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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 163 records · Page 9

Integration of the Kromek D3S Detector and Spot Robot For Secondary Inspections

Inspecting vehicles and containers for the presence of nuclear material is a challenging task for border control and security. When performed manually by inspectors, this task also has an associated risk of exposing the inspectors to unknown radiation. With the advent of agile, easy-to-program, quadruped robots like the Boston Dynamics Spot, automation of secondary inspection can improve the efficiency of the inspection process and alleviates the radiation risks to inspectors. In this project, Brookhaven National Laboratory and the University of Massachussetts at Lowell explored how to automate a simple secondary inspection mission. The Spot robot comes with its own software development kit (SDK) that allows clients/users to write custom code in the Python programming language to control the robot. Spot also has a payload computer called Spot-CORE, which runs the Ubuntu Linux operating system and allows users to integrate external sensors, such as a radiation detector, with Spot. In this study, the Kromek D3S detector has been integrated with Spot via the Spot-CORE, allowing Spot to capture gamma spectra and neutron counts for a specified acquisition period. Two custom routines, search and confirmation, have been developed and executed in this specified order. The search routine directs Spot to go around the nearest obstacle, e.g., vehicle and container, in a preset distance and step to collect gamma and neutron gross counts with the D3S detector. The radiation data and the robot location corresponding to each step are stored and fed to the confirmation routine at the end of the search. The confirmation routine then navigates Spot to the locations of the highest gamma or neutron counts to perform a long, e.g., one minute, measurement, and gives the operators the signature gamma spectra and neutron counts at the hotspots. This paper presents a detailed description of this automated system along with results of the preliminary tests in identifying the location and signature of a 137Cs radiation source in a vehicle.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

A New Shutdown Dose Rate Benchmark Problem for Representative Fusion Applications

Here, this work introduces a new benchmark problem for calculating shutdown dose rates (SDDRs) aimed at fusion reactor applications. The model is designed to represent a simplified version of a typical ITER port plug. The responses of interest include neutron flux, gamma flux, and gamma SDDR at 12 different locations scattered throughout the port. This article outlines the geometry specifications of the problem, provides material definitions for the components, specifies the required responses to be calculated, and presents the source definition information. The need for this benchmark arises from the limited availability of publicly accessible references, with only one benchmark representing the typical dimensions and materials found in fusion systems. This existing benchmark has been cited extensively, reflecting the demand within the scientific community to test both established and novel workflows for SDDR calculations. However, since its presentation at a conference in 2011, the results have become increasingly well known. Moreover, the absence of formal publication and peer review has led to the details of this benchmark being extracted from secondary sources, such as subsequent studies that reference it. As a result, analysts are left with significant flexibility in interpreting the key parameters, which can be adjusted to account for unknown systematic errors, ultimately reproducing the already well-known responses. This new benchmark serves as an updated version of that earlier work, with the aim of providing a more reliable description of the materials and their impurities, which is crucial for assessing activation and subsequent gamma emission. Additionally, it seeks to provide a geometry that more closely represents an ITER port plug. The improvements in the problem definition will lead to a more reproducible benchmark problem, while also presenting the radiation transport community with a completely new challenge. The results will be published in a future article to allow analysts adequate time to analyze this problem independently.

Benchmark↗

New bounds on heavy QCD axions from big bang nucleosynthesis

We study big bang nucleosynthesis (BBN) constraints on heavy QCD axions. BBN offers a powerful probe of new physics that modifies the neutron-to-proton ratio during the process, thanks to the precisely measured primordial Helium-4 abundance. A heavy QCD axion provides an attractive target for this probe, because not only is it a well-motivated hypothetical particle by the strong 𝐶⁢𝑃 problem, but also it dominantly decays to hadrons if kinematically allowed. A range of its lifetime is thus excluded where the hadronic decays would significantly alter the neutron-to-proton ratio. We compute axion-induced modification of the neutron-to-proton ratio, and obtain robust upper bounds on the axion lifetimes, as low as 0.017 s for the axion mass higher than 300 MeV. Remarkably, this is stronger than projected future cosmic microwave background bounds via 𝑁 eff . Our bounds are largely insensitive to uncertainties in hadronic cross sections and the axion’s branching fractions into various hadrons, as well as to the precise value of the initial axion abundance. We also incorporate, for the first time, several key improvements, such as scattering processes by energetic 𝐾 𝐿 and secondary hadrons, that can also be important for studying general hadronic injections during BBN, not limited to those from axion decays.

