improve water resources management and scientific understanding of the water cycle through joint cooperation and research. For this purpose, it is recommended to promote knowledge sharing, provide capacity building, and facilitate the transfer of technology including remote-sensing (RS) and satellite technologies, especially to developing countries and countries with economies in transition, and to support these countries in their efforts to monitor and assess the quantity and quality of water resources, for example, by establishing and/or further developing national monitoring networks and water resources databases and by developing relevant national indicators. The Johannesburg Plan also adopted integrated water resources management as the overarching concept in addressing and solving water-related issues. As a result of the commitments made in the Johannesburg Plan of Implementation, several global and regional initiatives have emerged. Current international initiatives such as the Global Monitoring for Environment and Security (GMES) program of the European Commission and the European Space Agency (ESA), and the Global Earth Observation System of Systems (GEOSS) 10-Year Implementation Plan, have all identified Earth observation (EO) of the water cycle as the key in helping to solve the world s water problems. The availability of spatial information on water quantity and quality will also enable closure of the water budget at river basin and continental scales to the point where effective water management is essential (e.g., as requested by the European Union s Water Framework Directive (WFD), as well as national policies). Geo-information science and EO are vital in achieving a better understanding of the water cycle and better monitoring, analysis, prediction, and management of the world s water resources. The major components of the water cycle of the Earth system and their possible observations are presented. Such observations are essential to understand the global water cycle and its variability, both spatially and temporally, and can only be achieved consistently by means of EOs. Additionally, such observations are essential to advance our understanding of coupling between the terrestrial, atmospheric, and oceanic branches of the water cycle, and how this coupling may influence climate variability and predictability. Water resources management directly interferes with the natural water cycle in the forms of building dams, reservoirs, water transfer systems, and irrigation systems that divert and redistribute part of the water storages and fluxes on land. The water cycle is mainly driven and coupled to the energy cycle in terms of phase changes of water (changes among liquid, water vapor, and solid phases) and transport of water by winds in addition to gravity and diffusion processes. The water-cycle components can be observed with in situ sensors as well as airborne and satellite sensors in terms of radiative quantities. Processing and conversion of these radiative signals are necessary to retrieve the water-cycle components.

Wilder, Peter↗
DOE OSTI2022

SERDP PFAS Database

The PNNL-PFAS database was constructed to provide quantitative infrared spectra of per- and polyfluoroalkyl substances (PFAS) in the gas phase. These fluorine-rich, organic compounds have been used as non-flammable solvents, cleaning agents, and in the manufacture of a diverse variety of consumer products. Due to their widespread use and relative inertness, PFAS have accumulated in the natural environment, and exposure to these chemicals may be linked to harmful health effects. Development of methods for detecting and remediating PFAS contamination are thus active areas of research. This database supports PFAS investigations where gas-phase infrared signatures may be measured (e.g., during treatment by thermal decomposition). The database currently contains infrared spectra for 15 compounds; these were selected based on the potential of these compounds being thermal degradation products of the manufactured chemicals mentioned above. • Additional compounds will be added to the database in the future. • Additional information about the database may be obtained from [link to future paper about the PFAS database].

PFAS, infrared(IR)spectroscopy, DATABASE, FTIR, sp↗
DOE OSTI2019

Infections in patients using ventricular-assist devices: Comparison of the diagnostic performance of {sup 18}F-FDG PET/CT scan and leucocyte-labeled scintigraphy

