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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

Precomputing Process Noise Covariance for Onboard Sequential Filters

Process noise is often used in estimation filters to account for unmodeled and mismodeled accelerations in the dynamics. The process noise covariance acts to inflate the state covariance over propagation intervals, increasing the uncertainty in the state. In scenarios where the acceleration errors change significantly over time, the standard process noise covariance approach can fail to provide effective representation of the state and its uncertainty. Consider covariance analysis techniques provide a method to precompute a process noise covariance profile along a reference trajectory using known model parameter uncertainties. The process noise covariance profile allows significantly improved state estimation and uncertainty representation over the traditional formulation. As a result, estimation performance on par with the consider filter is achieved for trajectories near the reference trajectory without the additional computational cost of the consider filter. The new formulation also has the potential to significantly reduce the trial-and-error tuning currently required of navigation analysts. A linear estimation problem as described in several previous consider covariance analysis studies is used to demonstrate the effectiveness of the precomputed process noise covariance, as well as a nonlinear descent scenario at the asteroid Bennu with optical navigation.

onboard↗
NASA NTRS2021

Multi-Pass Sequential Mini-Batch Stochastic Gradient Descent Algorithms for Noise Covariance Estimation in Adaptive Kalman Filtering

Estimation of unknown noise covariances in a Kalman filter is a problem of significant practical interest in a wide array of applications. Although this problem has a long history, reliable algorithms for their estimation were scant, and necessary and sufficient conditions for identifiability of the covariances were in dispute until recently. Necessary and sufficient conditions for covariance estimation and a batch estimation algorithm were presented in our previous study. This paper presents stochastic gradient descent algorithms for noise covariance estimation in adaptive Kalman filters that are an order of magnitude faster than the batch method for similar or better root mean square error. More significantly, these algorithms are applicable to non-stationary systems where the noise covariances can occasionally jump up or down by an unknown magnitude. The computational efficiency of the new algorithms stems from adaptive thresholds for convergence, recursive fading memory estimation of the sample cross-correlations of the innovations, and accelerated stochastic gradient descent algorithms. The comparative evaluation of the proposed methods on a number of test cases demonstrates their computational efficiency and accuracy.

Adaptive Kalman filtering↗
DOE OSTI2020

Tunable Dopants with Intrinsic Counterion Separation Reveal the Effects of Electron Affinity on Dopant Intercalation and Free Carrier Production in Sequentially Doped Conjugated Polymer Films

Carrier mobility in doped conjugated polymers is limited by Coulomb interactions with dopant counterions. This complicates studying the effect of the dopant’s oxidation potential on carrier generation because different dopants have different Coulomb interactions with polarons on the polymer backbone. In this work, dodecaborane (DDB)-based dopants are used, which electrostatically shield counterions from carriers and have tunable redox potentials at constant size and shape. DDB dopants produce mobile carriers due to spatial separation of the counterion, and those with greater energetic offsets produce more carriers. Neutron reflectometry indicates that dopant infiltration into conjugated polymer films is redox-potential-driven. Remarkably, X-ray scattering shows that despite their large 2-nm size, DDBs intercalate into the crystalline polymer lamellae like small molecules, indicating that this is the preferred location for dopants of any size. These findings elucidate why doping conjugated polymers usually produces integer, rather than partial charge transfer: dopant counterions effectively intercalate into the lamellae, far from the polarons on the polymer backbone. Finally, it is shown that the IR spectrum provides a simple way to determine polaron mobility. Overall, higher oxidation potentials lead to higher doping efficiencies, with values reaching 100% for driving forces sufficient to dope poorly crystalline regions of the film.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Observing and Modeling the Sequential Pairwise Reactions that Drive Solid‐State Ceramic Synthesis

