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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Elevated temperature crack growth

Alloy 718 crack growth experiments were conducted to assess the ability of the selected path-independent (P-I) integrals to describe the elevated temperature crack growth behavior. These tests were performed on single edge notch (SEN) specimens under displacement control with multiple extensometers to monitor the specimen and crack mouth opening displacement (CMOD). The displacements in these tests were sufficiently high to induce bulk cyclic inelastic deformation of the specimen. Under these conditions, the linear elastic fracture mechanics (LEFM) parameter K does not correlate the crack growth data. The experimentally measured displacement gradients at the end of specimen gage length were used as the boundary conditions in elastic-plastic finite element method (FEM) analyses. These analyses were performed with a node release approach using CYANIDE, a GEAE FEM code, which included a gap element which is capable of efficiently simulating crack closure. Excellent correlation was obtained between the experimentally measured and predicted variation of stress and CMOD with crack length and the stress-CMOD loops for Alloy 718 tests conducted at 538 C. This confirmed the accuracy of the FEM crack growth simulation approach. The experimentally measured crack growth rate data correlated well the selected P-I integrals. These investigations have produced significant progress in developing P-I integrals as non-linear fracture mechanics parameters. The results suggest that this methodology has the potential of accurately describing elevated temperature crack growth behavior under the combined influence of thermal cycling and bulk elastic-inelastic deformation states.

Kim, K. S.↗
DOE OSTI2021

A Primer on Dose-Response Data Modeling in Radiation Therapy

An overview of common approaches used to assess a dose response for radiation therapy–associated endpoints is presented, using lung toxicity data sets analyzed as a part of the High Dose per Fraction, Hypofractionated Treatment Effects in the Clinic effort as an example. Each component presented (eg, data-driven analysis, dose-response analysis, and calculating uncertainties on model prediction) is addressed using established approaches. Specifically, the maximum likelihood method was used to calculate best parameter values of the commonly used logistic model, the profile-likelihood to calculate confidence intervals on model parameters, and the likelihood ratio to determine whether the observed data fit is statistically significant. The bootstrap method was used to calculate confidence intervals for model predictions. Correlated behavior of model parameters and implication for interpreting dose response are discussed.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

California-Kepler Survey. IX. Revisiting the Minimum-mass Extrasolar Nebula with Precise Stellar Parameters

We investigate a possible correlation between the solid surface density Σ of the minimum-mass extrasolar nebula (MMEN) and the host star mass M {sub ⋆} and metallicity [Fe/H]. Leveraging on the precise host star properties from the California-Kepler Survey (CKS), we found that Σ=50{sub −20}{sup +33} g cm{sup −2} (a/1 au){sup −1.75±0.07} (M {sub ⋆}/M {sub ⊙}){sup 1.04±0.22} 10{sup 0.22±0.05[Fe/H]} for Kepler-like systems (1–4R {sub ⊕}; a < 1 au). The strong M {sub ⋆} dependence is reminiscent of previous dust continuum results that the solid disk mass scales with M {sub ⋆}. The weaker [Fe/H] dependence shows that sub-Neptune planets, unlike giant planets, form readily in lower metallicity environment. The innermost region (a < 0.1 au) of an MMEN maintains a smooth profile despite a steep decline of planet occurrence rate: a result that favors the truncation of disks by corotating magnetospheres with a range of rotation periods, rather than the sublimation of dust. The Σ of Kepler multitransiting systems shows a much stronger correlation with M {sub ⋆} and [Fe/H] than singles. This suggests that the dynamically hot evolution that produced single systems also partially removed the memory of formation in disks. Radial-velocity planets yielded a MMEN very similar to CKS planets; transit-timing-variation planets’ postulated convergent migration history is supported by their poorly constrained MMEN. We found that lower mass stars have a higher efficiency of forming/retaining planets: for Sun-like stars, about 20% of the solid mass within ∼1 au are converted/preserved as sub-Neptunes, compared to 70% for late-K to early-M stars. This may be due to the lower binary fraction, lower giant-planet occurrence, or the longer disk lifetime of lower mass stars.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

STEREO Observations of Stream Interaction Regions in 2007-2016:Relationship with Heliospheric Current Sheets, Solar Cycle Variations, and Dual Observations

