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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
DOE OSTI2020

Replicating Machine Learning Experiments in Materials Science

Transparency and reproducibility are important aspects of validation for Machine Learning (ML) models that are not fully understood and applies independently of the application domain.We offer a case study of reproducibility that highlights the challenges encountered when attempting to reproduce analyzes obtained with Machine Learning methods in materials informatics. Our study explores prediction results obtained with ML models and issues in training data serving as input. We discuss challenges related to theory-driven and numerical errors in training data, lack of reproducibility across platforms and versions, and effects of randomness when varying hyperparameters. In addition to model accuracy, a main metric of interest in the ML community, our results show that model sensitivity may be equally important for applying ML in domain applications such a materials science.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

High-throughput serum proteomics for the identification of protein biomarkers of mortality in older men

The biological perturbations associated with incident mortality are not well elucidated, and there are limited biomarkers for the prediction of mortality. In this work we used a novel high throughput proteomics approach to identify serum peptides and proteins associated with 5 year mortality in community dwelling men age >65 years who participated in a longitudinal observational study of musculoskeletal aging (Osteoporotic Fractures in Men: MrOS). In a discovery phase, serum specimens collected at baseline in 2473 men were analyzed using liquid chromatography-ion mobility-mass spectrometry, and incident mortality in the subsequent 5 years was ascertained by tri-annual questionnaire. Rigorous statistical methods were utilized to identify 56 peptides (31 proteins) that were associated with 5-year mortality. In an independent replication phase, selected reaction monitoring was used to examine 21 of those peptides in baseline serum from 750 additional men; 81% of those peptides remained significantly associated with mortality. Mortality-associated proteins included a variety involved in inflammation or complement activation; several have been previously linked to mortality (e.g. C reactive protein, alpha 1-antichymotrypsin) and others are not previously known to be associated with mortality. Other novel proteins of interest included pregnancy-associated plasma protein, VE cadherin, leucine-rich α-2 glycoprotein 1, vinculin, vitronectin, mast/stem cell growth factor receptor and Saa4. A panel of peptides improved the predictive value of a commonly used clinical predictor of mortality. Overall, these results suggest that complex inflammatory pathways, and proteins in other pathways, are linked to 5-year mortality risk. This work may serve to identify novel biomarkers for near term mortality.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Optimization of a Method To Quantify Soil Bacterial Abundance by Flow Cytometry

ABSTRACT Bacterial abundance is a fundamental metric for understanding the population dynamics of soil bacteria and their role in biogeochemical cycles. Despite its importance, methodological constraints hamper our ability to assess bacterial abundance in terrestrial environments. Here, we aimed to optimize the use of flow cytometry (FCM) to assay bacterial abundances in soil while providing a rigorous quantification of its limitations. Soil samples were spiked with Escherichia coli to evaluate the levels of recovery efficiency among three extraction approaches. The optimized method added a surfactant (a tetrasodium pyrophosphate [TSP] buffer) to 0.1 g of soil, applied an intermediate degree of agitation through shaking, and used a Nycodenz density gradient to separate the cells from background debris. This procedure resulted in a high (average, 89%) level of cell recovery. Recovery efficiencies did not differ significantly among sites across an elevation gradient but were positively correlated with percent carbon in the soil samples. Estimated abundances were also highly repeatable between technical replicates. The method was applied to samples from two field studies and, in both cases, was sensitive enough to detect treatment and site differences in bacterial abundances. We conclude that FCM offers a fast and sensitive method to assay soil bacterial abundance from relatively small amounts of soil. Further work is needed to assay differential biases of the method across a wider range of soil types. IMPORTANCE The ability to quantify bacterial abundance is important for understanding the contributions of microbial communities in soils, but such assays remain difficult and time-consuming. Flow cytometry offers a fast and direct way to count bacterial cells, but several concerns remain in applying the technique to soils. This study aimed to improve the efficiency of the method for soil while quantifying its limitations. We demonstrated that an optimized procedure was sensitive enough to capture differences in bacterial abundances among treatments and ecosystems in two field studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

