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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Global fits of the cMSSM and NUHM including the LHC Higgs discovery and new XENON100 constraints

We present global fits of the constrained Minimal Supersymmetric Standard Model (cMSSM) and the Non-Universal Higgs Model (NUHM), including the most recent CMS constraint on the Higgs boson mass, 5.8 fb{sup −1} integrated luminosity null Supersymmetry searches by ATLAS, the new LHCb measurement of BR( B-bar {sub s} → μ{sup +}μ{sup −}) and the 7-year WMAP dark matter relic abundance determination. We include the latest dark matter constraints from the XENON100 experiment, marginalising over astrophysical and particle physics uncertainties. We present Bayesian posterior and profile likelihood maps of the highest resolution available today, obtained from up to 350M points. We find that the new constraint on the Higgs boson mass has a dramatic impact, ruling out large regions of previously favoured cMSSM and NUHM parameter space. In the cMSSM, light sparticles and predominantly gaugino-like dark matter with a mass of a few hundred GeV are favoured. The NUHM exhibits a strong preference for heavier sparticle masses and a Higgsino-like neutralino with a mass of 1 TeV. The future ton-scale XENON1T direct detection experiment will probe large portions of the currently favoured cMSSM and NUHM parameter space. The LHC operating at 14 TeV collision energy will explore the favoured regions in the cMSSM, while most of the regions favoured in the NUHM will remain inaccessible. Our best-fit points achieve a satisfactory quality-of-fit, with p-values ranging from 0.21 to 0.35, so that none of the two models studied can be presently excluded at any meaningful significance level.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Parametric resonance in the early Universe—a fitting analysis

Particle production via parametric resonance in the early Universe, is a non-perturbative, non-linear and out-of-equilibrium phenomenon. Although it is a well studied topic, whenever a new scenario exhibits parametric resonance, a full re-analysis is normally required. To avoid this tedious task, many works present often only a simplified linear treatment of the problem. In order to surpass this circumstance in the future, we provide a fitting analysis of parametric resonance through all its relevant stages: initial linear growth, non-linear evolution, and relaxation towards equilibrium. Using lattice simulations in an expanding grid in 3+1 dimensions, we parametrize the dynamics' outcome scanning over the relevant ingredients: role of the oscillatory field, particle coupling strength, initial conditions, and background expansion rate. We emphasize the inaccuracy of the linear calculation of the decay time of the oscillatory field, and propose a more appropriate definition of this scale based on the subsequent non-linear dynamics. We provide simple fits to the relevant time scales and particle energy fractions at each stage. Our fits can be applied to post-inflationary preheating scenarios, where the oscillatory field is the inflaton, or to spectator-field scenarios, where the oscillatory field can be e.g. a curvaton, or the Standard Model Higgs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

A comparison of template vs. direct model fitting for redshift-space distortions in BOSS

The growth of large-scale structure, as revealed in the anisotropic of clustering of galaxies in the low redshift Universe at z < 2, provides a stringent test of our cosmological model. The strongest current constraints come from the BOSS and eBOSS surveys, with uncertainties on σ 8 , the amplitude of clustering on an 8 h –1 Mpc scale, of less than 10 per cent. A number of different approaches have been taken to fitting this signal, leading to discrepancies of up to 1σ in the measurements of the amplitude of fluctuations at late times. We compare in some detail two of the leading approaches, one based on fitting a template cosmology whose amplitude and length scales are allowed to float with one based on varying the underlying parameters of a cosmological model directly, when fitting to the BOSS DR12 data. Holding the input data, scale cuts, window functions and modeling framework fixed we are able to isolate the cause of the differences and discuss the implications for future surveys.

redshift surveys↗
DOE OSTI2021

Fitness cost of vancomycin-resistant Enterococcus faecium plasmids associated with hospital infection outbreaks