Background: The usage of left-ventricular-assist device (LVAD) is increasing in patients presenting with advanced heart failure. However, device-related infections are a challenge to recognize and to treat, with an important morbidity and mortality rate. The role of nuclear medicine imaging remains not well established for LVAD infections. The present study compared the accuracy of positron emission tomography/computed tomography with {sup 18}F-fludeoxyglucose ({sup 18}F-FDG PET/CT) and radiolabeled leucocyte scintigraphy for the diagnosis of infections in patients supported with a continuous-flow LVAD. Methods: From a prospectively maintained database, we retrospectively analyzed the diagnostic performance of radiolabeled leucocyte scintigraphy and {sup 18}F-FDG PET/CT in 24 patients who had a LVAD with a suspected device-related infection. Both examinations were routinely performed in all patients. Infection was assessed by the International Society for Heart and Lung Transplantation criteria. Results: Twenty-four patients were included: 15 had a specific VAD infection (5 cardiac-LVAD and 10 driveline), 6 had a VAD-related infection, while 3 patients had a non-VAD-related infection. Sensitivity, specificity, positive predictive value, negative predictive value, and accuracy were 95.2%, 66.7%, 95.2%, 66.7%, and 91.6%, respectively, for {sup 18}F-FDG-PET; and 71.4%, 100%, 100%, 33.3%, and 75%, respectively, for leucocyte scintigraphy. {sup 18}F-FDG PET/CT showed significantly higher sensitivity (P = 0.01) than leucocyte scintigraphy. Conclusion: {sup 18}F-FDG PET/CT and radiolabeled leucocyte scintigraphy single-photon emission computed tomography carry high performance in the diagnostic of LVAD infections. {sup 18}F-FDG PET/CT shows significantly higher sensitivity and could be proposed as first-line nuclear medicine procedure. [French] French Abstract: Contexte: L’utilisation du dispositif d’assistance ventriculaire gauche (DAVG) est en utilisation croissante chez les patients avec insuffisance cardiaque avancée. Cependant, les infections liées au dispositif sont un défi à reconnaître et à traiter en raison d’ un taux de morbidité et de mortalité important. Le rôle de l’imagerie de médecine nucléaire n’est pas encore bien établi pour les infections secondaires au DAVG. La présente étude compare la précision de la tomographie par émission de positrons / tomodensitométrie au 18F-fluorodéoxyglucose (18F-FDG TEP/TDM) et la scintigraphie leucocytaire radio-marquée pour le diagnostic d’infections chez des patients porteurs par un DAVG à flux continu. Méthodes: A partir d’une base de données complétée de manière prospective nous avons analysé rétrospectivement les performances diagnostiques de la scintigraphie leucocytaire radio-marquée et de la TEP / TDM au 18F-FDG chez 24 patients ayant un DAVG avec une infection suspectée liée à l’appareillage. Les deux types d’examens scintigraphiques ont été systématiquement réalisé chez tous les patients. Le diagnostic d’infection fut établi selon les critères ISHLT. Résultats: Parmi les 24 patients inclus, 15 avaient une infection spécifique de l’appareillage AVG (5 au niveau de la pompe et/ou canule d’insertion myocardique) et 10 au niveau du driveline, 6 avaient une infection indirectement liée à l’appareillage AVG, tandis que 3 patients avaient une infection non liée au DAVG. La sensibilité, la spécificité, la valeur prédictive positive, la valeur prédictive négative et la précision étaient de 95,2%, 66,7%, 95,2%, 66,7% et 