Axions↗

Direct selective laser sintering of hexagonal barium titanate ceramics

Abstract A direct selective laser sintering (SLS) process was combined with a laser preheating procedure to decrease the temperature gradient and thermal stress, which was demonstrated as a promising approach for additive manufacturing of BaTiO 3 ceramics. The phase compositions in BaTiO 3 ceramics fabricated by SLS were investigated by X‐ray and neutron diffractions. The surface morphologies and cross‐section microstructures were characterized by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). A dense hexagonal h‐BaTiO 3 layer was formed on the surface and extended to a depth of 500 μm, with a relative density higher than 97% and absence of pores or microcracks. SLS resulted in the formation of the high‐temperature phase, h‐BaTiO 3 , which was retained at room temperature possibly due to the high cooling rate. The grain boundaries of SLSed h‐BaTiO 3 ceramics consist of a Ti‐rich secondary phase. Compared with that of the pressureless sintered t‐BaTiO 3 ceramics, the Vickers hardness of SLSed h‐BaTiO 3 is 70% higher.

Zhang, Xiang↗

Single-nucleon knockout cross sections for reactions producing resonance states at or beyond the drip line

Single-nucleon knockout cross sections from fast secondary beams of the proton-drip-line nuclei 9 C, 13 O, and 17 Ne on a 9 Be target have been studied with emphasis on the production of resonance states. These states were identified by their invariant mass, and resonances with two-, three-, and five-body exit channels were examined. The measured cross sections for these states were compared with eikonal-model predictions using shell-model or variational Monte Carlo spectroscopic factors. The experimental yields were found to be suppressed relative to the model predictions, especially when a well-bound neutron or proton is removed. This suppression exceeds that found systematically in measured inclusive cross sections to particle-bound final states. In neutron knockout from 9 C and 13 O projectiles, this suppression of the unbound ground-state residuals yield is a factor of two to three times larger than that found in the bound final-state studies. Modifications to the structure of these systems due to coupling of the shell-model configurations to the continuum is expected to contribute to this extra suppression, especially when the final state is a near-threshold resonance. Furthermore, other considerations including the role of nuclear dynamics may be required to explain all the observed trends.

6 ≤ A ≤ 19↗

Magnetic and quadrupole coupling emerging in NdB 4 with geometrically frustrated orthogonal antiferromagnetic dimer

Unusual successive order in NdB 4 with the frustrated Shastry-Sutherland lattice was investigated by means of inelastic neutron scattering. Here, we found that the pseudoquartet with |±5/2⟩ and |±7/2⟩ in the paramagnetic state splits into four levels in the magnetically ordered states. The observed spectra are in good agreement with the 𝑓-electron states obtained from the on-site Hamiltonian with the magnetic interaction ⟨𝐽 𝑥 ⟩ ⁢𝐽 𝑥 , the coupling of 𝐽 𝑥 with quadrupole 𝑂 𝑧⁢𝑥 , and the crystalline electric field potential. The 𝑓-electron states reproduce the temperature dependences of the in-plane moment 𝑚 ⊥ = ⟨𝐽 𝑥 ⟩, which is the primary order parameter, and a weakly induced 𝑚 𝑐 = ⟨𝐽 𝑧 ⟩ as the secondary order parameter. The magnetic-quadrupole coupling emerges and plays an essential role under the geometrical frustration, where the Heisenberg interactions are canceled out.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dynamic Implications of Noncovalent Interactions in Amphiphilic Single-Chain Polymer Nanoparticles

