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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Analytic Modeling of Pressurization and Cryogenic Propellant

An analytic model for pressurization and cryogenic propellant conditions during all mission phases of any liquid rocket based vehicle has been developed and validated. The model assumes the propellant tanks to be divided into five nodes and also implements an empirical correlation for liquid stratification if desired. The five nodes include a tank wall node exposed to ullage gas, an ullage gas node, a saturated propellant vapor node at the liquid-vapor interface, a liquid node, and a tank wall node exposed to liquid. The conservation equations of mass and energy are then applied across all the node boundaries and, with the use of perfect gas assumptions, explicit solutions for ullage and liquid conditions are derived. All fluid properties are updated real time using NIST Refprop.1 Further, mass transfer at the liquid-vapor interface is included in the form of evaporation, bulk boiling of liquid propellant, and condensation given the appropriate conditions for each. Model validation has proven highly successful against previous analytic models and various Saturn era test data and reasonably successful against more recent LH2 tank self pressurization ground test data. Finally, this model has been applied to numerous design iterations for the Altair Lunar Lander, Ares V Core Stage, and Ares V Earth Departure Stage in order to characterize Helium and autogenous pressurant requirements, propellant lost to evaporation and thermodynamic venting to maintain propellant conditions, and non-uniform tank draining in configurations utilizing multiple LH2 or LO2 propellant tanks. In conclusion, this model provides an accurate and efficient means of analyzing multiple design configurations for any cryogenic propellant tank in launch, low-acceleration coast, or in-space maneuvering and supplies the user with pressurization requirements, unusable propellants from evaporation and liquid stratification, and general ullage gas, liquid, and tank wall conditions as functions of time.

Corpening, Jeremy H.↗
DOE OSTI2026

NuGraph2 with context-aware inputs: physics-inspired improvements in semantic segmentation

Graph neural networks have recently shown strong promise for event reconstruction tasks in Liquid Argon Time Projection Chambers, yet their performance remains limited for underrepresented classes of particles, such as Michel electrons. In this work, we investigate physics-informed strategies to improve semantic segmentation within the NuGraph2 architecture. We explore three complementary approaches: (i) enriching the input representation with context-aware features derived from detector geometry and track continuity, (ii) introducing auxiliary decoders to capture class-level correlations, and (iii) incorporating energy-based regularization terms motivated by Michel electron energy distributions. Experiments on MicroBooNE public datasets show that physics-inspired feature augmentation yields the largest gains, particularly boosting Michel electron precision and recall by disentangling overlapping latent space regions. In contrast, auxiliary decoders and energy-regularization terms provided limited improvements, partly due to the hit-level nature of NuGraph2, which lacks explicit particle- or event-level representations. Our findings highlight that embedding physics context directly into node-level inputs is more effective than imposing task-specific auxiliary losses, and suggest that future hierarchical architectures such as NuGraph3, with explicit particle- and event-level reasoning, will provide a more natural setting for advanced decoders and physics-based regularization. The code for this work is publicly available on Github at https://github.com/vitorgrizzi/nugraph_phys/tree/main_phys.

Other Experiments↗
NASA NTRS1988

IUE's legacy for the future: The final archive and goals for its implementation

Requirements for the IUE archive, and how the signal/noise (S/N) ratio in photometrically corrected images can be enhanced considerably by cross-correlating the fixed pattern in a data image with that in a suitable flat-field image are described. From these cross-correlations it is feasible to derive an accurate geometrical correction to apply to the data image before applying the intensity transfer functions. The standard IUE processing software does not generate a sufficiently accurate geometric correction so that typical spatial errors of 1 to 2 pixels conspire with the large fixed pattern in raw images to produce significant misregistration noise. Tests on flat-field images demonstrate that an explicit geometric correction procedure can avoid most of the misregistration noise and can thereby improve the S/N ratio of IUE data by factors of 1.5 to 2.4.

Linsky, J. L.↗
NASA NTRS1999

Angular and Seasonal Variation of Spectral Surface Reflectance Ratios: Implications for the Remote Sensing of Aerosol over Land

We obtain valuable information on the angular and seasonal variability of surface reflectance using a hand-held spectrometer from a light aircraft. The data is used to test a procedure that allows us to estimate visible surface reflectance from the longer wavelength 2.1 micrometer channel (mid-IR). Estimating or avoiding surface reflectance in the visible is a vital first step in most algorithms that retrieve aerosol optical thickness over land targets. The data indicate that specular reflection found when viewing targets from the forward direction can severely corrupt the relationships between the visible and 2.1 micrometer reflectance that were derived from nadir data. There is a month by month variation in the ratios between the visible and the mid-IR, weakly correlated to the Normalized Difference Vegetation Index (NDVI). If specular reflection is not avoided, the errors resulting from estimating surface reflectance from the mid-IR exceed the acceptable limit of DELTA-rho approximately 0.01 in roughly 40% of the cases, using the current algorithm. This is reduced to 25% of the cases if specular reflection is avoided. An alternative method that uses path radiance rather than explicitly estimating visible surface reflectance results in similar errors. The two methods have different strengths and weaknesses that require further study.

