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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 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Lattice QCD study of the Boer-Mulders effect in a pion

The three-dimensional momenta of quarks inside a hadron are encoded in transverse momentumdependent parton distribution functions (TMDs). Our work presents an exploratory lattice QCD study of a TMD observable in the pion describing the Boer-Mulders effect, which is related to polarized quark transverse momentum in an unpolarized hadron. The primary goal is to gain insight into the behavior of TMDs as a function of a Collins-Soper evolution parameter, $\hat{ζ}$, which quantifies the rapidity difference between the hadron momentum and a vector describing the trajectory of the struck quark, e.g., in a semiinclusive deep-inelastic scattering (SIDIS) process. The lattice calculation, performed at the pion mass m π = 518 MeV, utilizes a definition of TMDs via hadronic matrix elements of a quark bilocal operator with a staple-shaped gauge connection; in this context, the evolution parameter is related to the staple direction. By parametrizing the aforementioned matrix elements in terms of invariant amplitudes, the problem can be cast in a Lorentz frame suited for the lattice calculation. Aided by the lower mass of the pion, compared to the nucleon studied previously, the present investigation of pion TMD observables constitutes an important step towards the quantitative study of the physically important regime of large relative rapidity where the dependence on $\hat{ζ}$ appears to approach a limit. Even though matching to perturbative evolution equations in $\hat{ζ}$ is not yet available, extrapolations based on Ansätze containing inverse powers of $\hat{ζ}$ yield stable results with an uncertainty as low as 20%, and both upper and lower bounds for the asymptotics are obtained. In passing, the similarity between the Boer-Mulders effects extracted in the pion and the nucleon is indicated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Uncertainty quantification and propagation in nuclear density functional theory

Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going eff orts seek to better root nuclear DFT in the theory of nuclear forces, energy functionals remain semi-phenomenological constructions that depend on a set of parameters adjusted to experimental data in fi nite nuclei. In this study, we review recent eff orts to quantify the related uncertainties, and propagate them to model predictions. In particular, we cover the topics of parameter estimation for inverse problems, statistical analysis of model uncertainties and Bayesian inference methods. Illustrative examples are taken from the literature.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Revisited reaction-diffusion model of thermal desorption spectroscopy experiments on hydrogen retention in material

Desorption phase of thermal desorption spectroscopy (TDS) experiments performed on tungsten samples exposed to flux of hydrogen isotopes in fusion relevant conditions is analyzed using a reaction-diffusion model describing hydrogen retention in material bulk. Two regimes of hydrogen desorption are identified depending on whether hydrogen trapping rate is faster than hydrogen diffusion rate in material during TDS experiments. In both regimes, a majority of hydrogen released from material defects is immediately outgassed instead of diffusing deeply in material bulk when the evolution of hydrogen concentration in material is quasi-static, which is the case during TDS experiments performed with tungsten samples exposed to flux of hydrogen isotopes in fusion related conditions. In this context, analytical expressions of the hydrogen outgassing flux as a function of the material temperature are obtained with sufficient accuracy to describe main features of thermal desorption spectra (TDSP). These expressions are then used to highlight how characteristic temperatures of TDSP depend on hydrogen retention parameters, such as trap concentration or activation energy of detrapping processes. The use of Arrhenius plots to characterize retention processes is then revisited when hydrogen trapping takes place during TDS experiments. Retention processes are also characterized using the shape of desorption peaks in TDSP, and it is shown that diffusion of hydrogen in material during TDS experiment can induce long desorption tails visible aside desorption peaks at high temperature in TDSP. These desorption tails can be used to estimate activation energy of diffusion of hydrogen in material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Above and belowground connections and species interactions: Controls over ecosystem fluxes