Single-chain polymer nanoparticles (SCNPs) combine the chemical diversity of synthetic polymers with the intricate structure of biopolymers, generating versatile biomimetic materials. The mobility of polymer chain segments at length scales similar to secondary structural elements in proteins is critical to SCNP structure and thus function. However, the influence of noncovalent interactions used to form SCNPs (e.g., hydrogen-bonding and biomimetic secondary-like structure) on these conformational dynamics is challenging to quantitatively assess. To isolate the effects of noncovalent interactions on SCNP structure and conformational dynamics, we synthesized a series of amphiphilic copolymers containing dimethylacrylamide and monomers capable of forming these different interactions: (1) di(phenylalanine) acrylamide that forms intramolecular β-sheet-like cross-links, (2) phenylalanine acrylamide that forms hydrogen-bonds but lacks a defined local structure, and (3) benzyl acrylamide that has the lowest propensity for hydrogen-bonding. Each SCNP formed folded structures comparable to those of intrinsically disordered proteins, as observed by size exclusion chromatography and small angle neutron scattering. The dynamics of these polymers, as characterized by a combination of dynamic light scattering and neutron spin echo spectroscopy, was well described using the Zimm with internal friction (ZIF) model, highlighting the role of each noncovalent interaction to additively restrict the internal relaxations of SCNPs. These results demonstrate the utility of local scale interactions to control SCNP polymer dynamics, guiding the design of functional biomimetic materials with refined binding sites and tunable kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Oxygen redox activities governing high-voltage charging reversibility of Ni-rich layered cathodes

A schematic illustration indicative of the improved structural reversibility through stabilizing oxidized oxygen by Al doping. The chemical reactions and phase transitions at high voltages are generally considered to determine the electrochemical properties of high-voltage layered cathodes such as Ni-rich rhombohedral oxides. Even if significantly higher SOCs (states-of-charge) are utilized above the capability of transition metal redox (primarily Ni and Co), the effect of oxygen redox on Ni-rich rhombohedral oxides still looks mysterious thereby necessitating research that can clarify the relationship between redox reactions and phase transitions. Here, we performed a comprehensive and comparative study of the cationic and anionic redox reactions, as well as the structural evolution of a series of commercial Ni-rich layered oxides with and without Al doping. We combined the results from X-ray spectroscopy, operando electrochemical mass spectrometry, and neutron diffraction with electrochemical properties and thereby revealed the different oxygen redox activities associated with structural and electrochemical degradations. We reveal that Al doping suppresses the irreversible oxygen release but enhances the lattice oxygen oxidization. With this modulated oxygen redox activity, the Ni-rich layered oxides’ notorious H2–H3 structural phase transition becomes highly reversible. Our findings disentangle the different oxygen redox activities during high-voltage cycling and clarify the role of dopants in the Ni-rich layered oxides in terms of structural and electrochemical stability, shedding light on the future direction of optimizing layered cathode materials for safer high energy-density secondary batteries.

Lee, Gi-Hyeok↗

Characterization of Radiation Effects and Ion Tracks with Spallation Neutron Probes

Swift heavy ions are typically defined as high-mass charged particles of kinetic energy above ~1 MeV per nucleon (MeV/u). In this regime, the energy deposition of the ions is dominated by electronic stopping, and each individual ion may induce a linear trail of damage with a width of a few nanometers and a length of several tens of micrometers or more. During the last decade, ion tracks and other radiation effects induced by swift heavy ions have been studied in a wide range of materials for basic research, as well as for a wide variety of applications. The interactions of swift heavy ions with matter are significantly different from those induced by lower energy ions (keV-MeV), where atoms are directly displaced from their lattice sites via elastic collisions. In contrast, swift ions (MeV-GeV) transfer their kinetic energy to the electrons of the target, inducing ionization and initiating a cascade of secondary electrons that quickly spreads radially. The extremely high energy densities (up to tens of eV/atom) along the ion path lead to a confined plasma-like state that is dissipated through electron–phonon coupling to the lattice. Further, subsequent rapid transitions through equilibrium and non-equilibrium states trigger complex structural modifications within a highly localized nanoscale damage zone, forming ion tracks in materials ion tracks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NRC Multiphysics Analysis Capability Deployment FY21: Part 3

