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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Fast Automatic Knot Placement Method for Accurate B-spline Curve Fitting

The choice of knot vector has immense influence on the resulting accuracy of a B-spline approximation of a curve. However, despite the significance of this problem and the various solutions that were proposed in the literature, optimizing the number and placement of knots remains a difficult task. This paper presents a novel method for the approximation of a curve by a B-spline of arbitrary order, which automatically determines a knot vector that achieves high approximation quality. Additionally, at the core of our approach is a feature function that characterizes the amount and spatial distribution of geometric details in the input curve by estimating its derivatives. Knots are then selected in such a way as to evenly distribute the feature contents across their intervals. A comparison to the state of the art for a wide variety of curves shows that our method is faster and achieves more accurate reconstruction results, while typically reducing the number of necessary knots.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Tracker Fits for shot 1s1674

Gas gun shock-to-detonation experiments provide data for calibrating HE burn models. At LANL the principal diagnostic is a magnetic gauge package that provides data on the lead shock trajectory, which is used to determine the run-distance to detonation, and the lead shock speed with run distance, which together with jump-off velocity of the velocity gauges determines Hugoniot locus points for the reactants.

42 ENGINEERING↗
NASA NTRS2015

Atmospheric Turbulence Modeling for Aero Vehicles: Fractional Order Fits

Atmospheric turbulence models are necessary for the design of both inlet/engine and flight controls, as well as for studying coupling between the propulsion and the vehicle structural dynamics for supersonic vehicles. Models based on the Kolmogorov spectrum have been previously utilized to model atmospheric turbulence. In this paper, a more accurate model is developed in its representative fractional order form, typical of atmospheric disturbances. This is accomplished by first scaling the Kolmogorov spectral to convert them into finite energy von Karman forms and then by deriving an explicit fractional circuit-filter type analog for this model. This circuit model is utilized to develop a generalized formulation in frequency domain to approximate the fractional order with the products of first order transfer functions, which enables accurate time domain simulations. The objective of this work is as follows. Given the parameters describing the conditions of atmospheric disturbances, and utilizing the derived formulations, directly compute the transfer function poles and zeros describing these disturbances for acoustic velocity, temperature, pressure, and density. Time domain simulations of representative atmospheric turbulence can then be developed by utilizing these computed transfer functions together with the disturbance frequencies of interest.

Atmospheric Turbulence Modeling↗
DOE OSTI2025

A Diazo Linker Ligand Promotes Flexibility and Induced Fit Binding in a Microporous Copper Coordination Network

Abstract Flexible organic linkers represent an intuitive and effective strategy to design flexible metal–organic materials. We report herein a systematic study concerning the effect of varying the central bond of mixed pyridyl‐benzoate linkers, L, upon the flexibility of three isostructuralkddtopology microporous coordination networks (CNs) of formula ML 2 :X‐kdd‐1‐Cu,1= L = (E)‐4‐(pyridin‐4‐yldiazenyl)benzoate;X‐kdd‐2‐Cu,2= L = (E)‐4‐(2‐(pyridin‐4‐yl)vinyl)benzoate; the previously reportedX‐kdd‐3‐Cu,3= L = 4‐(pyridin‐4‐ylethynyl)benzoate. As revealed by single crystal x‐ray diffraction (SCXRD) and gas sorption studies,X‐kdd‐1‐Cu, exhibited gate‐opening during CO 2 and hydrocarbon (C2 and C8) sorption experiments whereas the other two CNs did not. Insight into these phase transformations was gained from in situ variable‐pressure and variable temperature powder X‐ray diffraction (PXRD), SCXRD, and modeling. Rotation of ligand1around the diazo bond, torsion angle changes between phenyl and carboxylate moieties, and deformation of the Cu‐based rod building blocks enabled activatedX‐kdd‐1‐Cuto form new phases with C8 isomers and CH 2 Cl 2 , CH 2 Cl 2 inducing contraction of the activated phase. Computational studies suggest that1enables flexibility thanks to its lower barrier of deformation versus2or3. This study teaches that diazo moieties could offer a general strategy to enhance the flexibility of CNs.