91,6%, respectivement, pour le 18F-FDG-PET et 71,4%, 100%, 100%, 33,3 %, et 75%, respectivement, pour la scintigraphie leucocytaire. La TEP / TDM au 18F-FDG a montré une sensitivité significativement plus élevée (p = 0,01) que la scintigraphie leucocytaire. Conclusion: 18F-FDG TEP/TDM et scintigraphie leucocytaire radio-marquée SPECT s’avèrent très efficaces pour le diagnostic des infections à DVAG. La TEP/TDM au 18F-FDG montre une sensibilité significativement plus élevée et pourrait être proposée en tant que la procédure de médecine nucléaire de premier choix. [Spanish] Spanish Abstract: Antecedentes: El uso de dispositivos de asistencia ventricular izquierda (DAVI) está incrementando en pacientes con insuficiencia cardiaca avanzada. Sin embargo, las infecciones relacionadas al dispositivo representan un reto diagnóstico y de tratamiento, con una importante tasa de morbilidad y mortalidad. El papel de los estudios de imagen de medicina nuclear en las infecciones de DAVI no se ha establecido claramente. El presente estudio comparó la precisión de la tomografía por emisión de positrones/tomografía computada con {sup 18}F-fluorodesoxiglucosa ({sup 18}F-FDG PET/CT) y la gammagrafía con leucocitos marcados para el diagnóstico de infecciones en pacientes utilizando un DAVI de flujo continuo. Métodos: Desde una base de datos obtenida de manera prospectiva, analizamos de manera retrospectiva el rendimiento diagnóstico de la gammagrafía de leucocitos marcados y del {sup 18}F-FDG PET/CT en 24 pacientes quienes tenían un DAVI con sospecha de infección relacionada al dispositivo. Ambos estudios fueron realizados rutinariamente en todos los pacientes. Se determinó la presencia de infección mediante los criterios de la ISHTL. Resultados: Se incluyeron veinticuatro pacientes, de los cuales 15 tuvieron una infección específica de DAV (5 con infecciones DAVI, y 10 con infección del driveline), 6 tuvieron una infección relacionada al DAV, y 3 pacientes tuvieron una infección no relacionada al DAV. La sensibilidad, especificidad, valor predictivo positivo, valor predictivo negativo y precisión diagnóstica fueron 95.2%, 66.7%, 95.2%, 66.7% y 91.6%, respectivamente para {sup 18}F-FDG PET/CT, y 71.4%, 100%, 100%, 33.3% y 75%, respectivamente para la gammagrafía de leucocitos marcados. El {sup 18}F-FDG PET/CT mostró una significativa mayor sensibilidad (p=0.01) que la gammagrafía con leucocitos marcados. Conclusión: El {sup 18}F-FDG PET/CT y la gammagrafía de leucocitos marcados tienen un alto desempeño en el diagnóstico de infecciones de DAVI. El {sup 18}F-FDG PET/CT muestra una significativa mayor sensibilidad y podría ser propuesto como el procedimiento de medicina nuclear de primera línea. [Chinese] Chinese Abstract: 背景: 左心室辅助装置 (LVAD) 越来越多的应用于重度心力衰竭患者。然而, 设备相关的感染有着重要的发病率和死亡率, 并且对其诊断和治疗均是一项挑战。对于 LVAD 相关感染, 核医学影像可扮演的角色一直没有完善。本研究针对装备有连续流式 LVAD 的感染病人,对比了 {sup 18}F-FDG PET/CT 造影术和放射性标记白细胞闪烁扫描法对感染诊断的准确性。 方法: 从一个前瞻性的数据库, 入选了24名疑似设备感染的 LVAD 病人, 并回顾性的分析了放射性标记白细胞闪烁扫描法和 {sup 18}F-FDG PET/CT 的诊断表现。所有病人都常规进行了上述两种检查。利用 ISHLT 标准对感染情况进行评估。 结果: 在入选的 24 名病人中, 15 名有明确的 VAD 感染 (5 名心脏的 LVAD 和 10 名动力传动系统装置), 6 名有 VAD 相关的感染,另外3名有 VAD 无关的感染。对于 {sup 18}F-FDG PET/CT 诊断方法,其敏感性,特异性,阳性预测值,阴性预测值和准确率分别为: 95.2%, 66.7%, 95.2%, 66.7%, 和 91.6%; 而对于白细胞闪烁扫描诊断方法, 其敏感性, 特异性, 阳性预测值,阴性预测值和准确率分别为: 71.4%, 100%, 100%, 33.3% 和 75%。相比于白细胞闪烁扫描, {sup 18}F-FDG PET/CT 明显展现出较高的敏感性 (p=0.01)。 结论: {sup 18}F-FDG PET/CT 和白细胞闪烁扫描 SPECT 对于 LVAD 感染的诊断具有很好的表现。{sup 18}F-FDG PET/CT 展现出较高的敏感性,可以作为核医学的首要检查。.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