Abstract Background Vancomycin resistance is mostly associated with Enterococcus faecium due to Tn1546-vanA located on narrow- and broad-host plasmids of various families. This study’s aim was to analyse the effects of acquiring Tn1546-carrying plasmids with proven epidemicity in different bacterial host backgrounds. Methods Widespread Tn1546-carrying plasmids of different families RepA_N (n = 5), Inc18 (n = 4) and/or pHTβ (n = 1), and prototype plasmids RepA_N (pRUM) and Inc18 (pRE25, pIP501) were analysed. Plasmid transferability and fitness cost were assessed using E. faecium (GE1, 64/3) and Enterococcus faecalis (JH2-2/FA202/UV202) recipient strains. Growth curves (Bioscreen C) and Relative Growth Rates were obtained in the presence/absence of vancomycin. Plasmid stability was analysed (300 generations). WGS (Illumina-MiSeq) of non-evolved and evolved strains (GE1/64/3 transconjugants, n = 49) was performed. SNP calling (Breseq software) of non-evolved strains was used for comparison. Results All plasmids were successfully transferred to different E. faecium clonal backgrounds. Most Tn1546-carrying plasmids and Inc18 and RepA_N prototypes reduced host fitness (–2% to 18%) while the cost of Tn1546 expression varied according to the Tn1546-variant and the recipient strain (9%–49%). Stability of Tn1546-carrying plasmids was documented in all cases, often with loss of phenotypic resistance and/or partial plasmid deletions. SNPs and/or indels associated with essential bacterial functions were observed on the chromosome of evolved strains, some of them linked to increased fitness. Conclusions The stability of E. faecium Tn1546-carrying plasmids in the absence of selective pressure and the high intra-species conjugation rates might explain the persistence of vancomycin resistance in E. faecium populations despite the significant burden they might impose on bacterial host strains.

Tedim, Ana P.↗
DOE OSTI2023

Monte Carlo goodness-of-fit tests for degree corrected and related stochastic blockmodels

Abstract We construct Bayesian and frequentist finite-sample goodness-of-fit tests for three different variants of the stochastic blockmodel for network data. Since all of the stochastic blockmodel variants are log-linear in form when block assignments are known, the tests for the latent block model versions combine a block membership estimator with the algebraic statistics machinery for testing goodness-of-fit in log-linear models. We describe Markov bases and marginal polytopes of the variants of the stochastic blockmodel and discuss how both facilitate the development of goodness-of-fit tests and understanding of model behaviour. The general testing methodology developed here extends to any finite mixture of log-linear models on discrete data, and as such is the first application of the algebraic statistics machinery for latent-variable models.

Karwa, Vishesh↗
DOE OSTI2022

Semi-analytic spectral fitting: simultaneously modelling the mass accumulation and chemical evolution in MaNGA spiral galaxies

We develop a novel semi-analytic spectral fitting approach to quantify the star formation histories (SFHs) and chemical enrichment histories (ChEHs) of individual galaxies. We construct simple yet general chemical evolution models that account for gas inflow and outflow processes as well as star formation, to investigate the evolution of merger-free star-forming systems. These models are fitted directly to galaxies’ absorption-line spectra, while their emission lines are used to constrain current gas phase metallicity and star formation rate. We apply this method to spiral galaxies selected from the SDSS-IV Mapping Nearby Galaxies at Apache Point Observatory survey. By fitting the co-added absorption-line spectra for each galaxy, and using the emission-line constraints on present-day metallicity and star formation, we reconstruct both the SFHs and the ChEHs for all objects in the sample. We can use these reconstructions to obtain archaeological measures of derived correlations such as the mass–metallicity relation at any redshift, which compare favourably with direct observations. We find that both the SFHs and ChEHs have strong mass dependence: massive galaxies accumulate their stellar masses and become enriched earlier. This mass dependence causes the observed flattening of the mass–metallicity relation at lower redshifts. The model also reproduces the observed gas-to-stellar mass ratio and its mass dependence. Moreover, we are able to determine that more massive galaxies have earlier gas infall times and shorter infall time-scales, and that the early chemical enrichment of low-mass galaxies is suppressed by strong outflows, while outflows are not very significant in massive galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Differentiable vertex fitting for jet flavor tagging