We have conducted a survey of 575 slow-to-fast stream interaction regions (SIRs) using STEREOA/B data in 2007-2016 (Jian et al., 2019). Among 518 well-defined SIRs, 54% are associated with heliospheric current sheet (HCS) crossings, and 34% are without any HCS crossing. The other 12% of the SIRs often occur in association with magnetic sectors shorter than 3 days. The SIRs with HCS crossings have slightly slower speeds but higher maximum number densities, magnetic field strengths, dynamic pressures, and total pressures than the SIRs without an HCS. The iron charge state is higher throughout the SIRs with an HCS than the SIRs without an HCS, by about 1/3 charge unit. In contrast with the comparable phases of solar cycle 23,slightly more SIRs and higher recurrence rates are observed in the years 2009-2016 of cycle 24,with a lower HCS association rate, possibly attributed to persistent equatorial coronal holes and more pseudostreamers in this recent cycle. The solar wind speed, peak magnetic field and pressures of SIRs are all lower in this cycle, but the weakening is less than for the comparable background solar wind parameters. Before STEREO B lost contact in 2014 October, 151 SIR pairs were observed by the twin spacecraft. Of the dual observations, the maximum speed is the best correlated of the plasma parameters. We have obtained a sample of plasma parameter differences analogous to those that would be observed for a mission at Lagrange point 4 or 5.By studying several cases with large discrepancies between the dual observations, we have also investigated the effects of HCS relative location, tilt of stream interface, and small transients on the SIR properties.

Lan K Jian↗
DOE OSTI2016

Rate-equation modelling and ensemble approach to extraction of parameters for viral infection-induced cell apoptosis and necrosis

We develop a theoretical approach that uses physiochemical kinetics modelling to describe cell population dynamics upon progression of viral infection in cell culture, which results in cell apoptosis (programmed cell death) and necrosis (direct cell death). Several model parameters necessary for computer simulation were determined by reviewing and analyzing available published experimental data. By comparing experimental data to computer modelling results, we identify the parameters that are the most sensitive to the measured system properties and allow for the best data fitting. Our model allows extraction of parameters from experimental data and also has predictive power. Using the model we describe interesting time-dependent quantities that were not directly measured in the experiment and identify correlations among the fitted parameter values. Numerical simulation of viral infection progression is done by a rate-equation approach resulting in a system of “stiff” equations, which are solved by using a novel variant of the stochastic ensemble modelling approach. The latter was originally developed for coupled chemical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Algorithm sensitivity analysis and parameter tuning for tissue image segmentation pipelines

Motivation: Sensitivity analysis and parameter tuning are important processes in large-scale image analysis. They are very costly because the image analysis workflows are required to be executed several times to systematically correlate output variations with parameter changes or to tune parameters. An integrated solution with minimum user interaction that uses effective methodologies and high performance computing is required to scale these studies to large imaging datasets and expensive analysis workflows. Results: The experiments with two segmentation workflows show that the proposed approach can (i) quickly identify and prune parameters that are non-influential; (ii) search a small fraction (about 100 points) of the parameter search space with billions to trillions of points and improve the quality of segmentation results (Dice and Jaccard metrics) by as much as 1.42 x compared to the results from the default parameters; (iii) attain good scalability on a high performance cluster with several effective optimizations. Conclusions: Our work demonstrates the feasibility of performing sensitivity analyses, parameter studies and auto-tuning with large datasets. The proposed framework can enable the quantification of error estimations and output variations in image segmentation pipelines.

Biochemistry & Molecular Biology↗
DOE OSTI2023

Study of the Bose-Einstein correlations of same-sign pions in proton-lead collisions

Correlations of same-sign charged pions are analysed using proton-lead collision data collected by the LHCb experiment at a nucleon-nucleon centre-of-mass energy of 5.02 TeV, corresponding to an integrated luminosity of 1.06 nb -1 . Bose-Einstein correlations are observed in the form of an enhancement of pair production for same-sign charged pions with a small four-momentum difference. The dependence of the correlation radius and the intercept parameter on the reconstructed charged-particle multiplicity is investigated. The measured correlation radii scale linearly with the cube root of the reconstructed charged-particle multiplicity, being compatible with predictions of hydrodynamic models on the collision system evolution.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Estimation of trabecular bone parameters in children from multisequence MRI using texture-based regression

