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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Independent normalization for γ -ray strength functions: The shape method

Here, the shape method, a novel approach to obtain the functional form of the γ-ray strength function (γSF), is introduced. In connection with the Oslo method the slope of the nuclear level density (NLD) and γSF can be obtained simultaneously even in the absence of neutron resonance spacing data. The foundation of the shape method lies in the primary γ-ray transitions which preserve information on the functional form of the γSF. The shape method has been applied to 56 Fe, 92 Zr, and 164 Dy, which are representative cases for the variety of situations encountered in typical NLD and γSF studies. The comparisons of results from the shape method to those from the Oslo method demonstrate that the functional form of the γSF is retained regardless of nuclear structure details or J π values of the states fed by the primary transitions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Minimum feature size control in level set topology optimization via density fields

A level set topology optimization approach that uses an auxiliary density field to nucleate holes during the optimization process and achieves minimum feature size control in optimized designs is explored. The level set field determines the solid-void interface and the density field describes the distribution of a fictitious porous material using the solid isotropic material with penalization. These fields are governed by two sets of independent optimization variables which are initially coupled using a penalty for hole nucleation. The strength of the density field penalization and projection is gradually increased during the optimization process to promote a 0-1 density distribution. In addition, a second penalty regulates the evolution of the density field in the void phase. The treatment of the density field combined with the second penalty mitigate the appearance of small design features. The minimum feature size of optimized designs is controlled by the radius of the linear filter applied to the density optimization variables. The structural response is predicted by the extended finite element method, the sensitivities by the adjoint method, and the optimization variables are updated by a gradient-based optimization algorithm. Numerical examples investigate the robustness of this approach with respect to algorithmic parameters and mesh refinement. The results show the applicability of the combined density level set topology optimization approach for both optimal hole nucleation and for minimum feature size control in 2D and 3D. This comes, however, at the cost of a more complex problem formulation and additional computational cost due to an increased number of optimization variables.

42 ENGINEERING↗
DOE OSTI2020

Improving the probability tables of the cross section of near closed-shell nuclei [Slides]

The level density distribution of near closed-shell nuclei is much lower than the typical nucleus, therefore, the cross sections show significant fluctuations, and these fluctuations are not predictable. The current methodology used to describe such behavior and construct the probability table of the cross section is based on the extrapolation of the average resonance widths and average resonance spacings from the resonance region and use these parameters to construct the probability table. Although this is a standard and widely used technique, it does not take into account the existing experimental data, such for total and the elastic cross section. Our goal is to extend the current theory and provide a more general approach to compute the probability distribution function of the cross section combining the existing probability tables and the available experimental data. Results will be presented for 90 Zr.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

Using DAPPER to extract the photon strength function of 58 Fe using the inverse Oslo and shape methods

The photon strength function of 58 Fe has been extracted using both the Oslo and Shape methods from particle–γ coincidence data measured using the Detector Array for Photons, Protons, and Exotic Residues, which probes nuclei utilizing (d,p) reactions in inverse kinematics. Four particle–γ coincidence matrices, each constructed with different treatments of the γ–ray energies, are explored in order to observe the impact on the resulting nuclear level density and photon strength. The final photon strength function reported is found to agree well with previous Oslo measurements of other iron isotopes. Systematic uncertainties are included, using different model parameters and their reported errors to perform the Oslo method normalization. The model-independent Shape method is explored and the functional form of the photon strength function obtained is in agreement with the Oslo method results. A low-energy enhancement is not reported for 58 Fe in this work given possible subtraction issues originating from strongly populated states.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

First simultaneous measurement of the γ-ray and neutron emission probabilities in inverse kinematics at a heavy-ion storage ring

The probabilities for γ-ray and particle emission as a function of the excitation energy of a decaying nucleus are valuable observables for constraining the ingredients of the models that describe the deexcitation of nuclei near the particle emission threshold. These models are essential in nuclear astrophysics and applications. In this paper, we have for the first time simultaneously measured the γ-ray and neutron emission probabilities of 208 Pb. The measurement was performed in inverse kinematics at the Experimental Storage Ring (ESR) of the GSI/FAIR facility, where a 208 Pb beam interacted through the 208 Pb (p,p') reaction with a hydrogen gas jet target. Instead of detecting the γ rays and neutrons emitted by 208 Pb, we detected the heavy beamlike residues produced after γ and neutron emission. These heavy residues were fully separated by a dipole magnet of the ESR and were detected with outstanding efficiencies. The comparison of the measured probabilities with model calculations has allowed us to test and select different descriptions of the γ-ray strength function and the nuclear level density available in the literature.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Ab-Initio Investigation of Finite Size Effects in Rutile Titania Nanoparticles with Semilocal and Nonlocal Density Functionals