One Law to Rule Them All: The Radial Acceleration Relation of Galaxies

We study the link between baryons and dark matter (DM) in 240 galaxies with spatially resolved kinematic data. Our sample spans 9 dex in stellar mass and includes all morphological types. We consider (1) 153 late-type galaxies (LTGs; spirals and irregulars) with gas rotation curves from the SPARC database, (2) 25 early-type galaxies (ETGs; ellipticals and lenticulars) with stellar and H i data from ATLAS{sup 3D} or X-ray data from Chandra, and (3) 62 dwarf spheroidals (dSphs) with individual-star spectroscopy. We find that LTGs, ETGs, and “classical” dSphs follow the same radial acceleration relation: the observed acceleration (g{sub obs}) correlates with that expected from the distribution of baryons (g{sub bar}) over 4 dex. The relation coincides with the 1:1 line (no DM) at high accelerations but systematically deviates from unity below a critical scale of ∼10{sup −10} m s{sup −2}. The observed scatter is remarkably small (≲0.13 dex) and largely driven by observational uncertainties. The residuals do not correlate with any global or local galaxy property (e.g., baryonic mass, gas fraction, and radius). The radial acceleration relation is tantamount to a natural law: when the baryonic contribution is measured, the rotation curve follows, and vice versa. Including ultrafaint dSphs, the relation may extend by another 2 dex and possibly flatten at g{sub bar}≲10{sup −12} m s{sup −2}, but these data are significantly more uncertain. The radial acceleration relation subsumes and generalizes several well-known dynamical properties of galaxies, like the Tully–Fisher and Faber–Jackson relations, the “baryon-halo” conspiracies, and Renzo’s rule.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Identification of high-dielectric constant compounds from statistical design

Abstract The discovery of high-dielectric materials is crucial to increasing the efficiency of electronic devices and batteries. Here, we report three previously unexplored materials with very high dielectric constants (69 < ϵ < 101) and large band gaps (2.9 < E g (eV) < 5.5) obtained by screening materials databases using statistical optimization algorithms aided by artificial neural networks (ANN). Two of these new dielectrics are mixed-anion compounds (Eu 5 SiCl 6 O 4 and HoClO) and are shown to be thermodynamically stable against common semiconductors via phase diagram analysis. We also uncovered four other materials with relatively large dielectric constants (20 < ϵ < 40) and band gaps (2.3 < E g (eV) < 2.7). While the ANN training-data are obtained from the Materials Project, the search-space consists of materials from the Open Quantum Materials Database (OQMD)—demonstrating a successful implementation of cross-database materials design. Overall, we report the dielectric properties of 17 materials calculated using ab initio calculations, that were selected in our design workflow. The dielectric materials with high-dielectric properties predicted in this work open up further experimental research opportunities.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Risks and reliability of manufacturing processes as related to composite materials for spacecraft structures

Fabricating primary aircraft and spacecraft structures using advanced composite materials entail both benefits and risks. The benefits come from much improved strength-to-weight ratios and stiffness-to-weight ratios, potential for less part count, ability to tailor properties, chemical and solvent resistance, and superior thermal properties. On the other hand, the risks involved include high material costs, lack of processing experience, expensive labor, poor reproducibility, high toxicity for some composites, and a variety of space induced risks. The purpose of this project is to generate a manufacturing database for a selected number of materials with potential for space applications, and to rely on this database to develop quantitative approaches to screen candidate materials and processes for space applications on the basis of their manufacturing risks including costs. So far, the following materials have been included in the database: epoxies, polycyanates, bismalemides, PMR-15, polyphenylene sulfides, polyetherimides, polyetheretherketone, and aluminum lithium. The first four materials are thermoset composites; the next three are thermoplastic composites, and the last one is is a metal. The emphasis of this database is on factors affecting manufacturing such as cost of raw material, handling aspects which include working life and shelf life of resins, process temperature, chemical/solvent resistance, moisture resistance, damage tolerance, toxicity, outgassing, thermal cycling, and void content, nature or type of process, associate tooling, and in-process quality assurance. Based on industry experience and published literature, a relative ranking was established for each of the factors affecting manufacturing as listed above. Potential applications of this database include the determination of a delta cost factor for specific structures with a given process plan and a general methodology to screen materials and processes for incorporation into the current conceptual design optimization of future spacecrafts as being coordinated by the Vehicle Analysis Branch where this research is being conducted.

Bao, Han P.↗
DOE OSTI2024

Developing a Database of Bio-based Materials for Building Envelope Applications

Oak Ridge National Laboratory (ORNL) has been funded by the Department of Energy (DOE) to help accelerate the introduction of building envelope materials that would reduce the carbon footprint of the buildings sector. The DOE’s Building Technologies Office has historically sought to resolve the knowledge gaps regarding the energy efficiency and moisture durability of building envelope systems and to develop the data, guidance, and tools needed to facilitate rapid industry adoption of high-performance, moisture-managed envelope systems. This project will help accelerate the widespread acceptance of a new generation of building materials developed specifically with the intent of reducing the carbon footprint of buildings. We have produced a database of hygrothermal transport properties on low embodied carbon building materials that can be added to energy and durability simulation tools. Properties that were measured include density, heat capacity, thermal conductivity as a function of temperature and relative humidity, moisture dependent permeance, and sorption isotherms as a function of relative humidity. These data sets were measured following consensus national standards using state-of-the-art facilities. The data has been compiled and is being made available to building designers who require these data to assess these new materials in their designs. We will publish the data and seek its addition to reference databases such as the ASHRAE Handbook of Fundamentals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2012

