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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Agent-based modeling of microbes in space

Space is tough on organisms. Microorganisms traveling to space experience stress from environmental features such as ionizing radiation and lack of normal microgravity; however, much remains unknown about the mechanisms by which those environmental features affect microbial physiology. Microbes experience changes in gravity not directly but rather through changes in their fluid environment, and deep-space particle radiation causes cell damage that is complex but rare. Computational modeling at the single-cell level (agent-based modeling) can allow us to probe the spatially heterogeneous processes that characterize space stresses, to gain insight into the relationships of microbial cells with their environments and with each other. Here we present two software packages for simulating microbial population dynamics in space conditions: CAMDLES and AMMPER. Microbes growing in liquid culture medium in the microgravity of an orbital space station experience a quiescent, poorly-mixed fluid environment. CAMDLES (CFD-DEM Artificial Microgravity Developments for Living Ecosystem Simulation) simultaneously simulates biological, chemical, and mechanical processes to predict microbial ecological dynamics in microgravity, and in the rotating culture vessels used to create an artificial microgravity environment in the lab. Initial results demonstrate that the growth of a cross-feeding microbial consortium, dependent on the exchange of soluble metabolites, is sensitive to the initial spatial distribution of cells, and grows differently in real versus artificial microgravity. Microbial populations exposed to deep-space radiation experience spatially and temporally heterogeneous damage from the traversal of high-energy particles. AMMPER (Agent-Based Model for Microbial Populations Exposed to Radiation) pairs a 3d model of energy deposition along a radiation particle track with a microbial population growth and damage model to predict the effects of localized radiation damage on population-level responses. It includes a user-friendly graphical interface. AMMPER results agree with experimental data indicating that indirect effects of radiation (reactive oxygen species generation, metabolic impairment) have a greater impact on microorganisms than direct effects (DNA damage).

Jessica A Lee↗
NASA NTRS2022

Agent-Based Modeling of Microbes in Space

Space is tough on organisms. Microorganisms traveling to space experience stress from environmental features such as ionizing radiation and lack of normal gravity, and much remains unknown about the mechanisms by which those environmental features affect microbial physiology. Microbes experience changes in gravity not directly but rather through changes in their fluid environment, and deep-space particle radiation causes cell damage that is complex but rare. Computational modeling at the single-cell level (agent-based modeling) can allow us to probe the spatially heterogeneous processes that characterize space stresses, to gain insight into the relationships of microbial cells with their environments and with each other. Here we present two software packages for simulating microbial population dynamics in space conditions: CAMDLES and AMMPER. Microbes growing in liquid culture medium in the microgravity of an orbital space station experience a quiescent, poorly-mixed fluid environment. CAMDLES (CFD-DEM Artificial Microgravity Developments for Living Ecosystem Simulation) simultaneously simulates biological, chemical, and mechanical processes to predict microbial ecological dynamics in microgravity, and in the rotating culture vessels used to create an artificial microgravity environment in the lab. Initial results demonstrate that the growth of a cross-feeding microbial consortium, dependent on the exchange of soluble metabolites, is sensitive to the initial spatial distribution of cells, and grows differently in real versus artificial microgravity. Microbial populations exposed to deep-space radiation experience spatially and temporally heterogeneous damage from the traversal of high-energy particles. AMMPER (Agent-Based Model for Microbial Populations Exposed to Radiation) pairs a 3d model of energy deposition along a radiation particle track with a microbial population growth and damage model to predict the effects of localized radiation damage on population-level responses. It includes a user-friendly graphical interface. AMMPER growth curves recapitulate experimental results, and allow comparison between direct effects (DNA damage) and indirect effects (reactive oxygen species generation, metabolic impairment) of radiation.

microbiology↗
DOE OSTI2024

In Situ Determination of Thermoelastic Properties of Magnesite at High Pressure and Temperature With Implications to Seismic Detectability of Moderately Carbonated Lithologies in the Earth's Mantle

