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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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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Shear Thickening and Jamming of Dense Suspensions: The "Roll" of Friction.

Particle-based simulations of discontinuous shear thickening (DST) and shear jamming (SJ) suspensions are used to study the role of stress-activated constraints, with an emphasis on resistance to gearlike rolling. Rolling friction decreases the volume fraction required for DST and SJ, in quantitative agreement with real-life suspensions with adhesive surface chemistries and "rough" particle shapes. It sets a distinct structure of the frictional force network compared to only sliding friction, and from a dynamical perspective leads to an increase in the velocity correlation length, in part responsible for the increased viscosity. The physics of rolling friction is thus a key element in achieving a comprehensive understanding of strongly shear-thickening materials.

Singh, Abhinendra↗
DOE OSTI2024

Custom Accessors: Enabling Scalable Data Ingestion, (Re-)Organization, and Analysis on Distributed Systems

The emerging class of high velocity and high volume data analytic workflows comprise interwoven data ingestion, organization, and processing stages, with ingestion and organization steps often contributing comparable or even higher computational costs than actual processing steps. Since complex workflows consist of a variety of phases that view and use data differently, being able to construct efficient, scalable, distributed data structures (arrays, vectors, sets, maps, and multi-maps) is essential and requires custom methods to extend and shrink containers, analyze and position data, and, maintain globallyconsistent meta-data. In this paper, we propose a novel datastructure access paradigm based on the concept of Accessors. At a high level, accessors are customizable callable objects that can modify the behavior of insert, read, update, and delete operations for distributed containers while preserving atomicity guarantees. Accessors provide a very clean and natural way to implement a variety of programming patterns, e.g., conditional insertion/deletion and cascading computations, which would be otherwise hard (or even impossible) to express in parallel and distributed settings without using locks. We demonstrate the practicality and usefulness of our approach with two representative use cases and study the performance of these applications on a distributed High-Performance Computing system. Our analysis highlights that our proposed abstraction allows for an effective overlapping and concurrent execution of different workflow steps (e.g., data ingestion and analysis), which in a conventional analytics pipeline would execute sequentially, contributing cumulatively to the overall latency.

Castellana, Vito G. [BATTELLE (PACIFIC NW LAB)] (O↗
DOE OSTI2025

Nitrogen limitation causes a seismic shift in redox state and phosphorylation of proteins implicated in carbon flux and lipidome remodeling in Rhodotorula toruloides

Background: Oleaginous yeast are prodigious producers of oleochemicals, offering alternative and secure sources for applications in foodstuff, skincare, biofuels, and bioplastics. Nitrogen starvation is the primary strategy used to induce oil accumulation in oleaginous yeast as part of a global stress response. While research has demonstrated that post-translational modifications (PTMs), including phosphorylation and protein cysteine thiol oxidation (redox PTMs), are involved in signaling pathways that regulate stress responses in metazoa and algae, their role in oleaginous yeast remain understudied and unexplored. Results: Towards linking the yeast oleaginous phenotype to protein function, we integrated lipidomics, redox proteomics, and phosphoproteomics to investigate Rhodotorula toruloides under nitrogen-rich and starved conditions over time. Our lipidomics results unearthed interactions involving sphingolipids and cardiolipins with ER stress and mitophagy. Our redox and phosphoproteomics data highlighted the roles of the AMPK, TOR, and calcium signaling pathways in regulation of lipogenesis, autophagy, and oxidative stress response. As a first, we also demonstrated that lipogenic enzymes including fatty acid synthase are modified as a consequence of shifts in cellular redox states due to nutrient availability. Conclusions: We conclude that lipid accumulation is largely a consequence of carbon rerouting and autophagy governed by changes to PTMs, and not increases in the abundance of enzymes involved in central carbon metabolism and fatty acid biosynthesis. Our systems-level approach sets the stage for acquiring multidimensional data sets for protein structural modeling and predicting the functional relevance of PTMs using Artificial Intelligence/Machine Learning (AI/ML). Coupled to those bioinformatics approaches, the putative PTM switches that we delineate will enable advanced metabolic engineering strategies to decouple lipid accumulation from nitrogen limitation.