This work explores the use of differentiable programming to integrate domain knowledge, in the form of domain specific software, into neural networks to develop scientific machine learning systems. We propose a differentiable vertex fitting algorithm that estimates the crossing point of multiple curves. In the high energy physics setting, these curves are defined by particle equations of motion and the crossing point represents the origin of particle production. This differentiable vertex fitting algorithm can be seamlessly integrated into neural networks, and we show its utility and efficacy in the high energy physics application of the classification of jets, i.e., collimated streams of particles in particle detectors whose originating parent particle we aim to classify. We demonstrate how differentiable vertex fitting can be integrated into larger transformer-based models for jet flavor tagging and show improvements in heavy flavor jet classification when compared to baseline models. Published by the American Physical Society 2024

Smith, Rachel E. C. (ORCID:0000000335851262)↗
DOE OSTI2015

Neutron/Gamma-ray discrimination through measures of fit

Statistical tests and their underlying measures of fit can be utilized to separate neutron/gamma-ray pulses in a mixed radiation field. In this article, first the application of a sample statistical test is explained. Fit measurement-based methods require true pulse shapes to be used as reference for discrimination. This requirement makes practical implementation of these methods difficult; typically another discrimination approach should be employed to capture samples of neutrons and gamma-rays before running the fit-based technique. In this article, we also propose a technique to eliminate this requirement. These approaches are applied to several sets of mixed neutron and gamma-ray pulses obtained through different digitizers using stilbene scintillator in order to analyze them and measure their discrimination quality. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Novel Histogram Based Unsupervised Classification Technique to Determine Natural Classes From Biophysically Relevant Fit Parameters to Hyperspectral Data

Hyperspectral image analysis has benefited from an array of methods that take advantage of the increased spectral depth compared to multispectral sensors; however, the focus of these developments has been on supervised classification methods. Lack of a priori knowledge regarding land cover characteristics can make unsupervised classification methods preferable under certain circumstances. An unsupervised classification technique is presented in this paper that utilizes physically relevant basis functions to model the reflectance spectra. These fit parameters used to generate the basis functions allow clustering based on spectral characteristics rather than spectral channels and provide both noise and data reduction. Histogram splitting of the fit parameters is then used as a means of producing an unsupervised classification. Unlike current unsupervised classification techniques that rely primarily on Euclidian distance measures to determine similarity, the unsupervised classification technique uses the natural splitting of the fit parameters associated with the basis functions creating clusters that are similar in terms of physical parameters. The data set used in this work utilizes the publicly available data collected at Indian Pines, Indiana. This data set provides reference data allowing for comparisons of the efficacy of different unsupervised data analysis. The unsupervised histogram splitting technique presented in this paper is shown to be better than the standard unsupervised ISODATA clustering technique with an overall accuracy of 34.3/19.0% before merging and 40.9/39.2% after merging. Finally, this improvement is also seen as an improvement of kappa before/after merging of 24.8/30.5 for the histogram splitting technique compared to 15.8/28.5 for ISODATA.

58 GEOSCIENCES↗
DOE OSTI2018

Fitting program for linear regressions according to Mahon (1996)

This program takes the users' Input data and fits a linear regression to it using the prescription presented by Mahon (1996). Compared to the commonly used York fit, this method has the correct prescription for measurement error propagation. This software should facilitate the proper fitting of measurements with a simple Interface.

Trappitsch, RetoG.↗
DOE OSTI2025

time-resolved spectroscopy fit (trspecfit) v0.01

Analyze 2D time- and energy-resolved data, such as from a pump-probe spectroscopy experiment. User can select and input different peak shapes/ functions and background types to first fit a ground state/ unperturbed spectrum. This would be similar to how standard spectroscopy data is fit. Subsequently, to describe the time domain, users can choose functions that describe the temporal dynamics of one or more spectral features, such as a peak amplitude, peak position, etc. These time dynamics functions can be added or convoluted (e.g. describing an instrument response function) with each other. Functionality to integrate implicit variables leading to distributions of certain parameters/ functions is in development. Alternatively, 2D data can be analyzed one time step at a time to get an idea of the time dynamics of the system before deploying the global 2D fit described above. Typically people write custom software for this purpose. During my PhD I've seen five internal LBL and external researchers write one-off code in different languages to analyze time- and energy-resolved spectra. While this was specifically was for a laser pump - X-ray probe spectroscopy experiment, I'm trying to write a general package for the time-resolved spectroscopy community.