Abstract Subduction of carbonate‐bearing oceanic plates into Earth's interior recycles carbon from the surface to the deep mantle. The subducted carbonates can significantly affect mantle properties and dynamics. Magnesite is recognized as one of the major potential carbon hosts in the deep mantle because of its stability up to deep lower mantle conditions. However, despite many previous studies on the equation of state and elastic properties of magnesite, large discrepancies still exist for its elastic moduli and their pressure and temperature derivatives. Here we report in situ density and elastic wave velocity measurements on a natural magnesite at simultaneous high pressure‐temperature conditions up to ∼8 GPa–1073 K in a multi‐anvil apparatus using ultrasonic and synchrotron X‐ray techniques. Global fitting of the data set to finite strain equations yieldsK S0 = 114.0 ± 1.2 GPa, = 4.9 ± 0.3, = (−0.019 ± 0.002) GPa/K,G 0 = 68.6 ± 0.4 GPa,G′ = 1.6 ± 0.1, and = (−0.018 ± 0.001) GPa/K. Compared to other major upper mantle and transition zone minerals, magnesite has intermediateV P , the lowestV S , and the lowest density. Thus, magnesite possesses higherV P /V S ratio than other mantle minerals in normal mantle regions, whereas this feature is less pronounced in subduction zone environments. Modeling of the velocity profiles of carbonated lithologies along different geotherms suggests that moderately‐enriched magnesite domains are unlikely to be detected seismically in the Earth's mantle.

Geochemistry & Geophysics↗
DOE OSTI2024

Distance preserving machine learning for uncertainty aware accelerator capacitance predictions

Abstract Accurate uncertainty estimations are essential for producing reliable machine learning models, especially in safety-critical applications such as accelerator systems. Gaussian process models are generally regarded as the gold standard for this task; however, they can struggle with large, high-dimensional datasets. Combining deep neural networks with Gaussian process approximation techniques has shown promising results, but dimensionality reduction through standard deep neural network layers is not guaranteed to maintain the distance information necessary for Gaussian process models. We build on previous work by comparing the use of the singular value decomposition against a spectral-normalized dense layer as a feature extractor for a deep neural Gaussian process approximation model and apply it to a capacitance prediction problem for the High Voltage Converter Modulators in the Oak Ridge Spallation Neutron Source. Our model shows improved distance preservation and predicts in-distribution capacitance values with less than 1% error.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Transient gap generation in BaFe2As2 driven by coherent lattice vibrations

Abstract Iron-based superconductors provide a rich platform to investigate the interplay between unconventional superconductivity, nematicity, and magnetism. The electronic structure and the magnetic properties of iron-based superconductors are highly sensitive to the pnictogen height. Coherent excitation of the A1g phonon by femtosecond laser directly modulates the pnictogen height, which has been used to control the physical properties of iron-based superconductors. Previous studies show that the driven A1g phonon resulted in a transient increase of the pnictogen height in BaFe2As2, favoring an enhanced Fe magnetic moment. However, there are no direct observations on either the enhanced Fe magnetic moments or the enhanced spin-density wave (SDW) gap. Here, we use time-resolved broadband terahertz spectroscopy to investigate the dynamics of BaFe2As2 in the A1g phonon-driven state. Below the SDW transition temperature, we observe a transient gap generation at early-time delays. A similar transient feature is observed in the normal state up to room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1975

Manifestations and possible sources of lunar transient phenomena /LTP/

An observing program designed to monitor sites of lunar transient phenomena (LTP) is discussed in the context of the distribution of LTP sites and possible sources of the events. It is noted that the distribution of LTP sites shows a strong preference for the edges of maria and a paucity in the north and south highlands, suggesting a relationship with dark smooth material known to be volcanic and implying internal activity at the sites. The observing program, which is aimed at those LTP described as brightenings, has been conducted to determine the normal brightness of each observed feature for all phases of a lunation and to establish a quantified 'seeing' scale. The procedure for establishing the albedo scale of a given feature is outlined, and some observations of the crater Dawes are analyzed as an example.

Cameron, W. S.↗
NASA NTRS1982

S IV emission-line ratios in the sun

New atomic data are presented for transitions between the five lowest levels in S IV, taking into account the fine-structure rates between the individual J levels together with the electron impact mixing rates within the levels. The values are found to differ significantly from previously published values. Using the atomic data, ionic level populations are deduced for a range of electron temperatures and densities. The results are used to calculate theoretical line intensity ratios for S IV. Excellent agreement is found with intensity ratios for a variety of solar features observed with the NRL normal incidence spectrograph on Skylab.