Lipid Signalling↗
DOE OSTI2021

Detection of significant antiviral drug effects on COVID-19 with reasonable sample sizes in randomized controlled trials: A modeling study

Development of an effective antiviral drug for Coronavirus Disease 2019 (COVID-19) is a global health priority. Although several candidate drugs have been identified through in vitro and in vivo models, consistent and compelling evidence from clinical studies is limited. The lack of evidence from clinical trials may stem in part from the imperfect design of the trials. We investigated how clinical trials for antivirals need to be designed, especially focusing on the sample size in randomized controlled trials. A modeling study was conducted to help understand the reasons behind inconsistent clinical trial findings and to design better clinical trials. We first analyzed longitudinal viral load data for Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) without antiviral treatment by use of a within-host virus dynamics model. The fitted viral load was categorized into 3 different groups by a clustering approach. Comparison of the estimated parameters showed that the 3 distinct groups were characterized by different virus decay rates (p-value < 0.001). The mean decay rates were 1.17 d -1 (95% CI: 1.06 to 1.27 d -1 ), 0.777 d -1 (0.716 to 0.838 d -1 ), and 0.450 d -1 (0.378 to 0.522 d -1 ) for the 3 groups, respectively. Such heterogeneity in virus dynamics could be a confounding variable if it is associated with treatment allocation in compassionate use programs (i.e., observational studies). Subsequently, we mimicked randomized controlled trials of antivirals by simulation. An antiviral effect causing a 95% to 99% reduction in viral replication was added to the model. To be realistic, we assumed that randomization and treatment are initiated with some time lag after symptom onset. Using the duration of virus shedding as an outcome, the sample size to detect a statistically significant mean difference between the treatment and placebo groups (1:1 allocation) was 13,603 and 11,670 (when the antiviral effect was 95% and 99%, respectively) per group if all patients are enrolled regardless of timing of randomization. The sample size was reduced to 584 and 458 (when the antiviral effect was 95% and 99%, respectively) if only patients who are treated within 1 day of symptom onset are enrolled. We confirmed the sample size was similarly reduced when using cumulative viral load in log scale as an outcome. We used a conventional virus dynamics model, which may not fully reflect the detailed mechanisms of viral dynamics of SARS-CoV-2. The model needs to be calibrated in terms of both parameter settings and model structure, which would yield more reliable sample size calculation. In this study, we found that estimated association in observational studies can be biased due to large heterogeneity in viral dynamics among infected individuals, and statistically significant effect in randomized controlled trials may be difficult to be detected due to small sample size. The sample size can be dramatically reduced by recruiting patients immediately after developing symptoms. We believe this is the first study investigated the study design of clinical trials for antiviral treatment using the viral dynamics model.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Position Papers for the ASCR Workshop on the Science of Scientific-Software Development and Use

Software is an increasingly important component in the pursuit of scientific discovery. Both its development and use are essential activities for many scientific teams. At the same time, very little scientific study has been conducted to understand, characterize, and improve the development and use of software for science. Computational science teams have diversified over time to include contributions from domain scientists who provide expertise in scientific and engineering disciplines, applied mathematicians and computer scientists who provide optimal algorithms and data structures, and software and data engineers who provide methodologies and tools adapted and adopted from other software domains. These diverse contributions have enabled tremendous advances in the pursuit of scientific discovery, even as models, computer architectures, and software environments have become more complicated. With this increasing diversity, we believe the next opportunity for qualitative improvement comes from applying the scientific method to understanding, characterizing, and improving how scientific software is developed and used. We believe that this pursuit requires expertise from computational scientists themselves, and from the cognitive and social sciences as well as the software engineering research community. As we look to increase the productivity and sustainability of the scientific-software-development-and-use cycle, a more systematic application of the scientific method to understand processes for software development and use will be a valuable tool to guide future work and result in more usable and sustainable software. This workshop will bring together computer scientists, software engineering researchers, computational scientists, applied mathematicians, social scientists, cognitive scientists, and others, to explore how we can conduct such systematic investigations, what can be learned, and how doing so will benefit the scientific enterprise. The workshop will be structured around a set of breakout sessions, with every attendee expected to participate actively in the discussions. Afterward, workshop attendees — from DOE, industry, and academia — will produce a report for ASCR that summarizes the findings of the workshop.

