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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Persistent Seroconversion after Accidental Eye Exposure to Calcifying Nanoparticles

Biosafety of nanomaterials has attracted much attention recently. We report here a case where accidental human eye exposure to biogenic nanosized calcium phosphate in the form of calcifying nanoparticles (CNP) raised a strong IgG immune response against proteins carried by CNP. The antibody titer has persisted over ten years at the high level. The IgG was detected by ELISA using CNPs propagated in media containing bovine and human serum as antigen. The exposure incident occurred to a woman scientist (WS) at a research laboratory in Finland at 1993. CNP, also termed "nanobacteria", is a unique self-replicating agent that has not been fully characterized and no data on biohazards were available at that time. Before the accident, her serum samples were negative for both CNP antigen and anti-CNP antibody using specific ELISA tests (Nanobac Oy, Kuopio, Finland). The accident occurred while WS was harvesting CNP cultures. Due to a high pressure in pipetting, CNP pellet splashed into her right eye. Both eyes were immediately washed with water and saline. The following days there was irritation and redness in the right eye. These symptoms disappeared within two weeks without any treatment. Three months after the accident, blood and urine samples of WS were tested for CNP cultures (2), CNP-specific ELISA tests, and blood cell counts. Blood cell counts were normal, CNP antigen and culture tests were negative. A high IgG anti-CNP antibody titer was detected (see Figure). The antibodies of this person have been used thereafter as positive control and standard in ELISA manufacturing (Nano-Sero IgG ELISA, Nanobac Oy, Kuopio, Finland).

Ciftcioglu, Neva↗
DOE OSTI2019

Machine Learning Classical Interatomic Potentials for Molecular Dynamics from First-Principles Training Data

The ever-increasing power of modern super-computers, along with the availability of highly scalable atomistic simulation codes, has begun to revolutionize predictive modeling of materials. In particular, molecular dynamics (MD) has led to breakthrough advances in diverse fields, including tribology, catalysis, sensing, and nanoparticle self-assembly. Furthermore, recent integration of MD simulations with X-ray characterization has demonstrated promise in real-time 3-D characterization of materials on the atomic scale. The popularity of MD is driven by its applicability at disparate length/time scales, ranging from ab initio MD (hundreds of atoms and tens of picoseconds) to all-atom classical MD (millions of atoms over microseconds), and coarse-grained (CG) models (micrometers and tens of microseconds). Nevertheless, a substantial gap persists between AIMD, which is highly accurate but restricted to extremely small sizes, and those based on classical force fields (atomistic and CG) with limited accuracy but access to larger length/time scales. The accuracy and predictive power of classical MD simulations is dictated by the empirical force fields, and their capability to capture the relevant physics. Here, we discuss some of our recent work on the use of machine learning (ML) to combine the accuracy and flexibility of electronic structure calculations with the speed of classical potentials. Our ML framework attempts to bridge the significant gulf that exists between the handful of research groups that develop new interatomic potential models (often requiring several years of effort), and the increasingly large user community from academia and industry that applies these models. Our data-driven approach represents significant departure from the status quo and involves several steps including generation and manipulation of extensive training data sets through electronic structure calculations, defining novel potential functional forms, employing state-of-the-art ML algorithms to formulate highly optimized training procedures, and subsequently developing user-friendly workflow tools integrating these algorithms on high-performance computers (HPCs). Our ML approach shows marked success in developing force fields for a wide range of materials from metals, oxides, nitrides, and heterointerfaces to two-dimensional (2D) materials.

Chan, Henry↗
DOE OSTI2016

Randomized Clinical Trial Comparing Proton Beam Radiation Therapy with Transarterial Chemoembolization for Hepatocellular Carcinoma: Results of an Interim Analysis