In this work, we employ hybrid and generalized gradient approximation (GGA) level density functional theory (DFT) calculations to investigate the convergence of surface properties and electronic gap of rutile titania nanoparticles with particle size. The surface energies and electronic gaps are calculated for cuboidal particles with minimum dimension ranging from 3.7 Angstrom (24 atoms) to 10.3 Angstrom (384 atoms) using a highly-parallel real-space DFT code to enable hybrid level DFT calculations of larger nanoparticles than are typically practical. We deconvolute the geometric and electronic finite size effects in surface energy, and evaluate the influence of defects on electronic gap and density of states (DOS). The electronic finite size effects in surface energy vanish when the minimum length scale of the nanoparticles becomes greater than 10 Angstrom. We show that this length scale is consistent with a computationally efficient numerical analysis of the characteristic length scale of electronic interactions. The surface energy of nanoparticles having minimum dimension beyond this characteristic length can be approximated using slab calculations that account for the geometric defects. In contrast, the finite size effects on the electronic gap and DOS is highly dependent on the shape and size of these particles. Furthermore, the DOS for cuboidal particles and more realistic particles constructed using the Wulff algorithm reveal that defect states within the electronic gap play a key role in determining the eigen value distribution of nanoparticles and the electronic gap does not converge to the bulk limit for the particle sizes investigated.

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

Effect of hatch spacing and laser power on microstructure, texture, and thermomechanical properties of laser powder bed fusion (L-PBF) additively manufactured NiTi

This study systematically evaluates the effects of laser powder bed fusion additive manufacturing (L-PBF-AM) parameters (hatch spacing and laser power) on the thermomechanical behavior and microstructure of Ni 50.8 Ti 49.2 shape memory alloy. The samples were fabricated with hatch spacings from 40 to 240 µm and laser powers of 50 and 100 W at a constant scanning speed of 125 mm/s, resulting in parts with volumetric energy density levels from 55 to 666 J/mm 3 and two sets of linear energy densities of 0.4 and 0.8 J/mm. The results showed a reduced melt pool size and discontinuity of scan tracks with decreased laser power. Additionally, the porosity level was increased with larger hatch spacing and lower laser power. More notably, the transformation temperatures increased, and the critical stress, recoverable strain, and functional stability of samples improved with lower hatch spacing, where the recovery ratio of up to 90% was observed, regardless of the employed laser power. This study also discussed the relationship between the fabrication process and texture formation in the L-PBF-AM process. In conclusion, the advantage of L-PBF-AM was revealed in tailoring the microstructure from highly textured samples in [1 1 1] or [0 0 1] direction when hatch spacing lower than laser beam focused was employed, to the appearance of equiaxed solidification front with island grains and random orientations.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A group finder algorithm optimised for the study of local galaxy environments

Context. The majority of galaxy group catalogues available in the literature use the popular friends-of-friends algorithm which links galaxies using a linking length. One potential drawback to this approach is that clusters of points can be linked with thin bridges which may not be desirable. In order to study galaxy groups, it is important to obtain realistic group structures. Aim. Here, in this study, we present a new simple group finder algorithm, TD-ENCLOSER, that finds the group that encloses a target galaxy of interest. Methods. TD-ENCLOSER is based on the kernel density estimation method which treats each galaxy, represented by a zero-dimensional particle, as a two-dimensional circular Gaussian. The algorithm assigns galaxies to peaks in the density field in order of density in descending order (‘top down’) so that galaxy groups ‘grow’ around the density peaks. Outliers in under-dense regions are prevented from joining groups by a specified hard threshold, while outliers at the group edges are clipped below a soft (blurred) interior density level. Results. The group assignments are largely insensitive to all free parameter variations apart from the hard density threshold and the kernel standard deviation, although this is a known feature of density-based group finder algorithms and it operates with a computing speed that increases linearly with the size of the input sample. In preparation for a companion paper, we also present a simple algorithm to select unique representative groups when duplicates occur. Conclusions. TD-ENCLOSER is tested on a mock galaxy catalogue using a smoothing scale of 0.3 Mpc and is found to be able to recover the input group distribution with sufficient accuracy to be applied to observed galaxy distributions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Progress on the R-matrix Analysis for the n+ 181 Ta Evaluation [Slides]