Dufton, P. L.↗
NASA NTRS1982

Forced, stationary waves in a linear, stratified, quasi-geostrophic atmosphere

A finite difference model and an approximate WKB analysis were employed to test the validity of three of the Smagorinsky conclusions (1953) regarding the influence of diabatic heating upon the resultant stationary eddies. The conclusions comprised a necessity of including surface friction to avoid resonance, to account for stratospheric influence to accurately estimate the magnitude of the disturbances in the upper third of the troposphere, and the adequacy of the linear model for describing the gross features of sea-level normals at middle and high latitudes. Results of the WKB analysis of the effects of orography and diabatic heating demonstrate that streamfunctions are produced when orography forces a stationary solution. The surface friction is concluded to have a negligible effect on the solutions when the wind speeds are low. The solutions, however, require the presence of a lid for the middle troposphere to eliminate resonance responses.

Roads, J. O.↗
NASA NTRS1982

A comparative study of monocot and dicot root development in normal /earth/ and hypogravity /space/ environments

The anatomy and fine structure of roots from oat and mung bean seedlings grown under hypogravity conditions aboard NASA's Space Shuttle were examined and compared to those of roots from ground control plants grown under similar conditions. Oat roots from both sets of plants exhibited normal tissue organization and ultrastructural features, with the exception of cortex cell mitochondria, which characteristically showed a 'swollen' morphology. Flight-grown mung bean roots differed significantly from the controls in that root cap cells were somewhat disorganized and degraded in appearance, especially at the cap periphery. At the EM level, these cells exhibited a loss organelle integrity and a condensed cytoplasm. The potential significance of this finding for the putative gravity-sensing cap cells were noted.

Slocum, R. D.↗
NASA NTRS1984

Non-steady State Effects in EHL

A number of lubricated machine elements are subjected to cyclic variations of load and speed, particularly in reciprocating machinery. It is well known that squeeze-film action plays an important role in preserving satisfactory lubricating films in many cases in which the entraining velocities fall to zero during each cycle, as in the reciprocating seal and synovial joints. The essential features of combined 'entraining' and 'normal' motion are described for both hydrodynamic and elastohydrodynamic conditions. It is shown that very small squeeze-film velocities (W), or order (h(sub o)/l)U, can lead to substantial hydrodynamic action. A brief review of previous studies of squeeze-film lubrication between spheres or cylinders and a plane is followed by reference to a recent analysis of ankle joint lubrication. It is then shown that elastohydrodynamic lubrication might be encountered in the conjunction between a piston ring and cylinder liner and that in such cases combined entraining and squeeze-film action is important. Analysis of a 2-stroke Diesel engine shows that variations in squeeze-film velocity throughout the conjunction, associated with time rates of change of elastic deformation, must be considered in a full elastohydrodynamic lubrication analysis.

Duncan Dowson↗
NASA NTRS1987

X-ray halos in galaxies and clusters of galaxies - Theory

X-ray measurements provide an excellent method to determine the amount and distribution of the dark matter in clusters. Unfortunately, accurate temperature profiles, necessary to this method, are currently not available. However, if the intracluster gas is assumed to have a monotonically decreasing temperature, one finds that the dark matter is strongly concentrated to the cluster center, and has a mass which only exceeds the known baryonic mass by a factor of about three. On a second topic, cooling flows are shown to be a very common feature of cluster central and normal elliptical galaxies. The cooling gas is probably ultimately converted into low mass stars.

Sarazin, Craig L.↗
NASA NTRS1997

Atmospheric Angular Momentum Fluctuations During 1979-1988 Simulated by Global Circulation Models

Changes in major global dynamical phenomena in the Earth's atmosphere are manifested in the time series of atmospheric angular momentum (AAM), as determined directly from meteorological observations and indirectly from geodetic observations of small fluctuations in the rotation of the solid Earth which are proportional to length of day. AAM fluctuations are intimately linked with energetic processes throughout the whole atmosphere and also with the stresses at the Earth's surface produced largely by turbulent momentum transport in the oceanic and continental boundary layers and by the action of normal pressure forces on orographic features. A stringent test of any numerical global circulation model (GCM) is therefore provided by a quantitative assessment of its ability to represent AAM fluctuations on all relevant timescales, ranging from months to several years. From monthly data provided by the Atmospheric Model Intercomparison Project (AMIP) of the World Climate Research Programme, we have investigated seasonal and interannual fluctuations and the decadal mean in the axial component of AAM in 23 AMIP GCMs over the period 1979-1988. The decadal means are generally well simulated, with the model median value (1.58 x 10(exp 26) kg sq m/s) being only 3.5% larger than the observed mean and with 10 of the models being within 5% of the observed. The seasonal cycle is well reproduced, with the median amplitude of the models seasonal standard deviations being only 2.4% larger than observed. Half the seasonal amplitudes lie within 15% of the observed, and the median correlation found between the observed and model seasonal cycles is 0.95. The dominant seasonal error is an underestimation of AAM during northern hemisphere winter associated with errors in the position of subtropical jets. Less robust are the modeled interannual variations, although the median correlation of 0.61 between model simulations and observed AAM is statistically significant. The two El Nino-Southem Oscillation events that occurred during the AMIP decade 1979-1988 have the expected positive AAM anomalies, although the AAM signature of the 1982-1983 event tends to be underestimated and that of the 1986-1987 event overestimated.