Remer, L. A.↗
DOE OSTI2015

Conformation of ionizable poly Para phenylene ethynylene in dilute solutions

The conformation of dinonyl poly para phenylene ethynylenes (PPEs) with carboxylate side chains, equilibrated in solvents of different quality is studied using molecular dynamics simulations. PPEs are of interest because of their tunable electro-optical properties, chemical diversity, and functionality which are essential in wide range of applications. The polymer conformation determines the conjugation length and their assembly mode and affects electro-optical properties which are critical in their current and potential uses. The current study investigates the effect of carboxylate fraction on PPEs side chains on the conformation of chains in the dilute limit, in solvents of different quality. The dinonyl PPE chains are modeled atomistically, where the solvents are modeled both implicitly and explicitly. Dinonyl PPEs maintained a stretched out conformation up to a carboxylate fraction f of 0.7 in all solvents studied. The nonyl side chains are extended and oriented away from the PPE backbone in toluene and in implicit good solvent whereas in water and implicit poor solvent, the nonyl side chains are collapsed towards the PPE backbone. Thus, rotation around the aromatic ring is fast and no long range correlations are seen within the backbone.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Systematic renormalization of the effective theory of Large Scale Structure

A perturbative description of Large Scale Structure is a cornerstone of our understanding of the observed distribution of matter in the universe. Renormalization is an essential and defining step to make this description physical and predictive. Here we introduce a systematic renormalization procedure, which neatly associates counterterms to the UV-sensitive diagrams order by order, as it is commonly done in quantum field theory. As a concrete example, we renormalize the one-loop power spectrum and bispectrum of both density and velocity. In addition, we present a series of results that are valid to all orders in perturbation theory. First, we show that while systematic renormalization requires temporally non-local counterterms, in practice one can use an equivalent basis made of local operators. We give an explicit prescription to generate all counterterms allowed by the symmetries. Second, we present a formal proof of the well-known general argument that the contribution of short distance perturbations to large scale density contrast δ and momentum density π(k) scale as k{sup 2} and k, respectively. Third, we demonstrate that the common practice of introducing counterterms only in the Euler equation when one is interested in correlators of δ is indeed valid to all orders.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Emulating ab initio computations of infinite nucleonic matter

We construct efficient emulators for the computation of the infinite nuclear matter equation of state. These emulators are based on the subspace-projected coupled-cluster method for which we here develop a new algorithm called small-batch voting to eliminate spurious states that might appear when emulating quantum many-body methods based on a non-Hermitian Hamiltonian. The efficiency and accuracy of these emulators facilitate a rigorous statistical analysis within which we explore nuclear matter predictions for > 10 6 different parametrizations of a chiral interaction model with explicit Δ -isobars at next-to-next-to leading order. Constrained by nucleon-nucleon scattering phase shifts and bound-state observables of light nuclei up to He 4 , we use history matching to identify nonimplausible domains for the low-energy coupling constants of the chiral interaction. Within these domains we perform a Bayesian analysis using sampling and importance resampling with different likelihood calibrations and study correlations between interaction parameters, calibration observables in light nuclei, and nuclear matter saturation properties. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Computational Identification of Diverse Mechanisms Underlying Transcription Factor-DNA Occupancy

ChIP-based genome-wide assays of transcription factor (TF) occupancy have emerged as a powerful, high-throughput method to understand transcriptional regulation, especially on a global scale. This has led to great interest in the underlying biochemical mechanisms that direct TF-DNA binding, with the ultimate goal of computationally predicting a TF’s occupancy profile in any cellular condition. In this study, we examined the influence of various potential determinants of TF-DNA binding on a much larger scale than previously undertaken. We used a thermodynamics-based model of TF-DNA binding, called ‘‘STAP,’’ to analyze 45 TF-ChIP data sets from Drosophila embryonic development. We built a cross-validation framework that compares a baseline model, based on the ChIP’ed (‘‘primary’’) TF’s motif, to more complex models where binding by secondary TFs is hypothesized to influence the primary TF’s occupancy. Candidates interacting TFs were chosen based on RNA-SEQ expression data from the time point of the ChIP experiment. We found widespread evidence of both cooperative and antagonistic effects by secondary TFs, and explicitly quantified these effects. We were able to identify multiple classes of interactions, including (1) long-range interactions between primary and secondary motifs (separated by #150 bp), suggestive of indirect effects such as chromatin remodeling, (2) short-range interactions with specific inter-site spacing biases, suggestive of direct physical interactions, and (3) overlapping binding sites suggesting competitive binding. Furthermore, by factoring out the previously reported strong correlation between TF occupancy and DNA accessibility, we were able to categorize the effects into those that are likely to be mediated by the secondary TF’s effect on local accessibility and those that utilize accessibility-independent mechanisms. Finally, we conducted in vitro pull-down assays to test model-based predictions of short-range cooperative interactions, and found that seven of the eight TF pairs tested physically interact and that some of these interactions mediate cooperative binding to DNA.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2017