The E3SM version 1 single-column model

Abstract. The single-column model (SCM) functionality of the Energy Exascale Earth System Model version 1 (E3SMv1) is described in this paper. The E3SM SCM was adopted from the SCM used in the Community Atmosphere Model (CAM) but has evolved significantly since then. We describe changes made to the aerosol specification in the SCM, idealizations, and developments made so that the SCM uses the same dynamical core as the full general circulation model (GCM) component. Based on these changes, we describe and demonstrate the seamless capability to “replay” a GCM column using the SCM. We give an overview of the E3SM case library and briefly describe which cases may serve as useful proxies for replicating and investigate some long-standing biases in the full GCM runs while demonstrating that the E3SM SCM is an efficient tool for both model development and evaluation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Argo Observations of the Deep Mixing Band in the Southern Ocean: A Salinity Modeling Challenge

The Southern Ocean plays an important role in mediating oceanic uptake of CO 2 and heat due to a strong meridional overturning circulation. Gridded Argo float data for 2004–2017 were used to evaluate subsurface processes at the mixed layer depth (MLD) that occur in a narrow deep mixing band. Shifts in the value of the Turner Angle at the MLD indicate that early in the season the MLD deepens slowly as it encounters and is stabilized by a subsurface salt maximum. By September mixing has penetrated this salinity feature and the rate of deepening is faster once the MLD is deeper than the depth where the maximum salinity occurs (~150–200 m). This distinctive salinity layer is the result of surface Ekman transport of fresh water from the south and subsurface advection of high-salinity water from the north. Two configurations of the Community Earth System Model (CESM) ocean-ice forced hindcast experiments—one with 1° and the other with 0.1° horizontal resolution (Parallel Ocean Program low and high resolutions [POP-LR and POP-HR], respectively)—are compared with the Argo data for 2005–2009. POP-LR has a shallow MLD bias common to many Fifth Coupled Models Intercomparison Project (CMIP5) models, while POP-HR has a mix of deep and shallow MLD biases. While both models were able to replicate the large-scale processes leading to formation of a high-salinity layer, the salinity feature in POP-HR is too strong and deep. Neither model was able to replicate the vertical mixing processes leading to penetration of the subsurface salt maximum.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Investigation of High Temperature Silica Based Fiber Optic Materials (Final Report)

This report summarizes technical progress during the program “Investigation of High Temperature Silica Based Fiber Optic Materials”, performed by the Center for Photonics Technology of the Bradley Department of Electrical and Computer Engineering at Virginia Tech. The objective of this program was to investigate and characterize the performance of commercially available optical fibers at elevated temperatures in replicated fuel gas streams. It also includes performing a comprehensive study of the interactions with the chemical constituents with respect to structural, optical, and mechanical stability and developing design strategies to assure reliable performance of deployed optical fibers and sensors. In the eight quarters of the project, work was done to complete the database of test results and findings for the creation of an optical fiber selection guide for high temperature applications. It is anticipated that this design tool will provide the scientific community with the information necessary to deploy sensing systems with the most robust and reliable fused silica optical fibers. Standard telecommunications grade germanium doped single and multimode fibers have been shown to perform reliably up to temperatures of 1100°C in non-hydrogen environments and/or properly designed sensor applications. Pure silica core single mode and low OH, large core step index multimode fibers, which have also shown to perform reliability up to temperatures of 1000ºC, are recommended for hydrogen and moist environments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Development of Transformative Preparation Methods to Push up High Q&G Performance of FRIB Spare HWR Cryomodule Cavities