The ultimate goal of this work was to quantify soil and volatile organic compound fluxes as a function of tree species and associated mycorrhizal associations in an intact forest, but also to describe the physical and biological factors that control these emissions. The results of this research lay the foundation toward an improved mechanistic understanding of carbon pathways, fluxes, and ecosystem function, ultimately improving the representation of forest ecosystems in Earth System models. To this end, a multidisciplinary approach was necessary to fill a critical gap in our understanding of how soil and root processes may influence whole-ecosystem carbon-based volatile fluxes in the face of a rapidly changing climate. We developed a series of novel sampling protocols and coupled a variety of advanced analytical techniques, resulting in findings relevant across disciplines. Furthermore, we leveraged existing infrastructure, research sites, and datasets to design a low-cost exploratory project that links belowground processes, soil volatile emissions, and total ecosystem carbon budgets. Measurements from soil collars installed across a species/mycorrhizal gradient at the DOE-supported Moran Monroe State Forest Ameriflux tower site suggest that leaf litter is the primary source of belowground and forest floor volatile emissions, but the strength of this source is significantly affected not only by leaf litter type, but the strength of the soil as a sink. Results suggest that the strength of the sink is influenced by tree species-specific associated microbial communities that change throughout the season as a function of temperature, soil moisture, leaf litter inputs, and phenology. The magnitude of the observed volatile fluxes from the forest floor is small relative to total aboveground ecosystem flux, but the contribution of these emissions to volatile-mediated ecological interactions and soil processes (e.g. nitrification) varies substantially across the growing season. This research lays the foundation to answer important questions regarding the impacts of seasonality and forest composition on belowground volatile source-sink dynamics in mediating nutrient cycling and biogeochemistry dynamics—critical components of overall ecosystem functioning. In collaboration with the Environmental Simulations Unit (EUS) at the Helmholtz Zentrum in Munich, Germany (headed by Prof. Dr. Joerg-Peter Schinitzler), we investigated carbon investment in above and belowground plant volatile compounds in response to environmental conditions and mycorrhizal associations. Using the sophisticated phytotron facility and on-line trace gas instruments, we conducted controlled laboratory experiments that showed that biotic stresses, such as herbivore feeding, can alter the magnitude of belowground volatile emissions as well as carbon allocation towards these volatiles. We saw no effect of mycorrhizae on any induced response, suggesting that microbial effects were unrelated to source-sink dynamics driving terpene emissions. Furthermore, the results suggest that even though enzyme activity responsible for root volatile synthesis is up-regulated following herbivory, the sink strength of the soil can significantly impact what is measured at the soil/atmosphere interface and thereby what enters the atmosphere. This is important as scientists may be underestimating the magnitude of belowground volatile emissions and their influence on belowground interactions due to limitations associated with current sampling techniques. These key findings are being integrated with results from a hydroxyl radical reactivity-VOC campaign and a late season litter removal experiment to offer a comprehensive mechanistic understanding of the sources and controls over soil volatile emissions, particularly during times of the year when vegetative aboveground emissions are low (leaf senescence). Ultimately, these coupled field and laboratory experiments offer insights into seasonal dynamics of volatile emissions and the mechanisms that control carbon allocation to these compounds with an eye towards improving carbon budgets, nutrient cycling, and terrestrial ecosystem models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A study of convective core overshooting as a function of stellar mass based on two-dimensional hydrodynamical simulations

ABSTRACT We perform two-dimensional (2D) numerical simulations of core convection for zero-age main-sequence stars covering a mass range from 3 to 20 M⊙. The simulations are performed with the fully compressible time-implicit code music. We study the efficiency of overshooting, which describes the ballistic process of convective flows crossing a convective boundary, as a function of stellar mass and luminosity. We also study the impact of artificially increasing the stellar luminosity for 3 M⊙ models. The simulations cover hundreds to thousands of convective turnover time-scales. Applying the framework of extreme plume events previously developed for convective envelopes, we derive overshooting lengths as a function of stellar masses. We find that the overshooting distance (dov) scales with the stellar luminosity (L) and the convective core radius (rconv). We derive a scaling law $d_{\rm ov} \propto L^{1/3} r_{\rm conv}^{1/2}$, which is implemented in a one-dimensional stellar evolution code and the resulting stellar models are compared to observations. The scaling predicts values for the overshooting distance that significantly increase with stellar mass, in qualitative agreement with observations. Quantitatively, however, the predicted values are underestimated for masses ≳10 M⊙. Our 2D simulations show the formation of a nearly adiabatic layer just above the Schwarzschild boundary of the convective core, as exhibited in recent three-dimensional simulations of convection. The most luminous models show a growth in size with time of the nearly adiabatic layer. This growth seems to slow down as the upper edge of the nearly adiabatic layer gets closer to the maximum overshooting length and as the simulation time exceeds the typical thermal diffusive time-scale in the overshooting layer.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Status and Availability of OPTD, the Out-of-Pile Transient Database