Finite Element Simulation of Three Full-Scale Crash Tests for Cessna 172 Aircraft

The NASA Emergency Locator Transmitter Survivability and Reliability (ELT-SAR) project was initiated in 2013 to assess the crash performance standards for the next generation of emergency locator transmitter (ELT) systems. Three Cessna 172 aircraft were acquired to perform crash testing at NASA Langley Research Center's Landing and Impact Research Facility. Full-scale crash tests were conducted in the summer of 2015 and each test article was subjected to severe, but survivable, impact conditions including a flare-to-stall during emergency landing, and two controlled-flight-into-terrain scenarios. Full-scale finite element analyses were performed using a commercial explicit solver, ABAQUS. The first test simulated impacting a concrete surface represented analytically by a rigid plane. Tests 2 and 3 simulated impacting a dirt surface represented analytically by an Eulerian grid of brick elements using a Mohr-Coulomb material model. The objective of this paper is to summarize the test and analysis results for the three full-scale crash tests. Simulation models of the airframe which correlate well with the tests are needed for future studies of alternate ELT mounting configurations.

Mason, Brian H.↗
DOE OSTI2024

Difference equations and integral families for Witten diagrams

We show that tree-level and one-loop Mellin space correlators in anti-de Sitter space obey certain difference equations, which are the direct analog to the differential equations for Feynman loop integrals in the flat space. Finite-difference relations, which we refer to as “summation-by-parts relations”, in parallel with the integration-by-parts relations for Feynman loop integrals, are derived to reduce the integrals to a basis. We illustrate the general methodology by explicitly deriving the difference equations and summation-by-parts relations for various tree-level and one-loop Witten diagrams up to the four-point bubble level.

AdS-CFT Correspondence↗
DOE OSTI2015

Fermi orbital derivatives in self-interaction corrected density functional theory: Applications to closed shell atoms

A recent modification of the Perdew-Zunger self-interaction-correction to the density-functional formalism has provided a framework for explicitly restoring unitary invariance to the expression for the total energy. The formalism depends upon construction of Löwdin orthonormalized Fermi-orbitals which parametrically depend on variational quasi-classical electronic positions. Derivatives of these quasi-classical electronic positions, required for efficient minimization of the self-interaction corrected energy, are derived and tested, here, on atoms. Total energies and ionization energies in closed-shell singlet atoms, where correlation is less important, using the Perdew-Wang 1992 Local Density Approximation (PW92) functional, are in good agreement with experiment and non-relativistic quantum-Monte-Carlo results albeit slightly too low.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

flowVS: channel-specific variance stabilization in flow cytometry

Abstract Background Comparing phenotypes of heterogeneous cell populations from multiple biological conditions is at the heart of scientific discovery based on flow cytometry (FC). When the biological signal is measured by the average expression of a biomarker, standard statistical methods require that variance be approximately stabilized in populations to be compared. Since the mean and variance of a cell population are often correlated in fluorescence-based FC measurements, a preprocessing step is needed to stabilize the within-population variances. Results We present a variance-stabilization algorithm, called flowVS, that removes the mean-variance correlations from cell populations identified in each fluorescence channel. flowVS transforms each channel from all samples of a data set by the inverse hyperbolic sine (asinh) transformation. For each channel, the parameters of the transformation are optimally selected by Bartlett’s likelihood-ratio test so that the populations attain homogeneous variances. The optimum parameters are then used to transform the corresponding channels in every sample. flowVS is therefore an explicit variance-stabilization method that stabilizes within-population variances in each channel by evaluating the homoskedasticity of clusters with a likelihood-ratio test. With two publicly available datasets, we show that flowVS removes the mean-variance dependence from raw FC data and makes the within-population variance relatively homogeneous. We demonstrate that alternative transformation techniques such as flowTrans, flowScape, logicle, and FCSTrans might not stabilize variance. Besides flow cytometry, flowVS can also be applied to stabilize variance in microarray data. With a publicly available data set we demonstrate that flowVS performs as well as the VSN software, a state-of-the-art approach developed for microarrays. Conclusions The homogeneity of variance in cell populations across FC samples is desirable when extracting features uniformly and comparing cell populations with different levels of marker expressions. The newly developed flowVS algorithm solves the variance-stabilization problem in FC and microarrays by optimally transforming data with the help of Bartlett’s likelihood-ratio test. On two publicly available FC datasets, flowVS stabilizes within-population variances more evenly than the available transformation and normalization techniques. flowVS-based variance stabilization can help in performing comparison and alignment of phenotypically identical cell populations across different samples. flowVS and the datasets used in this paper are publicly available in Bioconductor.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1989