The FRIB accelerator project construction, a top priority of US nuclear science, was completed in January 2022, and is now moving to user operation. The stable and reliable operation of the accelerating cryomodules is essential in achieving/fulfilling DOE and user expectations. So far, FRIB cryomodules meet all FRIB specifications for cavity performance. However, during the lifetime of machine operation, degradation of cryomodule performance is possible, as reported in similar operating facilities (CEBAF, SNS). If cryomodule degradation is observed at FRIB, the under-performing cryomodule will require replacement/maintenance. In effort to manage operational reliability, FRIB plans to construct a 0.53 half-wave cryomodule to serve as an active spare. In a parallel effort, FRIB will also work toward increasing operational Q and gradient of spare cryomodule cavities to gain an overall performance margin to support future operational reliability. The current FRIB cavity designs have a potential to operate at gradients higher than 8 MV/m, but are currently limited by field emission (FE) and/or high field Q slope (HFQS); known issue in buffered chemical polished (BCP) treated cavities. The proposal looks to develop transformative surface preparation treatments to improve the operational gradient of spare cryomodules higher than 10 MV/m while maintaining high Q. Thus, increasing operational margin by 30 - 50%. With the goal to improve operational reliability set, the proposal will investigate multiple objectives as possible paths forward to achieve an overall increase in cavity performance and gain a better understanding of SRF limiting mechanisms. The proposal will study the application of different chemical surface treatments to 0.53 half-wave cavities, with the addition of low temperature bakes (LTB), and measure their effects on accelerating performance. Proposed chemical treatments to be explored in this proposal include conventional EP acid mixtures, as well as innovated EP and BCP acid mixtures designed to simplify processing paths in migrating FE and HFQS. The proposed transformative treatment wet N-doping also has the potential to replicate recent advancements in SRF technology relating to nitrogen doping and high Q operation without the requirement for an ultra-high vacuum annealing furnace; currently being developed at FNAL and JLAB. In parallel, high Q performance relating to flux trapping will be investigated with the installation of a second layer of magnetic shielding in the vertical test Dewar. The research objectives presented in the proposal, and their corresponding effects on cavity performance, will provide essential knowledge and future guidance to the SRF community and provide possible paths for future SRF based projects and applications.

43 PARTICLE ACCELERATORS↗
NASA NTRS2018

Deep Space Gateway Science Opportunities

The NASA Life Sciences Research Capabilities Team (LSRCT) has been discussing deep space research needs for the last two years. NASA's programs conducting life sciences studies - the Human Research Program, Space Biology, Astrobiology, and Planetary Protection - see the Deep Space Gateway (DSG) as affording enormous opportunities to investigate biological organisms in a unique environment that cannot be replicated in Earth-based laboratories or on Low Earth Orbit science platforms. These investigations may provide in many cases the definitive answers to risks associated with exploration and living outside Earth's protective magnetic field. Unlike Low Earth Orbit or terrestrial locations, the Gateway location will be subjected to the true deep space spectrum and influence of both galactic cosmic and solar particle radiation and thus presents an opportunity to investigate their long-term exposure effects. The question of how a community of biological organisms change over time within the harsh environment of space flight outside of the magnetic field protection can be investigated. The biological response to the absence of Earth's geomagnetic field can be studied for the first time. Will organisms change in new and unique ways under these new conditions? This may be specifically true on investigations of microbial communities. The Gateway provides a platform for microbiology experiments both inside, to improve understanding of interactions between microbes and human habitats, and outside, to improve understanding of microbe-hardware interactions exposed to the space environment.

Quincy, C. D.↗
DOE OSTI2020

Nitrogen fixation and resorption efficiency differences among twelve upland and lowland switchgrass cultivars

In nitrogen (N)-limited terrestrial ecosystems, plants employ various strategies to acquire and conserve N, including translocation of N in perennial tissues and stimulation of N fixation in roots and soils. Switchgrass (Panicum virgatum L.) is a genotypically and phenotypically diverse perennial grass with two distinct ecotypes (lowland and upland) and numerous genotypes. It grows well in low-N soils, likely because of its ability to translocate N and to associate with N-fixing microbes, but little is known about variation in these traits among cultivars or even ecotypes. We measured N translocation, N fixation potential in roots and soils, soil net N mineralization, soil net nitrification, and biomass yields in 12 switchgrass cultivars grown in a replicated block experiment in southwestern Michigan, USA. Lowland cultivars had higher yields, rates of N translocation, soil net N mineralization, and N fixation potentials on washed, non-sterile roots, while upland cultivars exhibited higher N fixation potentials in root-free soil. N resorption efficiencies averaged 53±5 [SE] % for lowland versus 29±3% for upland cultivars. Additionally, there were significant among-cultivar differences for all response variables except mineralization and nitrification, with differences likely explained by cultivar-specific physiologies and microbial communities. Here, the ideal cultivar for biofuels is one that can maintain high yields with minimal fertilizer addition and there appear to be several cultivars that meet these criteria. In addition, results suggest substantial N cycle differences among cultivars that might be exploited by breeders to create new or improved high-yielding, N-conserving switchgrass lines.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRSDate not supplied