Purpose: To describe results of a planned interim analysis of a prospective, randomized clinical trial developed to compare treatment outcomes among patients with newly diagnosed hepatocellular carcinoma (HCC). Methods and Materials: Eligible subjects had either clinical or pathologic diagnosis of HCC and met either Milan or San Francisco transplant criteria. Patients were randomly assigned to transarterial chemoembolization (TACE) or to proton beam radiation therapy. Patients randomized to TACE received at least 1 TACE with additional TACE for persistent disease. Proton beam radiation therapy was delivered to all areas of gross disease to a total dose of 70.2 Gy in 15 daily fractions over 3 weeks. The primary endpoint was progression-free survival, with secondary endpoints of overall survival, local tumor control, and treatment-related toxicities as represented by posttreatment days of hospitalization. Results: At the time of this analysis 69 subjects were available for analysis. Of these, 36 were randomized to TACE and 33 to proton. Total days of hospitalization within 30 days of TACE/proton was 166 and 24 days, respectively (P<.001). Ten TACE and 12 proton patients underwent liver transplantation after treatment. Viable tumor identified in the explanted livers after TACE/proton averaged 2.4 and 0.9 cm, respectively. Pathologic complete response after TACE/proton was 10%/25% (P=.38). The 2-year overall survival for all patients was 59%, with no difference between treatment groups. Median survival time was 30 months (95% confidence interval 20.7-39.3 months). There was a trend toward improved 2-year local tumor control (88% vs 45%, P=.06) and progression-free survival (48% vs 31%, P=.06) favoring the proton beam treatment group. Conclusions: This interim analysis indicates similar overall survival rates for proton beam radiation therapy and TACE. There is a trend toward improved local tumor control and progression-free survival with proton beam. There are significantly fewer hospitalization days after proton treatment, which may indicate reduced toxicity with proton beam therapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS1984

On the potential use of satellite sounder data in forecasting tropical cyclone motion

Although many prediction schemes are available, tropical cyclone track forecast errors are still unacceptably large. A primary difficulty is that tropical cyclones and their environments are poorly observed by conventional data networks. Satellite sounders, however, routinely provide numerous observations near these storms. Mean layer temperatures from the Scanning Microwave Spectrometer (SCAMS) on board the Nimbus-6 satellite are decomposed using empirical orthogonal functions, and the expansion coefficients are related to deviations from persistence track forecasts. Based on multiple correlation coefficients it appears that upper-level (250-100 mb) temperatures contain significant information about the right-angle error of the persistence forecast location. Temperatures from the 1000-500 mb layer seemed to contain little forecast information. Implications of these results for further work are offered.

Kidder, S. Q.↗
NASA NTRS1988

The relative utility of persistence and medium-range dynamical forecasts of monthly mean 700 mb heights

The proposal of Harnack et al. (1986) that monthly 700-mb height anomalies can be predicted using simulated medium-range numerical forecasts is tested with actual numerical forecasts produced under strict operational conditions. These conditions included nonavailability of long model forecast histories from which to develop estimates of drift, frequent model changes over the period of the experiment, a requirement that each monthly forecast be made four days before the beginning of the month, and the use of only data which are available on the day of the forecast. The overall results and month-by-month results confirm the hypothesis of the Harnack group.

Livezey, Robert E.↗
DOE OSTI2016

Biosolids inhibit bioavailability and plant uptake of triclosan and triclocarban

Biosolids from wastewater treatment are primarily disposed of via land applications, where numerous pharmaceuticals and personal care products (PPCPs) may contaminate food crops and pose a human exposure risk. Biosolids are rich in organic carbon and addition of biosolids can increase the sorption of certain PPCPs in soil, decreasing their bioavailability. This work tested the hypothesis that the relative plant uptake of PPCPs decreases with increasing biosolids amendment. Accumulation of triclosan and triclocarban was measured in roots of radish and carrot grown in soils with or without biosolids. Addition of biosolids significantly prolonged the persistence of triclosan in soil. When expressed in bioaccumulation factor (BCF), accumulation of triclosan drastically decreased in biosolids-amended soils, while the effect was limited for triclocarban. Compared to the unamended soil, amending biosolids at 2% (w/w) decreased BCF of triclosan in the edible tissues of radish and carrot by 85.4 and 89.3%, respectively. Measurement using a thin-film passive sampler provided direct evidence showing that the availability of triclosan greatly decreased in biosolids-amended soils. Partial correlation analysis using data from this and published studies validated that biosolids decreased plant uptake primarily by increasing soil organic carbon content and subsequently sorption. Therefore, contamination of food crops by biosolids-borne contaminants does not linearly depend on biosolids use rates. This finding bears significant implications in the overall risk evaluation of biosolids-borne contaminants.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Wealth inequality in the prehispanic northern US Southwest: from Malthus to Tyche