Purpose: This paper presents a statistical approach for the prediction of trabecular bone parameters from low-resolution multisequence magnetic resonance imaging (MRI) in children, thus addressing the limitations of high-resolution modalities such as HR-pQCT, including the significant exposure of young patients to radiation and the limited applicability of such modalities to peripheral bones in vivo. Methods: A statistical predictive model is constructed from a database of MRI and HR-pQCT datasets, to relate the low-resolution MRI appearance in the cancellous bone to the trabecular parameters extracted from the high-resolution images. The description of the MRI appearance is achieved between subjects by using a collection of feature descriptors, which describe the texture properties inside the cancellous bone, and which are invariant to the geometry and size of the trabecular areas. The predictive model is built by fitting to the training data a nonlinear partial least square regression between the input MRI features and the output trabecular parameters. Results: Detailed validation based on a sample of 96 datasets shows correlations >0.7 between the trabecular parameters predicted from low-resolution multisequence MRI based on the proposed statistical model and the values extracted from high-resolution HRp-QCT. Conclusions: The obtained results indicate the promise of the proposed predictive technique for the estimation of trabecular parameters in children from multisequence MRI, thus reducing the need for high-resolution radiation-based scans for a fragile population that is under development and growth.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1973

Inter-element relationships between trace elements in primitive carbonaceous and unequilibrated ordinary chondrites.

The results of a search for significant interelement relationships among 13 trace elements in carbonaceous chondrites and 26 elements and the disequilibrium parameter for silicate phases in unequilibrated ordinary chondrites (UOC) indicate pronounced differences in the formation processes of these two sorts of primitive chondrites. Twenty-six pairs of elements are correlated in carbonaceous chondrites and these correlations lend support to a model involving mixing in different ratios of material differing in thermal history. Comparison of the 26 elements in UOC shows that 39 pairs of elements are significantly related and only very volatile elements are correlated with the disequilibrium parameter. Each of the interelement relationships can be specifically ascribed to a metal-silicate fractionation in the solar nebula or to a thermal fractionation.

Kurimoto, R. K.↗
NASA NTRS1981

Electronic properties of deep-level defects in proton irradiated AlGaAs-GaAs solar cells

Deep level transient spectroscopy and capacitance voltage techniques as well as analysis of the forward current voltage (I-V) characteristics and SEM-EIC data were carried out for proton irradiated GaAs solar cells over a wide range of proton energies and proton fluences. Defect and recombination parameters such as defect energy levels and density, carrier capture cross sections and lifetimes as well as diffusion lengths in the undoped n-GaAs LPE layers were determined. Good correlation between these defect parameters and solar cell performance parameters was obtained for GaAs solar cells irradiated by 200 and 290 KeV protons. It was found that 200 to 290 KeV protons will produce the most defects and damages to the GaAs solar cell structure used. The influence of the low temperature (200 to 400 C) periodic thermal annealing on the deep level defects and the performance of the 200 KeV proton irradiated cells is discussed.

Li, S. S.↗
DOE OSTI2019

Sensitivity Analysis of Material Model Parameters to Reproduce Crushing of Composite Tubes

The ability to predict the behavior of composite structures under impact conditions is an important challenge for engineering analysis since it requires modeling beyond the elasticity and into failure initiation and propagation. Crushing of laminate composites is the result of a combination of several and complex failure mechanisms, which are not always possible to reproduce together in a single finite element analysis (FEA). In this paper, models based on lamina-level failure criteria have been used to predict the onset of damage; once failure initiates, the mechanisms of failure propagation require reducing the material properties using several degradation schemes. Among the composite material models available in LS-DYNA, MAT-ENHANCED-COMPOSITE-DAMAGE (MAT-54) has been chosen for modeling the axial crushing of composite tubes with various resistant sections and wall slope, given the reduced experimental input parameters to insert into the card definition. Comparison with experimental data shows that such material model is able to successfully reproduce the crushing behavior, even if the numerical results are strictly correlated with some model parameters which cannot be measured experimentally or are purely mathematical expedients. Therefore, extensive calibration of these parameters by trial-and-error is necessary to achieve successful simulation results. Once done it for a structure made of the same composite material, it is possible to adopt the same card configuration for all the other cases, obtaining good agreement between numerical and experimental results. After, the attempt to model the same geometries using the MAT-LAMINATED-COMPOSITE-FABRIC (MAT-58) card with the same parameter values previously calibrated has been done obtaining results comparable with the experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Application of Machine Learning Techniques to an Agent-Based Model of Pantoea