Cloud-Based Solutions for Monitoring Coastal Ecosystems and Prioritization of Restoration Efforts Across Belize

In recent years the availability of automated change detection algorithms in Google Earth Engine has permitted cloud-based processing of large time series of satellite imagery. Models such as the Continuous Change Detection and Classification (CCDC), CCDC-Spectral Mixture Analysis (CCDC-SMA), and Landsat-based Detection of Trends in Disturbance and Recovery (LandTrendr) allow users to exploit decades of Earth Observations (EO) , leveraging the Landsat archive and data from other sensors to detect disturbance in forest ecosystems. Despite the wide adoption of these methods, robust documentation and growing community of users, little research has explored their use in mangrove environments. Mangroves are dynamic environments subject to changes due to not only the natural migration of mudflats but also coastal erosion, urban expansion, aquaculture practices, etc. This work aims to identify best practices for the application of these models to identify and monitor changes in the Belizean mangroves, which experienced an estimated 5.4% decrease in extent between 1980 and 2017 (Cherrington et al. 2020). Partnering directly with the Belizean Forest Department, our team will develop a replicable, efficient methodology to annually update the country’s mangrove extent employing EO-based change detection. This collaboration supports Belize’s marine conservation and climate resilience efforts, such as its Blue Bond agreement with the Nature Conservancy, building on national processes to monitor these critical ecosystems.

Mangroves↗
DOE OSTI2021

Multiscale Airborne Infectious Disease Transmission

Airborne disease transmission is central to many scientific disciplines, including agriculture, veterinary biosafety, medicine, and public health. Legal and regulatory standards are in place to prevent agricultural, nosocomial, and community airborne disease transmission. However, the overall importance of the airborne pathway is underappreciated; e.g., the U.S. National Library of Medicine’s Medical Subjects Headings (MESH) thesaurus lacks an airborne disease transmission indexing term. This has practical consequences, as airborne precautions to control epidemic disease spread may not be taken when airborne transmission is important but unrecognized. Publishing clearer practical methodological guidelines for surveillance studies and disease outbreak evaluations could help address this situation. To inform future work, this paper highlights selected, well-established airborne transmission events, largely cases replicated in multiple, independently conducted scientific studies. Methodologies include field experiments, modeling, epidemiology studies, disease outbreak investigations, and mitigation studies. Collectively, this literature demonstrates that airborne viruses, bacteria, and fungal pathogens have the ability to cause disease in plants, animals, and humans over multiple distances, from near range (<5 m) to continental (>500 km) in scale. The plausibility and implications of undetected airborne disease transmission are discussed, including the notable underreporting of disease burdens for several airborne-transmitted diseases.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2005

The Chemistry of Early Self-replicating Systems

The NASA Specialized Center of Research and Training in Exobiology (NSCORT/Exobiology) is a program within the University of California, San Diego, California Space Institute (Dr. Wolfgang Berger, Director). It has been funded by two 5-year Federal Demonstration Project Grants from NASA; and currently (February 1, 2003-December 31,2004) received supplemental funding to support our research completion of the NAG5-4546 Final Report for past 5 years, seminars, public lectures, and support for program administrative office. The program's specific aims have been: 1. The support and training of Postdoctoral, Graduate, and Undergraduate Fellows in Exobiology. 2. The support of research by the Principal Investigators and Fellows in the field of Exobiology. 3. Outreach programs emphasizing the dissemination and exchange of information concerning Exobiology within the scientific community, primary, secondary and college students, and the general public. 4. Public Lectures, Discussion S e m h q Seminars and Fellows Journals Club. 5. Host of the 2003 Public Lectures "Celebrating 50 Years of Prebiotic Chemistry" held at the University of California, San Diego in La Jolla, California on June 10,2003. 6. Host of the 1999 meeting of the International Society for the Study of the Origin of Life (ISSOL) held at the University of California, San Diego in La Jolla, California, from Sunday, July 11 through Friday, July 16,1999.