Abstract Solid‐state synthesis from powder precursors is the primary processing route to advanced multicomponent ceramic materials. Designing reaction conditions and precursors for ceramic synthesis can be a laborious, trial‐and‐error process, as heterogeneous mixtures of precursors often evolve through a complicated series of reaction intermediates. Here, ab initio thermodynamics is used to model which pair of precursors has the most reactive interface, enabling the understanding and anticipation of which non‐equilibrium intermediates form in the early stages of a solid‐state reaction. In situ X‐ray diffraction and in situ electron microscopy are then used to observe how these initial intermediates influence phase evolution in the synthesis of the classic high‐temperature superconductor YBa 2 Cu 3 O 6+ x (YBCO). The model developed herein rationalizes how the replacement of the traditional BaCO 3 precursor with BaO 2 redirects phase evolution through a low‐temperature eutectic melt, facilitating the formation of YBCO in 30 min instead of 12+ h. Precursor selection plays an important role in tuning the thermodynamics of interfacial reactions and emerges as an important design parameter in planning kinetically favorable synthesis pathways to complex ceramic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Innovative Approach to Recycle Lithium‐Ion Battery Electrolytes via Sequential Chemical Processes

The rapid growth of electric vehicles (EV) has driven the widespread use of lithium-ion batteries (LIBs). This will result in a large amount of spent batteries that if not properly disposed will pose significant environmental damage, especially from the electrolyte. The electrolyte contains lithium hexafluorophosphate (LiPF 6 ), which when treated by either incineration or water washing can generate harmful F- and P-containing substances such as hydrofluoric acid (HF). In this study, an innovative two-step process is presented to separate and purify both the solvents and lithium salts from the spent electrolyte. Antisolvent assisted precipitation is used to selectively isolate LiPF 6 salt in the form of a complex with ethylene carbonate. Subsequent distillation then separates the volatile electrolyte solvents and antisolvent from each other effectively. In addition, a new process to further purify LiPF 6 from its ethylene carbonate (EC) complex is also presented. This electrolyte recycling method not only enables the recovery of the high-value LiPF 6 salt and the electrolyte solvents, but also paves the way for environmentally responsible and circular LIB recycling.

electrolyte↗
DOE OSTI2025

Structural Basis of Sequential Enantioselective Epoxidation by a Flavin‐Dependent Monooxygenase in Lasalocid A Biosynthesis

Abstract Polyether polyketides are a structurally diverse group of natural products known for their antimicrobial and antiproliferative activities. Lasalocid A is a canonical natural polyether produced by the soil bacteriumStreptomyces lasalocidi. In lasalocid A biosynthesis, a polyene polyketide intermediate is converted into a bisepoxide by the flavin‐dependent monooxygenase enzyme Lsd18. Remarkably, Lsd18 acts on two distinct C═C groups in the substrate molecule, forming two (R,R) epoxides. We have determined the X‐ray crystal structures of Lsd18 in the substrate‐free, substrate‐bound, and product‐bound forms. Our work has revealed that Lsd18 has an extra‐large substrate‐binding pocket that allows the polyene to adopt different conformations within the enzyme pocket. This feature enables Lsd18 to epoxidate both of the C═C groups. Additionally, a subpocket located near the Lsd18 active site controls stereoselectivity by dictating which face of the C═C group is placed next to the flavin. Molecular understanding of how Lsd18 transforms a polyene into a bisepoxide during lasalocid A biosynthesis lays the foundation for the production of designer polyethers for drug development.

Chemistry↗
DOE OSTI2022

The LPM effect in sequential bremsstrahlung: analytic results for sub-leading (single) logarithms

Consider the in-medium splitting g → gg of a very high-energy gluon traversing a QCD medium, accounting for the Landau-Pomeranchuk-Migdal (LPM) effect. It has been known for some time that soft radiative corrections to that splitting generate a double-log correction to the splitting rate, whose effects can be absorbed into running of the medium parameter $\hat{q}$ describing the rate of transverse momentum kicks to high-energy particles due to small-angle scattering from the medium. Less has been known about sub-leading, single logarithms in this context. In this paper, we find analytic formulas for those single logs (with various caveats and clarifications).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