Persistent differences in wealth and power among prehispanic Pueblo societies are visible from the late AD 800s through the late 1200s, after which large portions of the northern US Southwest were depopulated. In this paper we measure these differences in wealth using Gini coefficients based on house size, and show that high Ginis (large wealth differences) are positively related to persistence in settlements and inversely related to an annual measure of the size of the unoccupied dry-farming niche. We argue that wealth inequality in this record is due first to processes inherent in village life which have internally different distributions of the most productive maize fields, exacerbated by the dynamics of systems of balanced reciprocity; and second to decreasing ability to escape village life owing to shrinking availability of unoccupied places within the maize dry-farming niche as villages get enmeshed in regional systems of tribute or taxation. We embed this analytical reconstruction in the model of an ‘Abrupt imposition of Malthusian equilibrium in a natural-fertility, agrarian society’ proposed by Puleston et al. (Puleston C, Tuljapurkar S, Winterhalder B. 2014 PLoS ONE 9, e87541 (doi:10.1371/journal.pone.0087541)), but show that the transition to Malthusian dynamics in this area is not abrupt but extends over centuries. This article is part of the theme issue ‘Evolutionary ecology of inequality’.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Cosmological preference for a negative neutrino mass

The most precise determination of the sum of neutrino masses from cosmological data, derived from analysis of the cosmic microwave background (CMB) and baryon acoustic acoustic oscillations (BAO) from the Dark Energy Spectroscopic Instrument (DESI), favors a value below the minimum inferred from neutrino flavor oscillation experiments. We explore which data is most responsible of this puzzling aspect of the current constraints on neutrino mass and whether it is related to other anomalies in cosmology. We demonstrate conclusively that the preference for negative neutrino masses is a consequence of larger than expected lensing of the CMB in both the two- and four-point lensing statistics. Furthermore, we show that this preference is robust to changes in likelihoods of the BAO and CMB optical depth analyses given the available data. We then show that this excess clustering is not easily explained by changes to the expansion history and is likely distinct from the preference for for dynamical dark energy in DESI BAO data. Finally, we discuss how future data may impact these results, including an analysis of Planck CMB with mock DESI 5-year data. Here, we conclude that the negative neutrino mass preference is likely to persist even as more cosmological data is collected in the near future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1973

Application of ERTS-1 imagery to the harvest model of the US Menhaden fishery

Preliminary results of an experiment to demonstrate the utility of ERTS-1 imagery for providing significant information to the harvest model of the menhaden industry are reported. Fisheries and related environmental data were obtained discontinuously throughout the 1973 menhaden (a surface schooling, coastal species) fishing season in Mississippi Sound. The unexpected complexity of the physical environment in Mississippi Sound precluded simplistic analysis of fish/environment relationships. Preliminary indications are that an association does exist between fish availability and differences in water transparency (turbidity) within the Sound. A clearer relationship is developing between major turbid features, imaged by ERTS-1 and location of successful fishing attempts. On all occasions where relatively cloudfree ERTS-1 overflight days coincided with fishery activity, overlays of catch location of ERTS-1 images show an association of school position with interfaces between imaged turbid features. Analysis is currently underway to determine persistence of such associations in an attempt to define minimum satellite return time necessary to maintain continuity of associations.

Maughan, P. M.↗
NASA NTRS2017

Quantifying the Influence of Global Warming on Unprecedented Extreme Climate Events

Efforts to understand the influence of historical global warming on individual extreme climate events have increased over the past decade. However, despite substantial progress, events that are unprecedented in the local observational record remain a persistent challenge. Leveraging observations and a large climate model ensemble, we quantify uncertainty in the influence of global warming on the severity and probability of the historically hottest month, hottest day, driest year, and wettest 5-d period for different areas of the globe. We find that historical warming has increased the severity and probability of the hottest month and hottest day of the year at >80% of the available observational area. Our framework also suggests that the historical climate forcing has increased the probability of the driest year and wettest 5-d period at 57% and 41% of the observed area, respectively, although we note important caveats. For the most protracted hot and dry events, the strongest and most widespread contributions of anthropogenic climate forcing occur in the tropics, including increases in probability of at least a factor of 4 for the hottest month and at least a factor of 2 for the driest year. We also demonstrate the ability of our framework to systematically evaluate the role of dynamic and thermodynamic factors such as atmospheric circulation patterns and atmospheric water vapor, and find extremely high statistical confidence that anthropogenic forcing increased the probability of record-low Arctic sea ice extent.