This presentation discusses how nuclear data evaluations can influence the accuracy of computational nuclear design calculations. It also discusses the motivation for a new evaluation of 181 Ta. The goals of the evaluations are to generate a set of resonance parameters in the Resolved Resonance Region (RRR) that extends up to 2.6 keV, to generate a set of average resonance parameters in the Unresolved Resonance Region (URR) up to 100 keV (derived from the RRR parameters), and to generate covariance information for both RRR and URR. The presentation discusses how several different experimental data sets will be fit simultaneously in the evaluation of 181 Ta. It states that the level density of 181 Ta can make R-matrix fitting a challenge as the width of the levels increase with energy (as well as decreasing experimental resolution) and the measured resonances can overlap. The presentation concludes by discussing R-matrix analysis and covariance information as the latter is important when propagated to quantify the uncertainty on output responses of nuclear design calculations such as the multiplication factor k .

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

Enhanced Isomer Population via Direct Irradiation of Solid-Density Targets Using a Compact Laser-Plasma Accelerator

Excitation of long-lived states in bromine nuclei using a tabletop laser-plasma accelerator providing pulsed (<100 fs) electron beams provided a sensitive probe of γ strength and level densities in the nuclear quasicontinuum and may indicate angular momentum coupling through electron-nuclear interactions. Solid-density active $LaBr_{3}$ targets absorb real and virtual photons up to 35 ± 2.5 MeV and deexcite through γ cascade into different states. Here, a factor of 4.354 ± 0.932 enhancement of the $^{80}Br^{m}/^{80}Br^{g}$ isomeric ratio was observed following electron irradiation, as compared to bremsstrahlung. Additional angular momentum transfer could possibly occur through nuclear-plasma or electron-nuclear interactions enabled by the ultrashort electron beam. Further investigation of these mechanisms could have far-reaching impact including decreased storage of long-term nuclear waste and an improved understanding of heavy element formation in astrophysical settings.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Energy-dependent optimization of the prompt fission neutron spectrum with CGMF

Throughout the course of FY21, significant effort was put into investigating models within the LANL developed Hauser-Feshbach fission fragment decay code, CGMF, to understand and potentially solve the long-standing challenge of a too-soft prompt fission neutron spectrum, PFNS. Several inputs and models to CGMF were investigated, including the discrete nuclear levels, the optical model potential, level densities, and the fission fragment initial conditions. Some of the global models within CGMF led to a slight hardening of the neutron spectrum—particularly the likely incomplete discrete levels in through which γ-rays decay—but none of the changes where large enough for the tail of the PFNS to reproduce experimental data. A significant hardening of the spectrum tail was observed when the fission fragment initial conditions were optimized based on their sensitivities to the PFNS data for thermal incident neutrons. In this way, the parameters for the CGMF mass and total kinetic energy distributions, along with the spin cutoff factor were adjusted to better reproduce the experimental PFNS measurements. This optimization hardened the tail of the PFNS slightly but led to unphysical mass distributions for the fission fragments before neutron emission. It was clear from the above that we do not expect to be able to produce an evaluation-quality PFNS with CGMF in the near future. Challenges at thermal will persist–and possibly worsen–with increasing incident energy, where more models are needed to completely describe the fission. Basic-science research funding exceeding the amount available and scope of our NCSP funds would be needed to tackle this decade-long challenge impacting many fission-fragment event generator. And, in fact, Amy Lovell won LDRD ECR funding to do so over the next few years. Therefore, we focused in FY22 on extending evaluation capabilities beyond thermal incident neutrons, to take into account the incident energy dependence of the PFNS and fission fragment initial condition distributions in CGMF. We chose to set up the evaluation methodology to perform PFNS evaluations with CGMF across incident-neutron energies, in order to have it readily available for future NCSP evaluations when the PFNS from CGMF has improved. In this report, we outline the evaluation methodology, along with the results of the optimization, including full model calculations with CGMF using the evaluated parameters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Satellite-based aerosol optical depth estimates over the continental U.S. during the 2020 wildfire season: Roles of smoke and land cover