Mahl, Johannes [Lawrence Berkeley National Laborat↗
DOE OSTI2020

mpfit: a robust method for fitting atomic resolution images with multiple Gaussian peaks

The standard technique for sub-pixel estimation of atom positions from atomic resolution scanning transmission electron microscopy images relies on fitting intensity maxima or minima with a two-dimensional Gaussian function. While this is a widespread method of measurement, it can be error prone in images with non-zero aberrations, strong intensity differences between adjacent atoms or in situations where the neighboring atom positions approach the resolution limit of the microscope. Here we demonstrate mpfit, an atom finding algorithm that iteratively calculates a series of overlapping two-dimensional Gaussian functions to fit the experimental dataset and then subsequently uses a subset of the calculated Gaussian functions to perform sub-pixel refinement of atom positions. Based on both simulated and experimental datasets presented in this work, this approach gives lower errors when compared to the commonly used single Gaussian peak fitting approach and demonstrates increased robustness over a wider range of experimental conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Predicting partner fitness based on spatial structuring in a light-driven microbial community

Microbial communities have vital roles in systems essential to human health and agriculture, such as gut and soil microbiomes, and there is growing interest in engineering designer consortia for applications in biotechnology ( e . g ., personalized probiotics, bioproduction of high-value products, biosensing). The capacity to monitor and model metabolite exchange in dynamic microbial consortia can provide foundational information important to understand the community level behaviors that emerge, a requirement for building novel consortia. Where experimental approaches for monitoring metabolic exchange are technologically challenging, computational tools can enable greater access to the fate of both chemicals and microbes within a consortium. In this study, we developed an in-silico model of a synthetic microbial consortia of sucrose-secreting Synechococcus elongatus PCC 7942 and Escherichia coli W. Our model was built on the NUFEB framework for Individual-based Modeling (IbM) and optimized for biological accuracy using experimental data. We showed that the relative level of sucrose secretion regulates not only the steady-state support for heterotrophic biomass, but also the temporal dynamics of consortia growth. In order to determine the importance of spatial organization within the consortium, we fit a regression model to spatial data and used it to accurately predict colony fitness. We found that some of the critical parameters for fitness prediction were inter-colony distance, initial biomass, induction level, and distance from the center of the simulation volume. We anticipate that the synergy between experimental and computational approaches will improve our ability to design consortia with novel function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Genome-wide fitness profiling reveals molecular mechanisms that bacteria use to interact with Trichoderma atroviride exometabolites

Trichoderma spp. are ubiquitous rhizosphere fungi capable of producing several classes of secondary metabolites that can modify the dynamics of the plant-associated microbiome. However, the bacterial-fungal mechanisms that mediate these interactions have not been fully characterized. Here, a random barcode transposon-site sequencing (RB-TnSeq) approach was employed to identify bacterial genes important for fitness in the presence of Trichoderma atroviride exudates. We selected three rhizosphere bacteria with RB-TnSeq mutant libraries that can promote plant growth: the nitrogen fixers Klebsiella michiganensis M5aI and Herbaspirillum seropedicae SmR1, and Pseudomonas simiae WCS417. As a non-rhizosphere species, Pseudomonas putida KT2440 was also included. From the RB-TnSeq data, nitrogen-fixing bacteria competed mainly for iron and required the siderophore transport system TonB/ExbB for optimal fitness in the presence of T . atroviride exudates. In contrast, P . simiae and P . putida were highly dependent on mechanisms associated with membrane lipid modification that are required for resistance to cationic antimicrobial peptides (CAMPs). A mutant in the Hog1-MAP kinase (Δ tmk 3) gene of T . atroviride showed altered expression patterns of many nonribosomal peptide synthetase (NRPS) biosynthetic gene clusters with potential antibiotic activity. In contrast to exudates from wild-type T . atroviride , bacterial mutants containing lesions in genes associated with resistance to antibiotics did not show fitness defects when RB-TnSeq libraries were exposed to exudates from the Δ tmk3 mutant. Unexpectedly, exudates from wild-type T . atroviride and the Δ tmk 3 mutant rescued purine auxotrophic mutants of H . seropedicae , K . michiganensis and P . simiae . Metabolomic analysis on exudates from wild-type T . atroviride and the Δ tmk 3 mutant showed that both strains excrete purines and complex metabolites; functional Tmk3 is required to produce some of these metabolites. This study highlights the complex interplay between Trichoderma -metabolites and soil bacteria, revealing both beneficial and antagonistic effects, and underscoring the intricate and multifaceted nature of this relationship.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