The DOE Advanced Reactor Technology program has supported knowledge preservation efforts to recover and preserve fuel data from the US sodium cooled fast reactor (SFR) program. Databases have been established containing experimental data generated during the Integral Fast Reactor program (from in-pile experiments at EBR-II, FFTF, and TREAT) and during related outof-pile examinations of EBR-II-irradiated fuels. The information in these databases is essential to support further development and licensing activities for advanced fast reactor designs. OPTD, the Out-of-Pile Transient Database, is an organized, searchable archive of records describing out-ofpile furnace transient tests conducted on metallic fuels. It includes records of over 150 tests on irradiated fuel pins conducted in furnace apparatuses constructed in the Alpha-Gamma Hot Cell Facility at ANL. This report presents the content, functions, and accessibility of the Out-of-Pile Transient Database (OPTD). It describes the information presently available in the database, the web interface created to provide access to this information, the activities undertaken to build OPTD, and the enabling of online access to the database for DOE users. Plans for FY2021 and beyond are also included.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Collaborative Fault Tolerant Control of Non-Signalized Intersections for Connected and Autonomous Vehicles

With the potential of increased penetration of connected and autonomous vehicles (CAVs), intersectional signal control faces new challenges in terms of its operation and implementation. One possibility is to fully make use of the communication capabilities of CAVs so that intersectional signal control can be realized by CAVs alone – this leads to non-signalized intersectional operation for traffic networks in urban areas. In this paper, the state-of-the-art on collaborative fault tolerant control schemes for complex systems will be briefly described. This is then followed by the formulation of operational fault tolerant control that realizes the collaborative fault tolerance functionality at CAVs operational level in response to possible individual vehicle faults, where detailed modelling using vehicle movement dynamics will be described together with the construction of fast fault diagnosis and a collaborative fault tolerant control algorithm. A simple example will be given as well to demonstrate the proposed algorithm together with the discussions on other issues such as randomness of the system, communication errors and full energy consideration. These leads to several future directions of the research for the traffic flow control of non-signalized intersections with 100% penetration of CAVs.

Wang, Hong↗
DOE OSTI2023

Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230

Pfs230 is essential for Plasmodium falciparum transmission to mosquitoes and is the protein targeted by the most advanced malaria-transmission-blocking vaccine candidate. Prior understanding of functional epitopes on Pfs230 is based on two monoclonal antibodies (mAbs) with moderate transmission-reducing activity (TRA), elicited from subunit immunization. Here, we screened the B cell repertoire of two naturally exposed individuals possessing serum TRA and identified five potent mAbs from sixteen Pfs230 domain-1-specific mAbs. Structures of three potent and three low-activity antibodies bound to Pfs230 domain 1 revealed four distinct epitopes. Highly potent mAbs from natural infection recognized a common conformational epitope that is highly conserved across P. falciparum field isolates, while antibodies with negligible TRA derived from natural infection or immunization recognized three distinct sites. Our study provides molecular blueprints describing P. falciparum TRA, informed by contrasting potent and non-functional epitopes elicited by natural exposure and vaccination.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Tearing and reliability of photovoltaic module backsheets

We report that the backsheet in photovoltaic modules belongs to an important class of layered materials where the tearing behavior of the individual layers does not necessarily represent the tearing behavior of the entire backsheet. Such characteristic arises from the interaction between the individual layers during the tearing process, where one layer of the backsheet is mechanically constrained by its neighboring layers and the layers may debond from each other. The mechanical constraint and debonding change the amount of energy dissipated during tearing and affect the overall tearing energy. In this article, we exposed a wide selection of backsheets with polymers including ethylene-vinyl acetate (EVA), polyethylene terephthalate (PET), polyvinylidene fluoride (PVDF), and ethylene tetrafluoroethylene (ETFE) to damp heat (85°C/85%RH) for up to 2000 hours. We report on the effect of damp heat on the tearing energy as a function of damp heat exposure. We developed a model that describes the tearing energy of a layered structure by accounting for the tearing of the individual layers in the backsheet, the effect of mechanical constraint, and the adhesive debonding between the layers. Additionally, we explore the relationship between the microstructural change in the polymers which resulted from the damp heat exposure and the mechanical properties using modulated differential scanning calorimetry (MDSC), small and wide angle X-ray scattering (SAXS and WAXS), and tensile testing.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Target highlights from the first post-PSI CASP experiment (CASP12, May–August 2016)

In this paper, the functional and biological significance of the selected CASP12 targets are described by the authors of the structures. Finally, the crystallographers discuss the most interesting structural features of the target proteins and assess whether these features were correctly reproduced in the predictions submitted to the CASP12 experiment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Energy-peak based method to measure top quark mass via B -hadron decay lengths