Wildfires produce smoke that can affect an area >1000 times the burn extent, with far-reaching human health, ecologic, and economic impacts. Accurately estimating aerosol load within smoke plumes is therefore crucial for understanding and mitigating these impacts. We evaluated the effectiveness of the latest Collection 6.1 MODIS Multi-Angle Implementation of Atmospheric Correction (MAIAC) algorithm in estimating aerosol optical depth (AOD) across the U.S. during the historic 2020 wildfire season. We compared satellite-based MAIAC AOD to ground-based AERONET AOD measurements during no-, light-, medium-, and heavy-smoke conditions identified using the Hazard Mapping System Fire and Smoke Product. This smoke product consists of maximum extent smoke polygons digitized by analysts using visible band imagery and classified according to smoke density. We also examined the strength of the correlations between satellite- and ground-based AOD for major land cover types under various smoke density levels. MAIAC performed well in estimating AOD during smoke-affected conditions. Correlations between MAIAC and AERONET AOD were strong for medium- (r = 0.91) and heavy-smoke (r = 0.90) density, and MAIAC estimates of AOD showed little bias relative to ground-based AERONET measurements (normalized mean bias = 3 % for medium, 5 % for heavy smoke). During two high AOD, heavy smoke episodes, MAIAC underestimated ground-based AERONET AOD under mixed aerosol (i.e., smoke and dust; median bias = −0.08) and overestimated AOD under smoke-dominated (median bias = 0.02) aerosol. MAIAC most overestimated ground-based AERONET AOD over barren land (mean NMB = 48 %). Our findings indicate that MODIS MAIAC can provide robust estimates of AOD as smoke density increases in coming years. Increased frequency of mixed aerosol and expansion of developed land could affect the performance of the MAIAC algorithm in the future, however, with implications for evaluating wildfire-associated health and welfare effects and air quality standards.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Development of Solid Synchronous Reluctance Rotors With Multi-Material Additive Manufacturing

Synchronous reluctance (SynR) machines are promising rare-earth material-free alternatives to permanent magnet machines. However, structural challenges limit their operating speed and power density. This paper proposes and investigates multi-material additive manufacturing (MMAM) as a key-enabler to realize power-dense and high-speed SynR machines. It does so by proposing designs that guide magnetic flux through solid rotors realized by selective placement of magnetic and non-magnetic materials. To explore this concept, first, material samples are additively manufactured and experimentally characterized to assess the structural and magnetic properties that can be expected for the proposed rotors. Second, the design space of each rotor type is explored using these measured properties within finite element analysis. The results reveal that MMAM can enable fabrication of SynR motors with power density levels that are at the leading edge of all conventional electric machine topologies. It is shown that tip speeds in excess of 300 m/s can be achieved, resulting in 3-4x improvement in power density over conventional SynR motors. A solid SynR rotor is printed in an experimental MMAM laser powder bed fusion system. The rotor is paired with an existing stator to create a functional SynR motor with a saliency ratio of 2.59 and torque rating of 4.15 Nm. This is the first publication of a SynR rotor prototype constructed via MMAM.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Semi-classical approximation description of static properties of nuclei

In this report, we present recent development in semi-classical description of static properties of nuclei. By employing the Wigner transform, we derive simple semiclassical approximations for evaluating properties of nuclear system. We present results of calculations of static properties, using the energy density functional associated with Skyrme effective nucleon–nucleon interaction. In particular, we consider properties of the Wigner distribution function, line of beta stability, Coulomb and symmetry energies, deformation energies, equation of state, nuclear radii, and single-particle level density.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Synthesizing, Compounding, and Characterizing a Heat Labile Polyurethane Foam