Agent-based modeling (ABM) is a powerful simulation technique which describes a complex dynamic system based on its interacting constituent entities. While the flexibility of ABM enables broad application, the complexity of real-world models demands intensive computing resources and computational time; however, a metamodel may be constructed to gain insight at less computational expense. Here, we developed a model in NetLogo to describe the growth of a microbial population consisting of Pantoea . We applied 13 parameters that defined the model and actively changed seven of the parameters to modulate the evolution of the population curve in response to these changes. We efficiently performed more than 3,000 simulations using a Python wrapper, NL4Py . Upon evaluation of the correlation between the active parameters and outputs by random forest regression, we found that the parameters which define the depth of medium and glucose concentration affect the population curves significantly. Subsequently, we constructed a metamodel, a dense neural network, to predict the simulation outputs from the active parameters and found that it achieves high prediction accuracy, reaching an R 2 coefficient of determination value up to 0.92. Our approach of using a combination of ABM with random forest regression and neural network reduces the number of required ABM simulations. The simplified and refined metamodels may provide insights into the complex dynamic system before their transition to more sophisticated models that run on high-performance computing systems. The ultimate goal is to build a bridge between simulation and experiment, allowing model validation by comparing the simulated data to experimental data in microbiology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Polycyclic Aromatic Hydrocarbons in Protoplanetary Disks around Herbig Ae/Be and T Tauri Stars

A distinct set of broad emission features at 3.3, 6.2, 7.7, 8.6, 11.3, and 12.7 μm, is often detected in protoplanetary disks (PPDs). These features are commonly attributed to polycyclic aromatic hydrocarbons (PAHs). We model these emission features in the infrared spectra of 69 PPDs around 14 T Tauri and 55 Herbig Ae/Be stars in terms of astronomical PAHs. For each PPD, we derive the size distribution and the charge state of the PAHs. We then examine the correlations of the PAH properties (i.e., sizes and ionization fractions) with the stellar properties (e.g., stellar effective temperature, luminosity, and mass). We find that the characteristic size of the PAHs tends to correlate with the stellar effective temperature (T{sub eff}) and interpret this as the preferential photodissociation of small PAHs in systems with higher T{sub eff} of which the stellar photons are more energetic. In addition, the PAH size shows a moderate correlation with the red-ward wavelength shift of the 7.7 μm PAH feature that is commonly observed in disks around cool stars. The ionization fraction of PAHs does not seem to correlate with any stellar parameters. This is because the charging of PAHs depends on not only the stellar properties (e.g., T{sub eff}, luminosity) but also their spatial distribution in the disks. The marginally negative correlation between PAH size and stellar age suggests that continuous replenishment of PAHs via the outgassing of cometary bodies and/or the collisional grinding of planetesimals and asteroids is required to maintain the abundance of small PAHs against complete destruction by photodissociation.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1987

Properties of low-energy electron precipitation in the cleft during periods of unusually high ambient electron temperatures

A recently developed automated fitting procedure for Dynamics Explorer 2 electron energy spectra represents each auroral electron spectrum as a superposition of several Maxwellian and several Gaussian components. The fitting parameters give a digital representation which uniquely describes each spectrum. It is shown that unusually high ambient electron temperatures (of the order of 10,000 K) in the cleft are strongly correlated with the intensity parameters of the lowest-temperature Maxwellian components of the precipitation. The collisional heat input into the ambient electrons by these Maxwellian components of the precipitation fluxes is shown to be more than an order of magnitude higher in the high-temperature storm time cases than it is in a control set of 'normal temperature' quiet time cases. The heating effect of the solar flux is shown to be nearly the same for both sets of cases. As a result it is concluded that electron precipitation is the chief mechanism responsible for those high ambient temperatures.

Fontheim, Ernest G.↗
NASA NTRS1989

On ice shape prediction methodologies and comparison with experimental data

Comparisons are made between the analysis of Wilder (1969), Bragg (1982), and the ice shape predictions of LEWICE given a specific airfoil geometry and set of meteorological conditions. Also, comparisons are made between the actual ice shapes as found in flight tests of the NASA Lewic RC Twin Otter and that predicted by the approximate methods noted earlier and LEWICE. Further, an investigation of two important parameters in the analysis of LEWICE has been made. Time stepping and initial surface roughness has been varied to identify any trends in the results. Guidelines have been identified for the correlation of these two parameters with the results in terms of atmospheric conditions. The range of meteorological conditions chosen, such as droplet diameter, free air temperature, and liquid water content has allowed rime, mixed, and glaze ice shapes at the leading edge of an airfoil to be investigated.