Diffenbaugh, Noah S.↗
DOE OSTI2025

Radsource Mr: Mixed Reality Planning Tool For Radioactive Recovery

The RadSource MR system leverages Meta Quest 3's advanced mixed reality capabilities to create a comprehensive spatial planning platform for end-of-life sealed radioactive source recovery operations. The application utilizes the Quest 3's high-resolution passthrough cameras and spatial mapping algorithms to generate accurate 3D environmental models. Core technical components include: (1) Real-time spatial measurement algorithms calculating distances, angles, slopes, and surface areas with sub-centimeter accuracy; (2) Virtual object placement system allowing users to position digital representations of recovery equipment (trailers, containment vessels, protective barriers) within the real environment; (3) Voice recording and annotation system for hands-free documentation in protective equipment; (4) 3D mesh capture and storage capabilities for post-operation analysis and regulatory documentation. (5) Procedure documentation is available for viewing in Mixed Reality, providing an innovative and convenient way to access the information during pre-visit and inspection activities. (6) Support for screen capture for the view for real world and virtual objects together to use it later for planning. The system integrates computer vision techniques for environmental understanding, spatial mathematics for precise measurements, and human-computer interaction principles optimized for hazardous environment operations. Data persistence allows teams to save and share planning sessions across multiple stakeholders while maintaining operational security requirements.

Khadka, Rajiv [Idaho National Laboratory (INL), Id↗
DOE OSTI2018

Mesoporous EU-1 zeolite with enhanced accessibility and diffusion for bulky molecular reaction

Highlights: • Mesoporous EU-1 zeolites with adjustable mesoporosity have been first prepared. • One-dimensional in microporous to three-dimensional diffusion in mesoporous EU-1. • Obviously increment of available acid sites for bulky molecules in the zeolite. • Sufficiently reaction space for isomerization and disproportionation of cumene. - Abstract: Mesoporous EU-1 zeolites with adjustable mesoporosity have been prepared by employing silanized silica into the starting synthesis gel, based on the hinder effect of organic moiety to crystal growth. The synthesized mesoporous EU-1 zeolites were characterized by XRD, NMR, SEM/TEM and N{sub 2} adsorption/desorption at 77 K, showing the persistence of inherent microporous framework structure of EU-1 zeolite and the existence of additional mesopores within the range of 3–10 nm. The generation of mesoporosities is from the intercrystalline voids of nanocrystal aggregates. The introduction of mesopores in EU-1 zeolite increased the adsorption of mesitylene with the kinetics diameter larger than the micropore size, and made it possible for the diffusion pattern of n-heptane from one-dimensional in microporous EU-1 to three-dimensional in mesoporous EU-1. This result together with the enhanced accessibility of acidic sites of mesoporous EU-1 improved greatly the catalytic activity and product yields of cumene cracking reaction involving bulky molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2019

AI Meets Exascale Computing: Advancing Cancer Research With Large-Scale High Performance Computing

The application of data science in cancer research has been boosted by major advances in three primary areas: (1) Data: diversity, amount, and availability of biomedical data; (2) Advances in Artificial Intelligence (AI) and Machine Learning (ML) algorithms that enable learning from complex, large-scale data; and (3) Advances in computer architectures allowing unprecedented acceleration of simulation and machine learning algorithms. These advances help build in silico ML models that can provide transformative insights from data including: molecular dynamics simulations, next-generation sequencing, omics, imaging, and unstructured clinical text documents. Unique challenges persist, however, in building ML models related to cancer, including: (1) access, sharing, labeling, and integration of multimodal and multi-institutional data across different cancer types; (2) developing AI models for cancer research capable of scaling on next generation high performance computers; and (3) assessing robustness and reliability in the AI models. In this paper, we review the National Cancer Institute (NCI) -Department of Energy (DOE) collaboration, Joint Design of Advanced Computing Solutions for Cancer (JDACS4C), a multi-institution collaborative effort focused on advancing computing and data technologies to accelerate cancer research on three levels: molecular, cellular, and population. This collaboration integrates various types of generated data, pre-exascale compute resources, and advances in ML models to increase understanding of basic cancer biology, identify promising new treatment options, predict outcomes, and eventually prescribe specialized treatments for patients with cancer.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1998