Hide, R.↗
NASA NTRS1997

Atmospheric Angular Momentum Fluctuations During 1979-1988 Simulated by Global Circulation Models

Changes in major global dynamical phenomena in the Earth's atmosphere are manifested in the time series of atmospheric angular momentum (AAM), as determined directly from meteorological observations and indirectly from geodetic observations of small fluctuations in the rotation of the solid Earth which are proportional to length of day. AAM fluctuations are intimately linked with energetic processes throughout the whole atmosphere and also with the stresses at the Earth's surface produced largely by turbulent momentum transport in the oceanic and continental boundary layers and by the action of normal pressure forces on orographic features. A stringent test of any numerical global circulation model (GCM) is therefore provided by a quantitative assessment of its ability to represent AAM fluctuations on all relevant timescales, ranging from months to several years. From monthly data provided by the Atmospheric Model Intercomparison Project (AMIP) of the World Climate Research Programme, we have investigated seasonal and interannual fluctuations and the decadal mean in the axial component of AAM in 23 AMIP GCMs over the period 1979-1 988. The decadal means are generally well simulated, with the model median value (1.58 x 10(exp 26) kg sq m/s) being only 3.5% larger than the observed mean and with 10 of the models being within 5% of the observed. The seasonal cycle is well reproduced, with the median amplitude of the models' seasonal standard deviations being only 2.4% larger than observed. Half the seasonal amplitudes lie within 15% of the observed, and the median correlation found between the observed and model seasonal cycles is 0.95. The dominant seasonal error is an under- estimation of AAM during northern hemisphere winter associated with errors in the position of subtropical jets. Less robust are the modeled interannual variations, although the median correlation of 0.61 between model simulations and observed AAM is statistically significant. The two El Nino-Southern Oscillation events that occurred during the AMIP decade 1979-1988 have the expected positive AAM anomalies, although the AAM signature of the 1982-1983 event tends to be underestimated and that of the 1986-1987 event overestimated.

Hide, R.↗
DOE OSTI2021

Towards Efficient Uncertainty estimation in deep learning for robust energy prediction in crystal materials

In material science, recent studies have started to explore the potential of using deep learning to improve property prediction from high-fidelity simulations, e.g, density functional theory (DFT). However, the design spaces are sometimes too large and intractable to sample completely. This results in a critical question that is how to evaluate the confidence and robustness of the prediction. In this paper, we propose an efficient approach to estimate uncertainty in deep learning using a single forward pass and then apply it for robust prediction of the total energy in crystal lattice structures. Our approach is built upon the deep kernel learning (DKL) that originally introduces to leverage the expressiveness of deep neural networks as input with a probabilistic prediction of Gaussian processes (GPs) as output. Existing DKL methods have difficulties in the accuracy of predictive uncertainty, training stability, and scaling to large datasets, which lead to significant barriers in real-world applications. We propose to address these challenges by using an inducing point approximate GP in feature space combined with spectral normalization as a regularization. We finally demonstrate our robust performance on an artificial example and a real-world application from materials chemistry.

Bi, Sirui↗
DOE OSTI1975

Nuclear Safety [Vol. 16, No. 1, January-February 1975]