ABSTRACT A need exists for a packaging foam material that can be converted from solid to gaseous degradation products at reasonably low energy levels or temperatures, such as 100O C. This paper will primarily discuss the approaches currently being used to synthesize and characterize such a material. These approaches include the incorporation of novel polyols such as azo containing diols, polycarbonate diols, and polypropylene carbonate polyols into polyurethane foams. Characterization methods include NMR, FTIR, TGA, finite element analysis, impact strength, and others. This project will be funded for a duration of three years. Year 1 focused on developing the proposed test methods and producing an initial rigid polyurethane foam. Year 2 focuses on refining the materials and test methods. If appropriate, design of experiment (doe) techniques will be used to optimize components, component levels, density and other variables to attain required final material properties (TGA weight loss, impact strength, etc.). Year 3 focuses on scaling up to larger engineering quantities. The application for this material is in load securement for transportation of low level radioactive waste materials within the US Department of Energy (DOE) complex. Foam in place process equipment and operators will be shielded using this novel method over current practice. Current practice can involve time consuming methods of load securement in low level radiation environments. This new technique would eliminate exposure time securing the load and greatly improve the As Low As Reasonably Attainable (ALARA) conditions. The objective is to progress to higher Technical Readiness Levels (TRL) and larger pilot scale quantities. This paper discusses methodologies and presents current results to date.

Kranjc, Mark D.↗
DOE OSTI2021

Prospects for Surrogate Neutron Capture Measurements with Radioactive Ion Beams and GODDESS

Neutron capture reactions are responsible for the synthesis of almost all of the elements heavier than iron through the slow s-process, that proceeds close to the line of stability, and the rapid r-process, with very neutron-rich waiting points. Uncertainties in (n,γ) rates in neutron rich nuclei, especially near closed neu- tron shells, can have significant impact [1] on the predictions of final abundances for different astrophysical scenarios for the r process. Understanding (n,γ) rates on neutron-rich fission fragments is also important for nuclear forensics and stockpile stewardship science. Ratkiewicz et al. [2 and references therein] has recently demonstrated that the (d,pγ) reaction is a valid surrogate for (n,γ), where the formation of the compound nucleus from the breakup of the deuteron has been calculated in a reaction model and the subsequent measured gamma-decay probabilities are reproduced with standard level density and strength functions in a Bayesian approach. In parallel to the surrogate validation efforts, we have demonstrated that the (d,pγ) reaction can be measured in inverse kinematics with Gammasphere ORRUBA: Dual Detectors for Experimental Structure Studies (GODDESS) [3] where the Gammasphere array of Compton-suppressed HPGe detectors is coupled to the Oak Ridge Rutgers University Barrel Array of position-sensitive silicon strip detectors. During the commissioning campaign we measured the (d,pγ) reaction with 134 Xe and 95 Mo beams, the latter to demonstrate the surrogate method in inverse kinematics. The present talk will present preliminary results from this campaign including γ-decay probabilities and prospects for surrogate (n,γ) measurements with 143 Ba fission-fragment beams.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Best practices in catalysis: A perspective

Catalysis, from its roots in petrochemical refining and conversion, has emerged as a transdisciplinary field that now encompasses synthesis of materials and molecules that enable applications in energy conversion and storage, environmental remediation, medicine, plastics, and fertilizer production, among numerous others. A handful of disciplines can claim relevance and success over such an extended period of time and continue to claim a preeminent role in defining the state-of-the-art in science and technology. Syncretic and rapid advancements in formulation and spectroscopic characterization of materials and molecules useful as catalysts, high-level density functional and molecular orbital theory calculations, and a strong foundation in concepts of physical chemistry, thermodynamics, and chemical kinetics offer new and abundant opportunities at the present day for addressing the grand challenge of controlling chemical transformations using catalysis. Here, we examine what we have learned of concepts that underpin heterogeneous catalysis but more importantly, how we learned to archive our knowledge in context of a set of best practices and standards that have emerged in the course of our learnings—ones we seek to highlight herein. Our perspective emphasizes concepts in synthesis, characterization, kinetics, and theory, because these four elements combined enable description of molecular acts that happen on surfaces and how fast they occur. In revisiting best practices in heterogeneous catalysis in these sub-fields and in authorship and peer review we aspire to augment clarity, reproducibility, and rigor in the science and practice of catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