The LPM effect in sequential bremsstrahlung: 1/$ {\mathrm{N}}_{\mathrm{c}}^2 $ corrections

An important question concerning in-medium high-energy parton showers in a quark-gluon plasma or other QCD medium is whether consecutive splittings of the partons in a given shower can be treated as quantum mechanically independent, or whether the formation times for two consecutive splittings instead have significant overlap. Various previous calculations of the effect of overlapping formation times have either (i) restricted attention to a soft bremsstrahlung limit, or else (ii) used the large-N c limit (where N c = 3 is the number of quark colors). In this paper, we make a first study of the accuracy of the large-N c limit used by those calculations of overlap effects that avoid a soft bremsstrahlung approximation. Specifically, we calculate the 1/$ {\mathrm{N}}_{\mathrm{c}}^2 $ correction to previous N c = ∞ results for overlap g → gg → ggg of two consecutive gluon splittings g → gg. At order 1/$ {\mathrm{N}}_{\mathrm{c}}^2 $ , there is interesting and non-trivial color dynamics that must be accounted for during the overlap of the formation times.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

The LPM effect in sequential bremsstrahlung: nearly complete results for QCD

The splitting processes of bremsstrahlung and pair production in a medium are coherent over large distances in the very high energy limit, which leads to a suppression known as the Landau-Pomeranchuk-Migdal (LPM) effect. We continue study of the case when the coherence lengths of two consecutive splitting processes overlap (which is important for understanding corrections to standard treatments of the LPM effect in QCD), avoiding soft-emission approximations. Previous work has computed overlap effects for double splitting g → gg → ggg. To make use of those results, one also needs calculations of related virtual loop corrections to single splitting g → gg in order to cancel severe (power-law) infrared (IR) divergences. This paper provides calculations of nearly all such processes involving gluons and discusses how to organize the results to demonstrate the cancellation. In the soft emission limit, our results reproduce the known double-log behavior of earlier authors who worked in leading-log approximation. We also present a first (albeit numerical and not yet analytic) investigation of sub-leading, single IR logarithms. Ultraviolet divergences appearing in our calculations correctly renormalize the coupling αs in the usual LPM result for leading-order g → gg.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

The LPM effect in sequential bremsstrahlung: incorporation of “instantaneous” interactions for QCD

The splitting processes of bremsstrahlung and pair production in a medium are coherent over large distances in the very high energy limit, which leads to a suppression known as the Landau-Pomeranchuk-Migdal (LPM) effect. We continue study of the case when the coherence lengths (formation lengths) of two consecutive splitting processes overlap, avoiding soft-emission approximations. Previous work made a “nearly-complete” calculation of the effect of overlapping formation times on gluonic splittings such as g → gg → ggg (with simplifying assumptions such as an infinite QCD medium and the large-N c limit). In this paper, we extend those previous rate calculations from nearly-complete to complete by including processes involving the exchange of longitudinally-polarized gluons. In the context of Lightcone Pertubation Theory, used earlier for the “nearly-complete” calculation, such exchanges are instantaneous in lightcone time and have their own diagrammatic representation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Sequential oxidation-depolymerization strategies for lignin conversion to low molecular weight aromatic chemicals

Lignin is the largest source of bio-derived aromatic chemicals, and oxidative conversion of this polymeric material can generate valuable oxygenated aromatic compounds. Oxidative depolymerization of lignosulfonate feedstocks under alkaline conditions is used commercially for vanillin production. Recent studies have led to other oxidation methods that access different aromatic products from lignin in good yields. A particularly effective strategy that accesses some of the highest yields of aromatic monomers to date features a two-step process in which the oxidation of specific alcohol groups in lignin is followed by an oxidative, reductive, or redoxneutral step that cleaves the polymer into aromatic monomers and oligomers. Studies of model compounds have provided crucial mechanistic insights and contributed to the development of effective lignin depolymerization methods. Furthermore, this review provides a general overview of lignin depolymerization methods, followed by a survey of oxidation-depolymerization methods that access oxygenated aromatic monomers in good yields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