Bada, Jeffrey L.↗
DOE OSTI2018

Requirements for a global data infrastructure in support of CMIP6

The World Climate Research Programme (WCRP)'s Working Group on Climate Modelling (WGCM) Infrastructure Panel (WIP) was formed in 2014 in response to the explosive growth in size and complexity of Coupled Model Intercomparison Projects (CMIPs) between CMIP3 (2005–2006) and CMIP5 (2011–2012). This article presents the WIP recommendations for the global data infrastructure needed to support CMIP design, future growth, and evolution. Developed in close coordination with those who build and run the existing infrastructure (the Earth System Grid Federation; ESGF), the recommendations are based on several principles beginning with the need to separate requirements, implementation, and operations. Other important principles include the consideration of the diversity of community needs around data – a data ecosystem – the importance of provenance, the need for automation, and the obligation to measure costs and benefits. This paper concentrates on requirements, recognizing the diversity of communities involved (modelers, analysts, software developers, and downstream users). Such requirements include the need for scientific reproducibility and accountability alongside the need to record and track data usage. One key element is to generate a dataset-centric rather than system-centric focus, with an aim to making the infrastructure less prone to systemic failure. With these overarching principles and requirements, the WIP has produced a set of position papers, which are summarized in the latter pages of this document. They provide specifications for managing and delivering model output, including strategies for replication and versioning, licensing, data quality assurance, citation, long-term archiving, and dataset tracking. They also describe a new and more formal approach for specifying what data, and associated metadata, should be saved, which enables future data volumes to be estimated, particularly for well-defined projects such as CMIP6. The paper concludes with a future facing consideration of the global data infrastructure evolution that follows from the blurring of boundaries between climate and weather, and the changing nature of published scientific results in the digital age.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Gestational exposure to HIV drugs alters intestinal mucosa-associated microbial diversity in adult rat offspring

The antiretroviral (ARV) drug combination of abacavir sulfate, dolutegravir, and lamivudine [ABC/DTG/3TC; Tri combination Anti-retroviral therapy (TC-ART)] has revolutionized HIV treatment by effectively targeting different stages of viral replication. Despite its therapeutic efficiency for maintaining low viremia in the mother during pregnancy, there are concerns for long-term liabilities in offspring that are indirectly exposed during vulnerable periods of development. The commensal microbiota plays a crucial role in maintaining overall gut health, and disruption of the microbiome is often linked to various extraintestinal effects such as immune dysregulation and inflammation. We recently reported the effects of this drug combination in altering fecal microbiome composition of aged rats perinatally exposed to ABC/DTG/3TC-ART. The fecal microbiome can provide only a snapshot of the composition of microbial community at the end of the digestive tract, which may not reflect the microbial population interacting with ileal mucosa. Thus, the current work reports the effects of this drug combination in the gut mucosa-associated microbiome of the same animals, which showed significant microbial diversity and species richness in high dose exposed female adult offspring, along with dose-dependent changes in Firmicutes/Bacteroidetes ratio. The high dose exposure also showed an increase in opportunistic bacterial species in male animals. Overall, we found that, similar to the fecal microbiome, perinatal exposure to TC-ART led to sex- and dose-dependent alterations in the gut mucosa-associated microbial population in aged rats, suggesting that early life exposure to these drugs may influence gut mucosa-associated immune responses and intestinal permeability.