Nuclear Safety covers significant developments in the field of nuclear safety. The scope is limited to topics relevant to the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, safety considerations in regard to the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 1 AEC Working Paper on Population Density Around Nuclear Power-Plant Sites Adapted by J. Ft. Buchanan, 8 Water-Reactor Safety-Research Information Meeting by Wm. B. Cottrell, D. O. Hobson, and G. D. Whitman; ACCIDENT ANALYSIS: 29 Burnout in Boiling Heat Transfer. Part I: Pool-Boiling Systems by A. E. Bergles; PLANT SAFETY FEATURES: 43 Radionuclide Behavior During Normal Operation of Liquid-Metal-Cooled Fast Breeder Reactors. Part 1: Production by C. A. Erdman and A. B. Reynolds; CONSEQUENCES OF EFFLUENT RELEASE: 60 The Control, Monitoring, and Reporting of Radioactivity in Effluents. Part 1: AEC-Owned Facilities by M. B. Biles and F. E. Coffman, 71 The Control, Monitoring, and Reporting of Radioactivity in Effluents. Part 2: AEC-Licensed Facilities by L. B. Higginbotham and J. T. Collins; OPERATING EXPERIENCES: 76 Incident at the Lucens Reactor by J. M. Miller, 79 IAEA Symposium on Experience from Operating and Fueling of Nuclear Power Reactors by William A. Pryor, 87 Recent Occurrences at Nuclear Reactors and Their Causes Compiled by William R. Casto, 98 Summary of Operating U. S. Power Reactors as of Nov. 1. 1974, 101 Selected Safety-Related Occurrences Reported in September and October 1974 Compiled by William R. Casto; CURRENT EVENTS: 104 General Administrative Activities Compiled by Wm. B. Cottrell, 110 Action on Power-Reactor Projects Undergoing Regulatory Review or Consideration Compiled by Wm. B. Cottrell, 119 Action on Nonreactor Projects Undergoing Regulatory Review or Consideration Compiled by Wm. B. Cottrell, 121 Proposed Rule Changes as of Oct. 31, 1974; MISCELLANY: 97 ASTM—Euratom Symposium on Radiation Dosimetry: Developments and Standardization (Announcement), 118 Workshops on In-Pile Filter Testing (Announcement), 119 IAEA Symposium on Radiological Impacts from Releases from Nuclear Facilities into Aquatic Environments (Announcement).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Superconducting and spin-wave orders in Ba 0.6 ⁢K 0.4⁢ Fe 2⁢ As 2 probed by point contact spectroscopy

The doping dependent phase diagram of the iron pnictide systems displays diverse electronic ground states including unconventional superconductivity and magnetic ordering. From previous bulk measurements, it was argued that the superconducting phase of Ba 1-x K x Fe 2 As 2 might be described within a two band formalism where superconductivity emerges with significantly different magnitudes of the pairing amplitude in the different bands. Here, we have performed point contact Andreev reflection spectroscopy on the optimally doped system (x = 0.4) where we found features that misleadingly mimic the signature of multiple gap amplitudes with large energy difference, when the point contacts are away from the ballistic regime. Closer to the ballistic regime, we found two types of spectra. In one type, a single superconducting gap with unusual broadening was found. The broadening might be due to the presence of multiple gap amplitudes with small energy spacing. The other kind of spectra displayed spectral features at ~ 30 meV in the normal state that gradually diminished with increasing temperature and eventually disappeared at 140 K, the spin density wave transition temperature of parent BaFe 2 As 2 . We attribute the 30 meV spectral feature to a characteristic electron-magnon interaction energy scale in the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1981

Maximum likelihood clustering with dependent feature trees

The decomposition of mixture density of the data into its normal component densities is considered. The densities are approximated with first order dependent feature trees using criteria of mutual information and distance measures. Expressions are presented for the criteria when the densities are Gaussian. By defining different typs of nodes in a general dependent feature tree, maximum likelihood equations are developed for the estimation of parameters using fixed point iterations. The field structure of the data is also taken into account in developing maximum likelihood equations. Experimental results from the processing of remotely sensed multispectral scanner imagery data are included.

Chittineni, C. B.↗
NASA NTRS2004

Validation of an Impedance Education Method in Flow

This paper reports results of a research effort to validate a method for educing the normal incidence impedance of a locally reacting liner, located in a grazing incidence, nonprogressive acoustic wave environment with flow. The results presented in this paper test the ability of the method to reproduce the measured normal incidence impedance of a solid steel plate and two soft test liners in a uniform flow. The test liners are known to be locally react- ing and exhibit no measurable amplitude-dependent impedance nonlinearities or flow effects. Baseline impedance spectra for these liners were therefore established from measurements in a conventional normal incidence impedance tube. A key feature of the method is the expansion of the unknown impedance function as a piecewise continuous polynomial with undetermined coefficients. Stewart's adaptation of the Davidon-Fletcher-Powell optimization algorithm is used to educe the normal incidence impedance at each Mach number by optimizing an objective function. The method is shown to reproduce the measured normal incidence impedance spectrum for each of the test liners, thus validating its usefulness for determining the normal incidence impedance of test liners for a broad range of source frequencies and flow Mach numbers. Nomenclature

Watson, Willie R.↗