This report details the progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Support for Advanced Non-Light Water Reactors.” The deliverables completed for this report are: Deliverable 1c: the capability to model gas mixtures was added to Pronghorn. A test problem mimicking the conditions achieved in a depressurized loss of forced cooling (DLOFC) event was solved with both RELAP-5 and Pronghorn. Pronghorn employed a finite vol ume method with the Kurganov-Tadmor discretization. The comparison between the mass fraction spatial profiles computed with RELAP-5 and Pronghorn clearly shows the presence of numerical artifacts (i.e., overly diffusive behavior at low Mach numbers). We confirmed that the problem disappears at higher Mach numbers. We recommend future work on the implementation of a low Mach finite volume formulation to better treat low Mach number problems. Deliverable 2a: we demonstrated two approaches to model the radiation/conduction/natural convection heat transfer across a stagnant gas for the PBMR-400 design using Pronghorn. The first approach is based on the net radiation method, which relies on the computation of view factors with the Multiphysics Object-Oriented Simulation Environment (MOOSE) ray tracing capability. The second method is a traditional thermal resistance approach. The test problems include both 2D and 3D geometries. In all cases, the results show very good agreement during a DLOFC transient. This confirms that the faster thermal resistance method produces solutions that are equivalent to the net radiation method for this geometry. Deliverable 3d: we demonstrated the use of the advection kernel for the delayed neutron precursor equation in Griffin with a 2D MSFR model. The results appear physical but further verification is recommended. We also recommend the addition of conjugate heat transfer to compute the temperatures and model the thermomechanic behavior of the reflectors and other structures. Significant memory and performance issues were encountered in the 3D axisymmetric model. Future work is recommended in this area. Task 8g: this task allows multidimensional MOOSE applications to be coupled to system codes (RELAP-7 and SAM). We implemented a faster multiphysics iteration coupling algorithm, which provides an overall 6× acceleration of the 3D-1D coupling of the core multidi- mensional fluid flow solver and the 1D primary and secondary loop model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The Complexity and Challenges of Irradiation-Induced Phase Instability Phenomenon in Nuclear Power Plant Components

High energy irradiation by neutrons or ions of metastable austenitic 300-series steels appears to initiate formation of bcc-phases with different morphology and elemental composition compared to that of retained ferrite. Extensive formation of specific Fe-rich ferrite was observed on the grain boundaries of annealed Russian steel 12Cr18Ni10Ti, an analog of AISI 321, after irradiation in the center-core region of sodium-cooled BN-350 fast reactor (SFR) doses up to 57 dpa at ~1×10-6dpa/sec. The ferrite fraction determined from scanning electron microscopy (SEM) closely matched the magnetic fraction determined using a ferritscope confirmed by X-ray diffraction analysis and selected area diffraction patterns. Chemical composition of the secondary phases was determined by energy dispersive X-ray analysis using transmission electron microscope, showing Fe-rich ferrite domains. Fe-ion irradiation (2.3 MeV) was used to study the accumulation of ferrite and martensite phases at higher dpa rates. The very high etchability of these ferrite particles in alcohol-based solutions may signal a very high etching in hot water, leading to accelerated intergranular cracking, especially upon long-term exposure during extended plant lifetimes.

D a, Merezhko↗

A quantitative study of retention and release of deuterium and tritium during irradiation of y-LiAlO2 pellets

This study reports on the quantification of deuterium in ion-irradiated gamma-LiAlO2 pellets as a function of dose and temperature. The gamma-LiAlO2 pellets were sequentially irradiated with He+ and D2+ ions to the same fluences of 5E16, 1E17 and 2E17 He++D+/cm2 at 188 K. Additional irradiation was performed to 1E17, 2E17 and 4E17 He++D+/cm2 at 573 K. A set of the pellets irradiated at 188 K was shipped and stored at low temperatures from 80 to 132 K and characterized using time-of-flight secondary ion mass spectrometry at ~173 K. The deuterium depth profiles show a Gaussian-like distribution in the low-temperature pellets. The total deuterium retention is found to be directly proportional to the ion fluence. About 27 at.% of the implanted deuterium atoms were released from the pellet irradiated to 2E17 He++D+/cm2 at 188 K during storage at room temperature for ~1 month. Retention of the trapped or bound deuterium during ion irradiation at 573 K increases initially with ion fluence and tends to saturate at a high fluence. The amount of the released deuterium is observed to be quantitatively consistent with that of the released tritium from similar standard pellets during neutron irradiation at 573 K.