42 ENGINEERING↗
DOE OSTI2022

Mapping the Spatial Distribution of Fibrillar Polymorphs in Human Brain Tissue

Alzheimer’s disease (AD) is a neurodegenerative disorder defined by the progressive formation and spread of fibrillar aggregates of Aβ peptide and tau protein. Polymorphic forms of these aggregates may contribute to disease in varying ways since different neuropathologies appear to be associated with different sets of fibrillar structures and follow distinct pathological trajectories that elicit characteristic clinical phenotypes. The molecular mechanisms underlying the spread of these aggregates in disease may include nucleation, replication, and migration all of which could vary with polymorphic form, stage of disease, and region of brain. Given the linkage between mechanisms of progression and distribution of polymorphs, mapping the distribution of fibrillar structures in situ has the potential to discriminate between mechanisms of progression. However, the means of carrying out this mapping are limited. Optical microscopy lacks the resolution to discriminate between polymorphs in situ, and higher resolution tools such as ssNMR and cryoEM require the isolation of fibrils from tissue, destroying relevant spatial information. Here, we demonstrate the use of scanning x-ray microdiffraction (XMD) to map the locations of fibrillar polymorphs of Aβ peptides and tau protein in histological thin sections of human brain tissue. Coordinated examination of serial sections by immunohistochemistry was used to aid in the interpretation of scattering patterns and to put the observations in a broader anatomical context. Scattering from lesions in tissue shown to be rich in Aβ fibrils by immunohistochemistry exhibited scattering patterns with a prototypical 4.7 Å cross-β peak, and overall intensity distribution that compared well with that predicted from high resolution structures. Scattering from lesions in tissue with extensive tau pathology also exhibited a 4.7 Å cross-β peak but with intensity distributions that were distinct from those seen in Aβ-rich regions. In summary, these observations demonstrate that XMD is a rich source of information on the distribution of fibrillar polymorphs in diseased human brain tissue. When used in coordination with neuropathological examination it has the potential to provide novel insights into the molecular mechanisms underlying disease.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Tracking alternative versions of the galactose gene network in the genus Saccharomyces and their expansion after domestication

In this yeast, the study of trait variation at the population level led to the detection of distinct sets of GAL structural genes. Besides the reference version, present in most strains, alternative highly divergent alleles supporting faster growth on galactose were recently uncovered in strains associated with dairy products and also in some wild strains.

Genetics↗
NASA NTRS1973

Interactions among multiple lines in the 8446-A atomic-oxygen laser.

The atomic-oxygen laser oscillates at four closely spaced frequencies on the gain profile of the 8446-A fine-structure transitions. A set of experiments is reported which studies the competition among these four lines by suppressing one of them. The results are explained on the basis of the interaction of laser lines oscillating on Doppler-broadened transitions sharing a common lower level.

Domash, L. H.↗
NASA NTRS1979

Shuttle bay acoustics

Acoustic energy generated during Shuttle liftoff will propagate up the orbiter vehicle, transmit through the payload bay structure, and produce an intense acoustic field inside the bay with the potential for damaging relatively fragile payload components. This paper describes three experimental programs aimed at investigating Shuttle bay acoustics. The first two experiments, conducted in July 1976 and January 1977 respectively, were concerned primarily with establishing the noise reduction of the OV101 payload bay structure; the third set of experiments, carried out during April and May 1978, was concerned with the influence of payloads on the bay acoustic levels. Test results are summarized, and comparisons with analytical model predictions are presented.

Piersol, A. G.↗
NASA NTRS1981

Structural analysis of cylindrical thrust chambers, volume 3

A system of three computer programs is described for use in conjunction with the BOPAGE finite element program. The programs are demonstrated by analyzing cumulative plastic deformation in a regeneratively cooled rocket thrust chamber. The codes provide the capability to predict geometric and material nonlinear behavior of cyclically loaded structures without performing a cycle-by-cycle analysis over the life of the structure. The program set consists of a BOPACE restart tape reader routine, and extrapolation program and a plot package.

Pearson, M. L.↗
NASA NTRS1982

Ecological optimality in water-limited natural soil-vegetation systems. I - Theory and hypothesis

The solution space of an approximate statistical-dynamic model of the average annual water balance is explored with respect to the hydrologic parameters of both soil and vegetation. Within the accuracy of this model it is shown that water-limited natural vegetation systems are in stable equilibrium with their climatic and pedologic environments when the canopy density and species act to minimize average water demand stress. Theory shows a climatic limit to this equilibrium above which it is hypothesized that ecological pressure is toward maximization of biomass productivity. It is further hypothesized that natural soil-vegetation systems will develop gradually and synergistically, through vegetation-induced changes in soil structure, toward a set of hydraulic soil properties for which the minimum stress canopy density of a given species is maximum in a given climate. Using these hypotheses, only the soil effective porosity need be known to determine the optimum soil and vegetation parameters in a given climate.