Korkan, K. D.↗
DOE OSTI2018

Universal correlation between CP phase $\delta$ and the non-unitarity $\alpha$ parameter phases

The non-unitarity of the neutrino mixing matrix is a problem related with a more fundamental question about the origin of the neutrino mass. After a brief discussion on the questions ``why do we need model-independent framework for unitarity test?'', we show interesting properties present in the oscillation probabilities of neutrinos propagating in matter with non-unitarity. That is, (1) partial unitarity and (2) universal phase correlation. %To illuminate these points, we formulate a perturbative framework with the two expansion parameters $\epsilon \equiv \Delta m^2_{21} / \Delta m^2_{31}$ and $\alpha$ matrix elements. The complex triangular $\alpha$ matrix is introduced through the definition of $3 \times 3$ non-unitary flavor mixing matrix $N$ as %\begin{eqnarray} N &=& \left( \bf{1} - \alpha \right) U = \left\{ \bf{1} - \left[ \begin{array}{ccc}\alpha_{ee} & 0 & 0 \\\alpha_{\mu e} & \alpha_{\mu \mu} & 0 \\\alpha_{\tau e} & \alpha_{\tau \mu} & \alpha_{\tau \tau} \\\end{array}\right] \right\}U \label{alpha-matrix-def}\end{eqnarray}%where $U$ is the unitary MNS mixing matrix, and hence $\alpha$ characterizes the size and the flavor dependence of unitarity violation (UV)\footnote{%%%%%%%%%%%%%Despite that in the physics literature UV usually means ``ultraviolet'', we use UV in this manuscript as an abbreviation for ``unitarity violation'' or ``unitarity violating''.}~~caused by new physics (NP) at low- or high-scales.~~~~The point (1) above essentially means that despite non-unitary mixing, neutrino evolution must be unitary because the three active neutrinos span a complete state space of neutral leptons. The {\em phase correlation} mentioned in the point (2) refers an intriguing property that the complex $\alpha$ parameters and $\nu$Standard Model CP phase $\delta$ always come into the oscillation probabilities in a correlated way, $e^{- i \delta } \alpha_{\mu e}$, $\alpha_{\tau e}$, and $e^{i \delta} \alpha_{\tau \mu}$, universally in all the oscillation channels. The physical meaning of this result is briefly discussed. }

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Electronic Structure of Molecular Cobalt Catalysts for H 2 Production Revealed by Multifrequency EPR

Improving the design of hydrogen evolution reaction (HER) catalysts requires a detailed understanding of the catalyst's structure and environment. Here wwe have used multifrequency electron paramagnetic resonance (EPR) spectroscopy (X-band, Q-band, and D-band) in combination with density functional theory (DFT) modeling to elucidate the electronic structure of three Co(II) molecular catalysts for H 2 evolution to determine correlations of electronic structure parameters with catalytic activity and stability. The Co(II) coordination complexes investigated here are representative of two types of H 2 -evolving molecular catalysts: cobaloximes, formed from cobalt coordination to two glyoxime ligands, and cobalt poly(pyridyl) complexes, which commonly have either four or five pyridyl ligands coordinating a single Co(II) ion. These Co(II) complexes were studied in a variety of solvents with a range of polarities and stoichiometric amounts of potential ligands to the cobalt ion to assess the strength and nature of ligand- cobalt interactions. Using magnetic resonance parameters obtained by EPR spectroscopy as reference data, we reconstructed the electronic structure of the Co(II) complexes with the help of DFT modeling. For all three catalysts, we uncovered a linear correlation between the Co(II) A z value and the g x value that is dependent on the strength of the axial ligands. The correlations that we have established between the electronic structure and metal coordination environment provide insight into the structural and electronic factors underpinning the observed trends in HER catalysis activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Stripe correlations in the two-dimensional Hubbard-Holstein model

Several state-of-the-art numerical methods have observed static or fluctuating spin and charge stripes in doped two-dimensional Hubbard models, suggesting that these orders play a significant role in shaping the cuprate phase diagram. Many experiments, however, also indicate that the cuprates have strong electron-phonon (e-ph) coupling, and it is unclear how this interaction influences stripe correlations. We study static and fluctuating stripe orders in the doped single-band Hubbard-Holstein model using zero temperature variational Monte Carlo and finite temperature determinant quantum Monte Carlo. We find that the lattice couples more strongly with the charge component of the stripes, leading to an enhancement or suppression of stripe correlations, depending on model parameters like the next-nearest-neighbor hopping t' or phonon energy Ω. Our results help elucidate how the e-ph interaction can tip the delicate balance between stripe and superconducting correlations in the Hubbard-Holstein model with implications for our understanding of the high-T c cuprates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