Chemistry↗
DOE OSTI2024

Flavor dependence of unpolarized quark transverse momentum distributions from a global fit

We present an extraction of the unpolarized transverse-momentum-dependent parton distribution and fragmentation functions that takes into account possible differences between quark flavors and final-state hadrons. The extraction is based on experimental measurements from Drell-Yan processes and semi-inclusive deep-inelastic scattering, whose combination is essential to distinguish flavor differences. The analysis is carried out at N 3 LL accuracy. The extracted flavor-dependent distributions give a very good description of the data (χ 2 /N dat = 1.08). The resulting error bands take fully into account also the uncertainties in the determination of the corresponding collinear distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Unpolarized transverse momentum distributions from a global fit of Drell-Yan and semi-inclusive deep-inelastic scattering data

We present an extraction of unpolarized transverse-momentum-dependent parton distribution and fragmentation functions based on more than two thousand data points from several experiments for two different processes: semi-inclusive deep-inelastic scattering and Drell-Yan production. The baseline analysis is performed using the Monte Carlo replica method and resumming large logarithms at N 3 LL accuracy. The resulting description of the data is very good (χ 2 /N dat = 1.06). For semi-inclusive deep-inelastic scattering, predictions for multiplicities are normalized by factors that cure the discrepancy with data introduced by higher-order perturbative corrections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Fitting Matérn smoothness parameters using automatic differentiation

The Mat$\acute{e}$rn covariance function is ubiquitous in the application of Gaussian processes to spatial statistics and beyond. Perhaps the most important reason for this is that the smoothness parameter $\nu$ gives complete control over the mean-square differentiability of the process, which has significant implications for the behavior of estimated quantities such as interpolants and forecasts. Unfortunately, derivatives of the Mat$\acute{e}$rn covariance function with respect to $\nu$ require derivatives of the modified second-kind Bessel function $K$ $\nu$ with respect to $\nu$. While closed form expressions of these derivatives do exist, they are prohibitively difficult and expensive to compute. For this reason, many software packages require fixing $\nu$ as opposed to estimating it, and all existing software packages that attempt to offer the functionality of estimating $\nu$ use finite difference estimates for $\partial$ $\nu$ $K$ $\nu$ . In this work, we introduce a new implementation of $K$$\nu$ that has been designed to provide derivatives via automatic differentiation (AD), and whose resulting derivatives are significantly faster and more accurate than those computed using finite differences. Here, we provide comprehensive testing for both speed and accuracy and show that our AD solution can be used to build accurate Hessian matrices for second-order maximum likelihood estimation in settings where Hessians built with finite difference approximations completely fail.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Combining PCA and nonlinear fitting of peak models to re-evaluate C 1s XPS spectrum of cellulose

Cellulose is an example of a material that responds to XPS by the creation of new chemistry not present in the as-received sample. While improvements in instrumentation may be seen in general as beneficial to surface science, recent studies have shown that the consequences for some materials are detrimental. Here, in this work, these problems are illustrated through an analysis of cellulose spectra obtained during a degradation study. C 1s spectra are decomposed into two well-formed component curves that are open to chemical interpretation. In particular, a component-curve representative of pure cellulose is obtained as well as a second component curve that implies cellulose is degraded through the creation of carbon chemistry involving C—O, C$=$O and O—C$=$O. Since cellulose is a crystalline material, formed through the alignment of molecules under the influence of hydrogen bonds, the analysis and findings presented in this paper are relevant to any material analyzed by XPS whose properties are dependent on hydrogen bonds. The analysis techniques are based on an informed vectorial approach, which extracts directly from data spectral shapes that are used to monitor sample degradation via linear least squares optimization. Related mathematics of Principal Component Analysis and linear analysis are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The efficacy and ecological impact of mercury sorbents on the physiology and reproductive fitness of Daphnia magna

Environmental mercury (Hg) contamination threatens ecosystems due to its bioaccumulation and toxicity. Effective and sustainable remediation strategies are essential, with carbon-based sorbents like biochar (BC) and activated carbon (AC) gaining attention for their high adsorption capacity and cost-effectiveness. However, their ecological impacts remain poorly understood. This study evaluates the Hg removal efficacy and ecological effects of three sorbents—BC, granular AC (GAC), and AC fiber (ACF)—in a flow-through column system with and without Hg additions. We tested Hg removal at two concentrations (1 and 4 µg/L Hg) and assessed chronic exposure effects on a sentinel and sensitive freshwater organism, Daphnia magna, over 30 days of exposure to the columns’ effluent. GAC removed 100 % of Hg, while BC and ACF achieved 99 % removal. The ACF + 4 µg/L Hg effluent induced 70 % lethality in D. magna after nearly three weeks of exposure, while the GAC effluent significantly reduced fecundity, even in the absence of Hg exposure. In contrast, the BC effluent enhanced reproductive output, likely due to inputs of carbon and nitrogen in the effluent. These findings highlight the need to balance Hg removal efficacy with ecological safety, emphasizing the importance of considering both remediation effectiveness and potential environmental impacts.

Activated carbon↗