Model-based quantification of image quality

In 1982, Park and Schowengerdt published an end-to-end analysis of a digital imaging system quantifying three principal degradation components: (1) image blur - blurring caused by the acquisition system, (2) aliasing - caused by insufficient sampling, and (3) reconstruction blur - blurring caused by the imperfect interpolative reconstruction. This analysis, which measures degradation as the square of the radiometric error, includes the sample-scene phase as an explicit random parameter and characterizes the image degradation caused by imperfect acquisition and reconstruction together with the effects of undersampling and random sample-scene phases. In a recent paper Mitchell and Netravelli displayed the visual effects of the above mentioned degradations and presented subjective analysis about their relative importance in determining image quality. The primary aim of the research is to use the analysis of Park and Schowengerdt to correlate their mathematical criteria for measuring image degradations with subjective visual criteria. Insight gained from this research can be exploited in the end-to-end design of optical systems, so that system parameters (transfer functions of the acquisition and display systems) can be designed relative to each other, to obtain the best possible results using quantitative measurements.

Hazra, Rajeeb↗
DOE OSTI2016

Chemical Complexity Controls Energy Dissipation and Defect Evolution

The development of metallic alloys is arguably one of the oldest sciences, dating back at least 3,000 years. Most research and applications have been focused on alloys with comprised multiple phases with one or two dominant elements, to which the addition of alloying elements in low concentrations leads to various performance improvements and changes in radiation resistance. In sharp contrast to traditional alloys, recent success in the synthesis of single phase concentrated solid solution alloys (SP-CSAs) has opened up new frontiers in materials research. In these alloys, a random arrangement of multiple elemental species on a lattice (fcc or bcc) results in unique site-to-site lattice distortions and local disordered chemical environments. Intense radiation in nuclear fission and fusion energy power systems, nuclear waste forms, high-energy accelerators and space exploration transfers energy to the electrons and atoms that make up the material, and thereby produces defects that ultimately compromise material strength and lifetime. A grand challenge in materials research is to understand complex electronic correlations and non-equilibrium atomic interactions, and how such intrinsic properties and dynamic processes affect energy transfer and defect evolution in irradiated materials. Since SP-CSAs possess unique links between intrinsic material properties (can be altered by alloy complexity), energy dissipation and various defect dynamic processes; they are ideal systems to fill knowledge gaps between electronic- /atomic-level interactions and radiation resistance mechanisms. In our work, we show that chemical disorder and compositional complexity in SP-CSAs have an enormous impact on defect dynamics through substantial modification of energy dissipation pathways. Based on a closely integrated computational and experimental study using a novel set of Ni-based SP-CSAs, we have explicitly demonstrated that increasing chemical disorder can lead to a substantial reduction in the electron mean free path and electrical and thermal conductivity. These reductions have a significant impact on energy dissipation and consequentially on defect evolution during ion irradiation. Considerable enhancement in radiation resistance with increasing chemical complexity from pure nickel to binary, and to more complex quaternary solid solutions, is observed under ion irradiation. Contrary to conventional alloys with low solute concentration but multiple phases, energy dissipation and defect evolution at the level of electrons and atoms in SP- CSA systems with extreme compositional disorder is an unexplored frontier in materials science. The integrated experimental/modeling effort provides new insights into defect dynamics at the level of atoms and electrons, and an innovative path forward towards solving a long-standing challenge in structural materials. Increasing chemical complexity achieved orders-of-magnitude reductions in electron mean free paths and electron and thermal conductivities of alloys of NiCo, NiFe and NiCoFeCr, compared to Ni, and suppressed damage accumulation under ion irradiation. This discovery provides insights to address the grand challenge of understanding complex electronic correlations and non-equilibrium atomic interactions, and the effect of these intrinsic properties and dynamic processes on energy transfer and defect evolution in irradiated materials. Understanding how material properties and defect dynamics can be tailored by alloy complexity may pave the way for new design principles of functional alloys. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2017