Deuterium retention and release, ion irradiation, ↗

Investigation of Proton Beam-Driven Fusion Reactions Generated by an Ultra-Short Petawatt-Scale Laser Pulse

We present results from a pitcher-catcher experiment utilizing a proton beam generated with nanostructured targets at a petawatt-class, short-pulse laser facility to induce proton-boron fusion reactions in a secondary target. A 45-fs laser pulse with either 400 nm wavelength and 7 J energy, or 800 nm and 14 J, and an intensity of up to 5 × 10 21 W/cm 2 was used to irradiate either thin foil targets or near-solid density, nanostructured targets made of boron nitride (BN) nanotubes. In particular, for 800 nm wavelength irradiation, a BN nanotube target created a proton beam with about five times higher maximum energy and about ten times more protons than a foil target. This proton beam was used to irradiate a thick plate made of boron nitride placed in close proximity to trigger 11 B (p, α) 2α fusion reactions. A suite of diagnostics consisting of Thomson parabola ion spectrometers, postshot nuclear activation measurements, neutron time-of-flight detectors, and differentially filtered solid-state nuclear track detectors were used to measure both the primary proton spectrum and the fusion products. From the primary proton spectrum, we calculated (p, n) and (α,n) reactions in the catcher and compare with our measurements. The nuclear activation results agree quantitatively and neutron signals agree qualitatively with the calculations, giving confidence that primary particle distributions can be obtained from such measurements. These results provide new insights for measuring the ion distributions inside of proton-boron fusion targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Insight into the Catalytic Mechanism of GH11 Xylanase: Computational Analysis of Substrate Distortion Based on a Neutron Structure

The reaction mechanism of biomass decomposition by xylanases remains the subject of debate. Here, to clarify the mechanism, we investigated the glycosylation step of GH11 xylanase, an enzyme that catalyzes the hydrolysis of lignocellulosic hemicellulose (xylan). Making use of a recent neutron crystal structure, which revealed the protonation states of relevant residues, we used ab initio quantum mechanics/molecular mechanics (QM/MM) calculations to determine the detailed reaction mechanism of the glycosylation step. In particular, our focus is on the controversial question of whether or not an oxocarbenium ion intermediate is formed on the reaction pathway. The calculations support the validity of a basic retaining mechanism within a double-displacement scheme. The estimated free energy barrier of this reaction is ~18 kcal/mol with QM/MM-CCSD(T)/6-31(+)G**//MP2/6-31+G**/AMBER calculations, and the rate-determining step of the glycosylation is scission of the glycosidic bond after proton transfer from the acidic Glu177. The estimated lifetime of the oxocarbenium ion intermediate (on the order of tens of ps) and the secondary kinetic isotope effect suggest that there is no accumulation of this intermediate on the reaction path, although the intermediate can be transiently formed. In the enzyme–substrate (ES) complex, the carbohydrate structure of the xylose residue at the -1 subsite has a rather distorted (skewed) geometry, and this xylose unit at the active site has an apparent half-chair conformation when the oxocarbenium ion intermediate is formed. The major catalytic role of the protein environment is to orient residues that take part in the initial proton transfer. Because of a fine alignment of catalytic residues, the enzyme can accelerate the glycosylation reaction without paying a reorganization energy penalty.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Isotopic Evolution of the Inner Solar System Inferred from Molybdenum Isotopes in Meteorites