The effect of enrofloxacin on enteric Escherichia coli : Fitting a mathematical model to in vivo data

Antimicrobial drugs administered systemically may cause the emergence and dissemination of antimicrobial resistance among enteric bacteria. To develop logical, research-based recommendations for food animal veterinarians, we must understand how to maximize antimicrobial drug efficacy while minimizing risk of antimicrobial resistance. Our objective is to evaluate the effect of two approved dosing regimens of enrofloxacin (a single high dose or three low doses) on Escherichia coli in cattle. We look specifically at bacteria above and below the epidemiological cutoff (ECOFF), above which the bacteria are likely to have an acquired or mutational resistance to enrofloxacin. We developed a differential equation model for the antimicrobial drug concentrations in plasma and colon, and bacteria populations in the feces. The model was fit to animal data of drug concentrations in the plasma and colon obtained using ultrafiltration probes. Fecal E. coli counts and minimum inhibitory concentrations were measured for the week after receiving the antimicrobial drug. We predict that the antimicrobial susceptibility of the bacteria above the ECOFF pre-treatment strongly affects the composition of the bacteria following treatment. Faster removal of the antimicrobial drugs from the colon throughout the study leads to improved clearance of bacteria above the ECOFF in the low dose regimen. If we assume a fitness cost is associated with bacteria above the ECOFF, the increased fitness costs leads to reduction of bacteria above the ECOFF in the low dose study. These results suggest the initial E. coli susceptibility is a strong indicator of how steers respond to antimicrobial drug treatment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Quantifying uncertainties in crystal electric field Hamiltonian fits to neutron data

We systematically examine uncertainties from fitting rare earth single-ion crystal electric field (CEF) Hamiltonians to inelastic neutron scattering data. Using pyrochlore and delafossite structures as test cases, we find that uncertainty in CEF parameters can be large despite visually excellent fits. These results show Yb ^{3+} 3 + compounds have particularly large g g -tensor uncertainty because of the few available peaks. In such cases, additional constraints are necessary for meaningful fits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

A conceptual evaluation framework for the water and sanitation for health facility improvement tool (Wash Fit)

Healthcare facilities (HCFs) in low- and middle-income countries frequently lack water, sanitation and hygiene (WASH) services that are adequate to implement infection prevention and control (IPC) practices, decrease healthcare-associated infections and antimicrobial resistance, and provide quality healthcare. The Water and Sanitation for Health Facility Improvement Tool (WASH FIT), initially published in 2017 and updated in 2018, is a risk-based, continuous improvement framework. The tool aims to improve WASH and related facility management and may contribute to quality of care (QoC) efforts. To date, there is no guidance available on how to monitor and evaluate the use of this tool nor is there rigorous evidence on its effectiveness. We developed a conceptual WASH FIT evaluation framework by drawing from the broader WASH, health systems strengthening, and QoC evidence base. This framework provides a common basis to plan, implement, monitor, and evaluate potential inputs, outputs, outcomes, and impacts from applying WASH FIT. Routine use of the tool, coupled with WASH infrastructure improvements as guided by the tool, can lead to better IPC practices, and may support improvements in occupational safety, QoC, global health security, and ultimately progress towards achieving Sustainable Development Goals 3 (good health and well-being) and 6 (clean water and sanitation).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Comments on Different techniques for finding best-fit parameters

A common data analysis problem is to find best-fit parameters through chi-square minimization. Levenberg-Marquardt is an often used system that depends on gradients and converges when successive iterations do not change chi-square more than a specified amount. We point out in cases where the sought-after parameter weakly affects the fit and cases where the overall scale factor is a parameter, that a Golden Search technique can often do better. The Golden Search converges when the best-fit point is within a specified range and that range can be made arbitrarily small. It does not depend on the value of chi-square.

97 MATHEMATICS AND COMPUTING↗