Sample-based synthesis of two-scale structures with anisotropy

A vast majority of natural or synthetic materials are characterized by their anisotropic properties, such as stiffness. Such anisotropy is effected by the spatial distribution of the fine-scale structure and/or anisotropy of the constituent phases at a finer scale. In design, proper control of the anisotropy may greatly enhance the efficiency and performance of synthesized structures. In this paper, we propose a sample-based two-scale structure synthesis approach that explicitly controls anisotropic effective material properties of the structure on the coarse scale by orienting sampled material neighborhoods at the fine scale. We first characterize the non-uniform orientations distribution of the sample structure by showing that the principal axes of an orthotropic material may be determined by the eigenvalue decomposition of its effective stiffness tensor. Such effective stiffness tensors can be efficiently estimated based on the two-point correlation functions of the fine-scale structures. Then we synthesize the two-scale structure by rotating fine-scale structures from the sample to follow a given target orientation field. Finally, the effectiveness of the proposed approach is demonstrated through examples in both 2D and 3D.

42 ENGINEERING↗
DOE OSTI2025

Interrelationships among methods of estimating microbial biomass across multiple soil orders and biomes

Understanding the role of soil microbes is critical to ecosystem processes, and more thorough comparisons of measurement proxies for soil microbial biomass could broaden the inclusion of explicit microbial parameterization in soil carbon cycling and earth system models. We measured physical, chemical, and biological data from eight soil orders representing 11 major biomes and four climate regions. Four prominent methods to measure microbial abundance—chloroform fumigation extraction (CFE), total DNA yield, gene copy number by quantitative polymerase chain reaction (GCN), and phospholipid fatty acids (PLFA)—were compared to assess their relationships with each other and with soil characteristics. Correlations were observed when comparing methods, with CFE correlating strongly with total DNA yield, GCN, and PLFA; CFE with bacterial GCN and bacterial PLFA; and to a lesser extent, total PLFA and total DNA yield. Correlations improved with the removal of organic soils (Histosols, Gelisols). Comparisons involving extracted DNA were improved by correcting for clay content, due to DNA extraction inefficiencies in clay-rich soils. Correlations involving fungi (PLFA or GCN) were always less significant. These methods could serve as reliable, inter-relatable proxies for the estimation of total soil microbial biomass while recognizing that the proxies are less effective at parsing differences between bacteria and fungi. Here, we provide specific equations to relate measures of soil microbial biomass by these four different methods to enable microbial models to utilize a greater diversity of observed data sources in parameterizations and simulations. Caveats for the equations and their values are also discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Field-driven ion pairing dynamics in concentrated electrolytes

Here, we investigate ion pairing dynamics in electrolytes driven far from equilibrium using molecular simulations and nonequilibrium rate theory. Focusing on 0.5M LiPF 6 in water and acetonitrile under uniform electric fields, we compute transition path theory observables, including reactive fluxes and mean first-passage times of ion pairing. Moreover, we introduce a dynamical proxy of free-ion population, where its field-induced change is strongly correlated with the nonlinear enhancement of conductivity, yielding an increase of 40% at 50 mV/Å in acetonitrile, compared to that of less than 10% in aqueous electrolytes. Further kinetic analysis elucidates that Onsager’s classical theory substantially overestimates field-induced enhancement of ion pair dissociation in molecular electrolytes. This discrepancy arises from solvent-mediated dynamical pathways and field-induced dielectric decrement that suppress ion pair dissociation within explicit solvents, highlighting that a faithful description of molecular details is essential. Our results provide a molecular interpretation of nonlinear electrolyte transport beyond continuum theories and establish a general framework for quantifying nonequilibrium reaction kinetics in condensed phase systems.

Moon, Seokjin [University of California, Berkeley,↗
DOE OSTI2022

Distinguishing between Quantum and Classical Markovian Dephasing Dissipation

Understanding whether dissipation in an open quantum system is truly quantum is a question of both fundamental and practical interest. We consider n qubits subject to correlated Markovian dephasing and present a sufficient condition for when bath-induced dissipation can generate system entanglement and hence must be considered quantum. Surprisingly, we find that the presence or absence of time-reversal symmetry plays a crucial role: broken time-reversal symmetry is required for dissipative entanglement generation. Further, simply having nonzero bath susceptibilities is not enough for the dissipation to be quantum. We also present an explicit experimental protocol for identifying truly quantum dephasing dissipation and lay the groundwork for studying more complex dissipative systems and finding optimal noise mitigating strategies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