The fundamentally different isotopic compositions of non-carbonaceous (NC) and carbonaceous (CC) meteorites reveal the presence of two distinct reservoirs in the solar protoplanetary disk that were likely separated by Jupiter. However, the extent of material exchange between these reservoirs, and how this affected the composition of the inner disk, are not known. Here we show that NC meteorites display broadly correlated isotopic variations for Mo, Ti, Cr, and Ni, indicating the addition of isotopically distinct material to the inner disk. The added material resembles bulk CC meteorites and Ca–Al-rich inclusions in terms of its enrichment in neutron-rich isotopes, but unlike the latter materials is also enriched in s-process nuclides. The comparison of the isotopic composition of NC meteorites with the accretion ages of their parent bodies reveals that the isotopic variations within the inner disk do not reflect a continuous compositional change through the addition of CC dust, indicating an efficient separation of the NC and CC reservoirs and limited exchange of material between the inner and outer disk. Instead, the isotopic variations among NC meteorites more likely record a rapidly changing composition of the disk during infall from the Sun's parental molecular cloud, where each planetesimal locks the instant composition of the disk when it forms. Here, a corollary of this model is that late-formed planetesimals in the inner disk predominantly accreted from secondary dust that was produced by collisions among pre-existing NC planetesimals.

58 GEOSCIENCES↗

Transition between protein-like and polymer-like dynamic behavior: Internal friction in unfolded apomyoglobin depends on denaturing conditions

Equilibrium dynamics of different folding intermediates and denatured states is strongly connected to the exploration of the conformational space on the nanosecond time scale and might have implications in understanding protein folding. For the first time, the same protein system apomyoglobin has been investigated using neutron spin-echo spectroscopy in different states: native-like, partially folded (molten globule) and completely unfolded, following two different unfolding paths: using acid or guanidinium chloride (GdmCl). While the internal dynamics of the native-like state can be understood using normal mode analysis based on high resolution structural information of myoglobin, for the unfolded and even for the molten globule states, models from polymer science are employed. The Zimm model accurately describes the slowly-relaxing, expanded GdmCl-denaturated state, ignoring the individuality of the different aminoacid side chain. The dynamics of the acid unfolded and molten globule state are similar in the framework of the Zimm model with internal friction, where the chains still interact and hinder each other: the first Zimm relaxation time is as large as the internal friction time. Transient formation of secondary structure elements in the acid unfolded and presence of α-helices in the molten globule state lead to internal friction to a similar extent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Design and Development of Novel Equiatomic Refractory Multi Principal elemental Alloys Based on MoNbTi System for Use in Irradiation Environments

Multi Principal Elemental Alloys (MPEA) have emerged as promising materials for next-generation nuclear reactors due to their exceptional irradiation resistance. Eight equiatomic MPEA based on the MoNbTi system, comprising of elements with low thermal neutron absorption cross-sections were explored using a combined approach employing empirical parameter estimations, and CALPHAD simulations by which the phases and elemental segregation observed in all the alloys in the as-cast state were predicted. Solution heat treatment at 1500°C transformed five alloys into single-phase matrix materials, enhancing homogeneity and reducing hardness. The densities of the alloys ranged between 6.47 to 7.68 g/cm3, hardness between 472 and 656 VHN, Young’s modulus between 142 GPa to 169 GPa, shear modulus between 54 GPa and 62 GPa, bulk modulus between 117 GPa to 194 GPa and Poisson’s ratio between 0.3 to 0.35. The in-situ high temperature Xray diffraction results, differential scanning calorimetry and dilatometry results up to 1000°C suggested the high temperature phase stability of the MPEA. Subsequent ageing heat treatment at 800 and 1000 oC for 96 hours revealed significant secondary phase precipitation in MoNbTiZr, MoNbTiZrV, and MoNbTiCrA. Oxidation studies at 800 oC for 24 hours in air revealed superior oxidation resistance and cubic rate law dependence in Cr containing MPEA especially in MoNbTiCrAl, while severe mass gain resulting in total disintegration and exfoliation in MoNbTiZr and MoNbTiZrV. This comprehensive study underscores the potential of novel MPEA as promising materials for advanced nuclear reactor applications, shedding light on their microstructural control, mechanical properties, thermal stability, and oxidation resistance.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