Research & Experimental Medicine↗
NASA NTRS1985

Preliminary design of the redundant software experiment

The goal of the present experiment is to characterize the fault distributions of highly reliable software replicates, constructed using techniques and environments which are similar to those used in comtemporary industrial software facilities. The fault distributions and their effect on the reliability of fault tolerant configurations of the software will be determined through extensive life testing of the replicates against carefully constructed randomly generated test data. Each detected error will be carefully analyzed to provide insight in to their nature and cause. A direct objective is to develop techniques for reducing the intensity of coincident errors, thus increasing the reliability gain which can be achieved with fault tolerance. Data on the reliability gains realized, and the cost of the fault tolerant configurations can be used to design a companion experiment to determine the cost effectiveness of the fault tolerant strategy. Finally, the data and analysis produced by this experiment will be valuable to the software engineering community as a whole because it will provide a useful insight into the nature and cause of hard to find, subtle faults which escape standard software engineering validation techniques and thus persist far into the software life cycle.

Campbell, Roy↗
NASA NTRS1985

Preliminary evaluation of a micro-based repeated measures testing system

A need exists for an automated performance test system to study the effects of various treatments which are of interest to the aerospace medical community, i.e., the effects of drugs and environmental stress. The ethics and pragmatics of such assessment demand that repeated measures in small groups of subjects be the customary research paradigm. Test stability, reliability-efficiency and factor structure take on extreme significance; in a program of study by the U.S. Navy, 80 percent of 150 tests failed to meet minimum metric requirements. The best is being programmed on a portable microprocessor and administered along with tests in their original formats in order to examine their metric properties in the computerized mode. Twenty subjects have been tested over four replications on a 6.0 minute computerized battery (six tests) and which compared with five paper and pencil marker tests. All tests achieved stability within the four test sessions, reliability-efficiencies were high (r greater than .707 for three minutes testing), and the computerized tests were largely comparable to the paper and pencil version from which they were derived. This computerized performance test system is portable, inexpensive and rugged.

Kennedy, Robert S.↗
DOE OSTI2018

Differential depth distribution of microbial function and putative symbionts through sediment-hosted aquifers in the deep terrestrial subsurface

An enormous diversity of previously unknown bacteria and archaea has been discovered recently, yet their functional capacities and distributions in the terrestrial subsurface remain uncertain. Here, we continually sampled a CO 2 -driven geyser (Colorado Plateau, Utah, USA) over its 5-day eruption cycle to test the hypothesis that stratified, sandstone-hosted aquifers sampled over three phases of the eruption cycle have microbial communities that differ both in membership and function. Genome-resolved metagenomics, single-cell genomics and geochemical analyses confirmed this hypothesis and linked microorganisms to groundwater compositions from different depths. Autotrophic Candidatus “Altiarchaeum sp.” and phylogenetically deep-branching nanoarchaea dominate the deepest groundwater. A nanoarchaeon with limited metabolic capacity is inferred to be a potential symbiont of the Ca. “Altiarchaeum”. Candidate Phyla Radiation bacteria are also present in the deepest groundwater and they are relatively abundant in water from intermediate depths. During the recovery phase of the geyser, microaerophilic Fe- and S-oxidizers have high in situ genome replication rates. Autotrophic Sulfurimonas sustained by aerobic sulfide oxidation and with the capacity for N 2 fixation dominate the shallow aquifer. Overall, 104 different phylum-level lineages are present in water from these subsurface environments, with uncultivated archaea and bacteria partitioned to the deeper subsurface.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

An automated multiplexed turbidometric and data collection system for measuring growth kinetics of anaerobes dependent on gaseous substrates

Standard methods of monitoring the growth kinetics of anaerobic microorganisms are generally impractical when there is a protracted or indeterminate period of active growth, and when high numbers of samples or replications are required. As part of our studies of the adaptive evolution of a simple anaerobic syntrophic mutualism, requiring the characterization of many isolates and alternative syntrophic pairings, here we developed a multiplexed growth monitoring system using a combination of commercially available electronics and custom designed circuitry and materials. This system automatically monitors up to 64 sealed, and as needed pressurized, culture tubes and reports the growth data in real-time through integration with a customized relational database. The utility of this system was demonstrated by resolving minor differences in growth kinetics associated with the adaptive evolution of a simple microbial community comprised of a sulfate reducing bacterium, Desulfovibrio vulgaris, grown in syntrophic association with Methanococcus maripaludis, a hydrogenotrophic methanogen.

59 BASIC BIOLOGICAL SCIENCES↗