We develop a method for the determination of the top quark mass using the distribution of the decay length of the B -hadrons originating from its decay. This technique is based on our earlier observation regarding the location of the peak of the b quark energy distribution. Such “energy-peak” methods enjoy a greater degree of model-independence with respect to the kinematics of top quark production compared to earlier proposals. The CMS experiment has implemented the energy-peak method using associated b -jet energy as an approximation for b quark energy. The new method uses B -hadron decay lengths, which are related to b quark energies by convolution. The advantage of the new decay length method is that it can be applied in a way that evades jet-energy scale (JES) uncertainties. Indeed, CMS has measured the top quark mass using B -hadron decay lengths, but they did not incorporate the energy-peak method. Therefore, mismodeling of top quark transverse momentum remains a large uncertainty in their result. We demonstrate that, using energy-peak methods, this systematic uncertainty can become negligible. We show that with the current LHC data set, a sub-GeV statistical uncertainty on the top quark mass can be attained with this method. To achieve a comparable systematic uncertainty as is true for many methods based on exclusive or semi-inclusive observables using hadrons, we find that the quark-hadron transition needs to be described significantly better than is the case with current fragmentation functions and hadronization models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Microscopic entropy of AdS3 black holes revisited

A bstract We revisit the microscopic description of AdS 3 black holes in light of recent progress on their higher dimensional analogues. The grand canonical partition function that follows from the AdS 3 /CFT 2 correspondence describes BPS and nearBPS black hole thermodynamics. We formulate an entropy extremization principle that accounts for both the black hole entropy and a constraint on its charges, in close analogy with asymptotically AdS black holes in higher dimensions. We are led to interpret supersymmetric black holes as ensembles of BPS microstates satisfying a charge constraint that is not respected by individual states. This interpretation provides a microscopic understanding of the hitherto mysterious charge constraints satisfied by all BPS black holes in AdS. We also develop thermodynamics and a nAttractor mechanism of AdS 3 black holes in the nearBPS regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

3d-3d correspondence for mapping tori

One of the main challenges in 3d-3d correspondence is that no existent approach offers a complete description of 3d N = 2 SCFT T [ M 3 ] — or, rather, a “collection of SCFTs” as we refer to it in the paper — for all types of 3-manifolds that include, for example, a 3-torus, Brieskorn spheres, and hyperbolic surgeries on knots. The goal of this paper is to overcome this challenge by a more systematic study of 3d-3d correspondence that, first of all, does not rely heavily on any geometric structure on M 3 and, secondly, is not limited to a particular supersymmetric partition function of T [ M 3 ]. In particular, we propose to describe such “collection of SCFTs” in terms of 3d N = 2 gauge theories with “non-linear matter” fields valued in complex group manifolds. As a result, we are able to recover familiar 3-manifold invariants, such as Turaev torsion and WRT invariants, from twisted indices and half-indices of T [ M 3 ], and propose new tools to compute more recent q -series invariants Z * ( M 3 ) in the case of manifolds with b 1 > 0. Although we use genus-1 mapping tori as our “case study,” many results and techniques readily apply to more general 3-manifolds, as we illustrate throughout the paper.

Topological Field Theories↗
DOE OSTI2017

Exotic matter on singular divisors in F-theory

We analyze exotic matter representations that arise on singular seven-brane configurations in F-theory. We develop a general framework for analyzing such representations, and work out explicit descriptions for models with matter in the 2-index and 3-index symmetric representations of SU(N) and SU(2) respectively, associated with double and triple point singularities in the seven-brane locus. These matter representations are associated with Weierstrass models whose discriminants vanish to high order thanks to nontrivial cancellations possible only in the presence of a non-UFD algebraic structure. This structure can be described using the normalization of the ring of intrinsic local functions on a singular divisor. We consider the connection between geometric constraints on singular curves and corresponding constraints on the low-energy spectrum of 6D theories, identifying some new examples of apparent “swampland” theories that cannot be realized in F-theory but have no apparent low-energy inconsistency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Singularly Perturbed System of Parabolic Equations in the Critical Case