Eagleson, P. S.↗
NASA NTRS1986

Theoretical research program to study chemical reactions in AOTV bow shock tubes

Progress in the development of computational methods for the characterization of chemical reactions in aerobraking orbit transfer vehicle (AOTV) propulsive flows is reported. Two main areas of code development were undertaken: (1) the implementation of CASSCF (complete active space self-consistent field) and SCF (self-consistent field) analytical first derivatives on the CRAY X-MP; and (2) the installation of the complete set of electronic structure codes on the CRAY 2. In the area of application calculations the main effort was devoted to performing full configuration-interaction calculations and using these results to benchmark other methods. Preprints describing some of the systems studied are included.

Taylor, P.↗
NASA NTRS1986

The X-ray properties of normal galaxies

X-ray observations with the Einstein satellite have shown that normal galaxies of all morphological types are spatially extended sources of X-ray emission with luminosities in the range of L(x) of about 10 to the 39th to 10 to the 41st erg/s. Although this is only a small fraction of the total energy output of a normal galaxy, X-ray observations are uniquely suited to study phenomena that are otherwise elusive. In X-rays one can study directly the end products of stellar evolution (SNRs and compact remnants). X-ray observations have led to the discovery of gaseous outflows linked to starburst nuclear activity in spiral galaxies and to the detection of a hot interstellar medium in early-type galaxies. Through X-ray observations it is possible to set constraints on structural galaxy parameters, such as the mass of elliptical galaxies, and perhaps get new insight on the origin of cosmic rays and the properties of the magnetic fields of spiral galaxies.

Fabbiano, G.↗
NASA NTRS1987

Stochastic and fractal analysis of fracture trajectories

Analyses of fracture trajectories are used to investigate structures that fall between 'micro' and 'macro' scales. It was shown that fracture trajectories belong to the class of nonstationary processes. It was also found that correlation distance, which may be related to a characteristic size of a fracture process, increases with crack length. An assemblage of crack trajectory processes may be considered as a diffusive process. Chudnovsky (1981-1985) introduced a 'crack diffusion coefficient' d which reflects the ability of the material to deviate the crack trajectory from the most energetically efficient path and thus links the material toughness to its structure. For the set of fracture trajectories in AISI 304 steel, d was found to be equal to 1.04 microns. The fractal dimension D for the same set of trajectories was found to be 1.133.

Bessendorf, Michael H.↗
NASA NTRS1988

Satellite/radiosonde comparison

Collocated measurements of radiosonde and TIROS Operational Vertical Sounder (TOVS) data are compared to determine whether significant latitudinal, seasonal, or instrumental biases exist. Long-wave structure determined by each system is being examined for correlation. Because U.S. radiosonde data are archived uncorrected, an effort to correct the measurements is being considered. These corrections will be applied to 7 years of measurements. New comparisons will then be made using corrected radiosonde and TOVS data. A regression method is used to retrieve temperatures, and radiosonde zonal means are used to update the regression coefficients. Preliminary results of auto-correlation analysis indicate that detection of long-wave structure in each set of data is slightly different with some levels and locations experiencing different wave periods or amplitudes. Scatter diagrams and linear regression for each layer show bias in the mean temperatures. Winter-time measurements show poorer correlations due to noisy measurements.

Schmidlin, F. J.↗
NASA NTRS1990

Distribution of tessera terrain on Venus - Prediction for Magellan

Tessera terrain is the dominant tectonic unit in the northern hemisphere of Venus and is characterized by complex sets of intersecting structural trends and distinctive radar properties due to a high degree of meter and sub-meter scale (5 cm to 10 m) roughness. Based on these distinctive radar properties, a prediction of the global distribution of tessera can be made using Pioneer Venus (PV) reflectivity and roughness data. Where available, Benera 15/16 and Arecibo images and PV diffuse scattering data were used to evaluate the prediction. From this assessment, it is concluded that most of the regions with prediction values greater than 0.6 (out of 1) are likely to be tessera, and are almost certain to be techonically deformed.

Bindschadler, D. L.↗