Wake-Vortex Hazards During Cruise

Even though the hazard posed by lift-generated wakes of subsonic transport aircraft has been studied extensively for approach and departure at airports, only a small amount of effort has gone into the potential hazard at cruise altitude. This paper reports on a studio of the wake-vortex hazard during cruise because encounters may become more prevalent when free-flight becomes available and each aircraft, is free to choose its own route between destinations. In order to address the problem, the various fluid-dynamic stages that vortex wakes usually go through as they age will be described along with estimates of the potential hazard that each stage poses. It appears that a rolling-moment hazard can be just as severe at cruise as for approach at airports, but it only persists for several minutes. However, the hazard posed by the downwash in the wake due to the lift on the generator aircraft persists for tens of minutes in a long narrow region behind the generating aircraft. The hazard consists of severe vertical loads when an encountering aircraft crosses the wake. A technique for avoiding vortex wakes at cruise altitude will be described. To date the hazard posed by lift-generated vortex wakes and their persistence at cruise altitudes has been identified and subdivided into several tasks. Analyses of the loads to be encounter and are underway and should be completed shortly. A review of published literature on the subject has been nearly completed (see text) and photographs of vortex wakes at cruise altitudes have been taken and the various stages of decay have been identified. It remains to study and sort the photographs for those that best illustrate the various stages of decay after they are shed by subsonic transport aircraft at cruise altitudes. The present status of the analysis and the paper are described.

Rossow, Vernon J.↗
NASA NTRS2012

Surface Temperature Data Analysis

Small global mean temperature changes may have significant to disastrous consequences for the Earth's climate if they persist for an extended period. Obtaining global means from local weather reports is hampered by the uneven spatial distribution of the reliably reporting weather stations. Methods had to be developed that minimize as far as possible the impact of that situation. This software is a method of combining temperature data of individual stations to obtain a global mean trend, overcoming/estimating the uncertainty introduced by the spatial and temporal gaps in the available data. Useful estimates were obtained by the introduction of a special grid, subdividing the Earth's surface into 8,000 equal-area boxes, using the existing data to create virtual stations at the center of each of these boxes, and combining temperature anomalies (after assessing the radius of high correlation) rather than temperatures.

Hansen, James↗
DOE OSTI2020

Curation of Ground-Truth Validated Benchmarking Datasets for Fault Detection & Diagnostics Tools

Fault detection and diagnostics (FDD) analytical tools for heating, ventilation and air conditioning (HVAC) systems represent one of the most active areas of smart building technology development. A diversity of techniques is used for FDD analytics, spanning physical models, black box, and rule-based approaches, and researchers continuously strive to develop improved algorithms. With FDD algorithm numbers now in the hundreds, there is a need for performance evaluation of these algorithms in order to assess improvements, improve costeffectiveness, and to prioritize investment in the further development of these technologies. A persistent challenge of FDD advance has been the lack of common datasets to benchmark the performance accuracy of FDD algorithms. This paper summarizes the successful curation of HVAC operational data, paired with validated ground-truth information regarding the presence and absence of faults. The current dataset, consisting of both simulation and experimental data, will evolve to include a larger set of HVAC systems with the objective of creating the largest publicly available dataset to be used by FDD developers, users, and researchers to compare and contrast performance accuracy across FDD algorithms, helping to drive improvements that will spur greater market adoption of FDD tools. Furthermore, in order to avoid previously observed issues with contributed datasets and ensure high quality and consistency of future submissions, the development of data validation and ground-truth assessment protocol is detailed in this study.

Casillas, Armando↗
DOE OSTI2016

Accretion and orbital inspiral in gas-assisted supermassive black hole binary mergers

Many galaxies are expected to harbor binary supermassive black holes (SMBHs) in their centers. Their interaction with the surrounding gas results in the accretion and exchange of angular momentum via tidal torques, facilitating binary inspiral. Here, we explore the non-trivial coupling between these two processes and analyze how the global properties of externally supplied circumbinary disks depend on the binary accretion rate. By formulating our results in terms of the angular momentum flux driven by internal stresses, we come up with a very simple classification of the possible global disk structures, which differ from the standard constant M-dot accretion disk solution. The suppression of accretion by the binary tides, leading to a significant mass accumulation in the inner disk, accelerates binary inspiral. We show that once the disk region strongly perturbed by the viscously transmitted tidal torque exceeds the binary semimajor axis, the binary can merge in less than its mass-doubling time due to accretion. Thus, unlike the inspirals driven by stellar scattering, the gas-assisted merger can occur even if the binary is embedded in a relatively low-mass disk (lower than its own mass). This is important for resolving the “last parsec” problem for SMBH binaries and understanding powerful gravitational wave sources in the universe. We argue that the enhancement of accretion by the binary found in some recent simulations cannot persist for a long time and should not affect the long-term orbital inspiral. We also review existing simulations of SMBH binary–disk coupling and propose a numerical setup which is particularly well suited to verifying our theoretical predictions.

79 ASTRONOMY AND ASTROPHYSICS↗