Retrievable Inferior Vena Cava Filters: Factors that Affect Retrieval Success

Purpose: To report and analyze the indications, procedural success, and complications of retrievable inferior vena cava filters (rIVCF) placement and to identify parameters that influence retrieval attempt and failure. Methods: Between January 2005 and December 2010, a total of 200 patients (80 men, median age 67 years, range 11-95 years) received a rIVCF with the clinical possibility that it could be removed. All patients with rIVCF were prospectively entered into a database and followed until retrieval or a decision not to retrieve the filter was made. A retrospective analysis of this database was performed. Results: Sixty-one percent of patients had an accepted indication for filter placement; 39% of patients had a relative indication. There was a tendency toward a higher retrieval rate in patients with relative indications (40% vs. 55%, P = 0.076). Filter placement was technically successful in all patients, with no procedure-related mortality. The retrieval rate was 53%. Patient age of >80 years (odds ratio [OR] 0.056, P > 0.0001) and presence of malignancy (OR 0.303, P = 0.003) was associated with a significantly reduced probability for attempted retrieval. Retrieval failure occurred in 7% (6 of 91) of all retrieval attempts. A time interval of > 90 days between implantation and attempted retrieval was associated with retrieval failure (OR 19.8, P = 0.009). Conclusions: Patient age >80 years and a history of malignancy are predictors of a reduced probability for retrieval attempt. The rate of retrieval failure is low and seems to be associated with a time interval of >90 days between filter placement and retrieval.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Interactive Exploration of High-Dimensional Phase Diagrams

High-dimensional thermodynamic phase stability databases are becoming increasingly common due to the convergence of three recent trends: (i) the widespread interest in so-called “high-entropy” alloys, (ii) the availability of high-throughput computational assessments of phase stability in broad composition spaces and (iii) the ongoing development of ever-increasingly broad, multicomponent, multiphase CALPHAD databases. Although automated computational tools can readily process such high-dimensional data, scientists are often unable to visualize the relevant phase relations, an ability that is crucial to gaining an intuitive understanding of the stability constraints governing materials design. The present work addresses this need by providing algorithms that enable the interactive exploration of phase equilibria in high-dimensional spaces. These algorithms concentrate the complex nonlinear nonsmooth optimization needed into a preprocessing step that generates a large number of high-dimensional yet elementary graphical primitives. Furthermore, these primitives can then be cross-sectioned to yield 3-dimensional views in a computationally efficient manner that enables an interactive exploration of high-dimensional spaces. All of these operations are highly parallelizable, thus facilitating scaling of this method to large data sets.

36 MATERIALS SCIENCE↗
DOE OSTI2018

DES science portal: Computing photometric redshifts

We present the Dark Energy Survey (DES) Science Portal, an integratedweb-based data interface designed to facilitate scientific analysis. Wedemonstrate how the Portal can provide a reliable environment to accesscomplete data sets, provide validation algorithms and metrics in the case ofmultiple methods and training configurations, and maintain the provenancebetween the different steps of a complex calculation, while ensuringreproducibility of the results. We use the estimation of DES photometricredshifts (photo-$z$s) as an example. A significant challenge facingphotometric surveys for cosmological purposes, such as DES, is the need toproduce reliable redshift estimates. The choice between competing algorithmsand configurations and the maintenance of an up-to-date spectroscopic databaseto build training sets, for example, are complex tasks when dealing with largeamounts of data that are regularly updated and constantly growing. We show howthe DES Science Portal can be used to train and validate several photo-$z$algorithms using the DES first year (Y1A1) data. The photo-$z$s estimated inthe Portal are used to feed the creation of catalogs for scientific workflows.While the DES collaboration is still developing techniques to obtain precisephoto-$z$s, having a structured framework like the one presented here iscritical for the systematic vetting of DES algorithmic improvements and theconsistent production of photo-$z$s in future DES releases.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Radiation Therapy Administration and Survival in Stage I/II Extranodal Marginal Zone B-Cell Lymphoma of Mucosa-Associated Lymphoid Tissue