We examine a system of singularly perturbed parabolic equations in the case where the small parameter is involved as a coefficient of both time and spatial derivatives and the spectrum of the limit operator has a multiple zero point. In such problems, corner boundary layers appear, which can be described by products of exponential and parabolic boundary-layer functions. Under the assumption that the limit operator is a simple-structure operator, we construct a regularized asymptotics of a solution, which, in addition to corner boundary-layer functions, contains exponential and parabolic boudary-layer functions. The construction of the asymptotics is based on the regularization method for singularly perturbed problems developed by S. A. Lomov and adapted to singularly perturbed parabolic equations with two viscous boundaries by A. S. Omuraliev.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A workflow to assess the efficacy of brine extraction for managing injection-induced seismicity potential using data from a CO 2 injection site near Decatur, Illinois

Injection of CO 2 for storage in a geologic formation increases pore pressure and alters in situ stresses. Depending on the orientation of any existing fault and fracture planes, such as critically stressed planes, this stress alteration will modify normal stresses acting on planes and could result in frictional sliding and release stored energy in the form of seismicity. Brine extraction (BE) is a technique that can be applied prior to, or during, CO 2 injection to reduce pore pressure for increasing storage capacity and, potentially, for reducing the likelihood of frictional sliding. Here a workflow is described to assess the efficacy of BE for mitigating frictional sliding (i.e., seismicity) during injection and entails: site characterization, stress calculations and failure assessment, static and dynamic modeling, and BE operational planning. Site characterization describes the stress field used to calculate the Coulomb Failure Function (CFF) that constrains allowable pore pressure changes and injection rates in the numerical simulation of CO 2 injection scenarios. The inclusion of BE in the workflow allows for determination of the potential need for pressure reduction, and evaluation of the effectiveness of this operation. Example application of the workflow using an injection field dataset near Decatur, IL, provides insight on fracture planes and stresses at the site, formation properties and the impact of variable CO 2 injection-rate targets on whether BE plans are required. The study workflow indicates that BE could enhance CO 2 injection rate by 39% and correspondingly reduce the potential for injection-induced seismicity as indicated by a reduction in CFF.

58 GEOSCIENCES↗
DOE OSTI2025

Production of anhydrous ƒ-element fluorides through the ionothermal treatment of ƒ-element oxalates

The pivotal role of uranium and plutonium fluorides in the nuclear fuel cycle, particularly in the pyrochemical reduction process, is well recognized. Traditionally, the fluorination of uranium and plutonium materials relies on the use of highly toxic and corrosive gases (e.g., HF (g) , F 2(g) ). Herein, we present an alternative approach using the ionic liquid 1‑butyl‑3-methylimidazolium hexafluorophosphate ([Bmim][PF 6 ] (l) ) and/or hexafluorophosphoric acid (HPF 6(aq) ) as fluorinating agents for the ƒ-element oxalates M$^{III}_{2}$(C 2 O 4 ) 3 ∙ 9H 2 O (s) M$^{III}_{2}$(C 2 O 4 ) 3 ∙ 9H 2 O (s) (M III = Ce, Pu) and M IV (C 2 O 4 ) 2 ∙ 6H 2 O (s) (M IV = Th, U). Our findings demonstrate that [Bmim][PF 6 ] (l) and HPF 6(aq) enable the ionothermal fluorination of ƒ-element oxalates, resulting in the formation of anhydrous CeF 3(s) , ThF 4(s) , and UF 4(s) within 2 hours at 200 °C. This method also facilitates the partial fluorination of plutonium(III) oxalate, yielding a mixture of anhydrous PuF 3(s) and an unidentified phase. Overall, the ionothermal treatment approach offers a safer and more efficient means of producing anhydrous ƒ-element fluorides than conventional methods involving hazardous gases. In addition, we describe the morphology of UF 4(s) materials as a function of production route and demonstrate the presence of morphological signatures that could be used during a nuclear forensic investigation.

Cerium↗
DOE OSTI2022

Precision Møller polarimetry for PREX-2 and CREX

The PREX-2 and CREX experiments in Hall A at Jefferson Lab are precision measurements of parity violating elastic electron scattering from complex nuclei. One requirement was that the incident electron beam polarization, typically , be known with 1% precision. We commissioned and operated a Møller polarimeter on the beam line that exceeds this requirement, achieving a precision of 0.89% for PREX-2, and 0.85% for CREX. The uncertainty is purely systematic, accumulated from several different sources, but dominated by our knowledge of the target polarization. Our analysis also demonstrates the need for accurate atomic wave functions in order to correct for the Levchuk Effect. We describe the details of the polarimeter operation and analysis, as well as (for CREX) a comparison to results from a different polarimeter based on Compton scattering.

43 PARTICLE ACCELERATORS↗