Purpose: To determine the factors associated with the use of radiation therapy and associated survival outcomes in early-stage marginal zone lymphoma of the mucosa-associated lymphoid tissue (MALT). Methods and Materials: We extracted data on adult patients with stage I/II MALT lymphoma diagnoses between 1998 and 2010 recorded in the Surveillance, Epidemiology, and End Results (SEER) database. We studied factors associated with radiation therapy administration in a logistic regression model and described the cumulative incidence of lymphoma-related death (LRD) according to receipt of the treatment. The association of radiation therapy with survival was explored in multivariate models with adjustment for immortal time bias. Results: Of the 7774 identified patients, 36% received radiation therapy as part of the initial course of treatment. Older patients; black or Hispanic men; white, Hispanic, and black women; and socioeconomically disadvantaged and underinsured patients had a significantly lower chance of receiving radiation therapy. Radiation therapy administration was associated with a lower chance of LRD in most sites. In cutaneous, ocular, and salivary MALT lymphomas, the 5-year estimate of LRD after radiation therapy was 0%. The association of radiation therapy with overall survival in different lymphoma sites was heterogeneous, and statistically significant in cutaneous (hazard ratio 0.45, P=.009) and ocular (hazard ratio 0.47, P<.0001) locations after multivariate adjustment. Conclusions: Demographic factors are associated with the use of radiation therapy in MALT lymphoma. Clinicians should be sensitive to those disparities because the administration of radiation therapy may be associated with improved survival, particularly in cutaneous and ocular lymphomas.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2023

Single-size and cluster dynamics modeling of intra-granular fission gas bubbles in UO 2

For this work, we perform simulations of intra-granular fission gas bubble evolution in UO 2 using both a relatively simple, computationally inexpensive single-size model and a detailed cluster dynamics model. Simulations encompass 36 experimental cases from 4 different databases, covering various temperature and burnup levels. We systematically compare results from the two models to each other and to post-irradiation experimental data of bubble average size and number density. Overall, the model-to-model comparisons reveal an excellent agreement across the set of simulations. This outcome indicates that, in spite of the underlying assumptions, the single-size model provides a good approximation of the complex physical behavior that is more rigorously described by the cluster dynamics model. Qualitatively, both models reproduce the trends of the experimental data with temperature and burnup correctly. Quantitatively, calculated results are either in good agreement with the data or within errors that appear consistent with the inherent uncertainties. Moreover, for the single-size model, we demonstrate and assess a multiscale approach whereby values for the fission gas atom diffusion coefficient from separate atomistic calculations are used. Systematic comparisons to experimental data point out a credible accuracy of the multiscale model.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

A counterflow diffusion flame study of branched octane isomers

Conventional petroleum, Fischer–Tropsch (FT), and other alternative hydrocarbon fuels typically contain a high concentration of lightly methylated iso-alkanes. However, until recently little work has been done on this important class of hydrocarbon components. In order to better understand the combustion characteristics of real fuels, this study presents new experimental data for 3-methylheptane and 2,5-dimethylhexane in counterflow diffusion flames. This new dataset includes flame ignition, extinction, and speciation profiles. The high temperature oxidation of these fuels has been modeled using an extended transport database and a high temperature skeletal chemical kinetic model. The skeletal model is generated from a detailed model reduced using the directed relation graph with expert knowledge (DRG-X) methodology. The proposed skeletal model contains sufficient chemical fidelity to accurately predict the experimental speciation data in flames. The predictions are compared to elucidate the effects of number and location of the methyl substitutions. The location is found to have little effect on ignition and extinction in these counterflow diffusion flames. However, increasing the number of methyl substitutions was found to inhibit ignition and promote extinction. Chemical kinetic modelling simulations were used to correlate a fuel’s extinction propensity with its ability to populate the H radical concentration. In conclusion, species composition measurements indicate that the location and number of methyl substitutions was found to particularly affect the amount and type of alkenes observed.

2,5-dimethylhexane↗