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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 1,117 records · Page 62

Equilibrium Core Model for Micro Pebble Bed Reactors Using OpenMC

Estimating the equilibrium state for pebble bed reactors (PBRs) presents complex challenges as it requires simultaneous consideration of changes in the pebbles’ movement as well as their fuel compositions. Whereas traditional approaches use multigroup diffusion codes for neutronics calculations of PBRs’ equilibrium state, the double-heterogeneity of PBRs complicates neutron cross-section generation. Continuous-energy Monte Carlo (MC) methods are better suited for detailed PBR analysis because of their natural handling of double-heterogeneity, but they demand substantially more computational resources. Here, this study introduces a novel method for efficiently estimating the equilibrium state in small and micro PBRs with reduced computational cost. The method is anticipated to accelerate the processes of core design and performing parametric studies for utilizing advanced fuel and structural materials. The HTR-10 reactor design was used for validating the method’s predictions and evaluating its computational efficiency. When compared to reference calculation values from the literature, criticality (k-effective) was predicted to be approximately within the margin of error of the MC transport calculation, average core power density (in megawatts per cubic meter) was predicted within 2.5% relative error, and maximum thermal flux (10 13 n/cm 2 .s −1 ) was predicted within 1.8% relative error. The calculated inventory of fission products and fuel composition in the equilibrium core were within 15% and 16.6%, respectively, when compared to reported values from the literature. The difference is attributed to variance in the considered values of the core temperature, which was found to significantly affect the depletion analyses.

Equilibrium core↗

Coupling of electroelastic dynamics and direct contact ultrasonic drying formulation for annular piezoelectric bimorph transducers

A newly developed technique for drying clothes without thermal energy has been developed through the utilization of ultrasonic vibrations from piezoelectric transducers. The novel technique incorporates the actuation of a thin stainless steel disk in contact with wet fabric via annular piezoelectric rings, where water in the liquid form is atomized, transported through microchannels in the disk, and ejected as a mist. In such a system, resonance matching between the actuation portion of the transducer and the portion contacting fabric must be realized, with theoretical results from the developed electromechanical model showing a reduction in energy consumption by 50% when resonance matching is achieved. The electrically coupled distributed parameter model for an annular bimorph piezoelectric transducer is developed for optimization of ultrasonic drying technology. The thickness mode vibrations are shown to dominate the behavior of the system, where the analytically developed model can be optimized to increase the output acceleration of the transducer, thus increasing drying performance. Here, the electromechanical equation developed will be connected to the drying rates of fabrics in contact with said vibrations, where the novelty of the coupled equations and its description of the physics of ultrasonic drying will be discussed.

36 MATERIALS SCIENCE↗

Analysis of RF losses and material characterization of samples removed from a Nb 3 Sn-coated superconducting RF cavity

Nb 3 Sn (T c ≈18 K and H sh ≈400 mT) is a prospective material to replace Nb (T c ≈9 K and H sh ≈200 mT) in SRF accelerator cavities for significant cost reduction and performance enhancement. Because of its material properties, Nb3Sn is best employed as a thin film (coating) inside an already built RF cavity structure. A particular test cavity noted as C3C4 was a 1.5 GHz single-cell Nb cavity, coated with Nb3Sn using Sn vapor diffusion process at Jefferson Lab. Cold measurements of the coated cavity indicated the superconducting transition temperature of about 18 K. Subsequent RF measurements indicated field-dependent surface resistance both at 4.3 K and 2.0 K. After initial cold measurements, the cavity RF loss distribution was studied with a thermometry mapping system. Loss regions were identified with thermometry and were cut out for material analysis. The presence of significantly thin patchy regions and other carbon-rich defects is associated with strong local field-dependent surface resistance. This paper summarizes RF and thermometry results correlated with material science findings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ptychographic phase retrieval by proximal algorithms

We derive a set of ptychography phase-retrieval iterative engines based on proximal algorithms originally developed in convex optimization theory, and discuss their connections with existing ones. The use of proximal operator creates a simple frame work that allows us to incorporate the effect of noise from a maximum-likelihood (ML) principle. We focus on three particular algorithms, namely proximal minimization, alternating direction method of multiplier and accelerated proximal gradient (APG). We benchmark their performance with numerical simulations, and discuss their optimal conditions for convergence and accuracy. An experimental dataset is used to demonstrate their effectiveness as well, in which case an array of cubic Au nanoparticles with a size of 50 nm is imaged. We show that with the presence of Poisson noise, a dataset with photon counts up to 10 4 at one detector pixel already requires ML-based methods to achieve a stable convergence. Among the three algorithms derived in this work, APG method is reported first time for its application in ptychographic reconstruction and shows superior performance in terms of both accuracy and convergence rate with a noisy dataset.

36 MATERIALS SCIENCE↗

A digital twin based on OpenFAST linearizations for real-time load and fatigue estimation of land-based turbines

Monitoring a wind turbine requires intensive instrumentation, which would be too cost-prohibitive to deploy to an entire wind plant. This work presents a technique that uses readily available measurements to estimate signals that would otherwise require additional instrumentation. This study presents a digital twin concept with a focus on estimating wind speed, thrust, torque, tower-top position, and loads in the tower using supervisory control and data acquisition (SCADA) measurements. The model combines a linear state-space model obtained using OpenFAST linearizations, a wind speed estimator, and a Kalman filter algorithm that integrates measurements with the state model to perform state estimations. The measurements are: top acceleration, generator torque, pitch, and rotational speed. The article extends previous work that derived the linear state-space model using a different method. The new implementation, based on OpenFAST linearization capability, allows for a systematic extension of the method to more states, inputs, outputs, and to the offshore environment. Results from the two methods are compared, and the validation is made with additional measurements using the GE 1.5-MW turbine located at the National Renewable Energy Laboratory test site. Real-time damage equivalent loads of the tower bottom moment are estimated with an average accuracy of approximately 10%. Overall, the results from this proof of concept are encouraging, and further application of the model will be considered.

17 WIND ENERGY↗

Measurement of U 238 ( n , n ' γ ) cross section data and their impact on reaction models

A better knowledge of (n,xn) reaction cross sections is important for both reaction modeling and energy applications. This article focuses on inelastic scattering of neutrons off 238 U for which improvements are needed to better constrain evaluations and solve inconsistencies in nuclear power reactor calculations. A new precise measurement of (n,xnγ) reaction cross sections on 238 U has been performed at the GELINA (Geel Electron LINear Accelerator) neutron facility operated by EC-JRC-Geel (Belgium) with the GRAPhEME (GeRmanium array for Actinides PrEcise MEasurements) setup. The prompt γ-ray spectroscopy method coupled to time-of-flight measurements is used to extract (n,xnγ) cross section values which can be further combined to infer the total neutron inelastic scattering cross section. Cross section data for 18 γ transitions (five never measured before) are presented and compared to the data in the literature. Here, emphasis is especially given to the uncertainty determination to produce partial cross section data as accurate as possible. Due to intrinsic limitations of the experimental method, the use of additional nuclear structure information coupled with theoretical modeling is required to determine the total (n, n') cross section over the whole neutron energy range. We have investigated modeling aspects of the 238 U(n,n'γ) cross sections related to the description of compound nucleus and preequilibirum mechanisms as well as the discrete part of nuclear structure. Through comparison between experimental and calculated (n,n'γ) cross sections, we pinpoint inaccuracies in the description of specific reaction mechanisms and challenge recently implemented models. This helps improving the whole modeling of the (n, n') reaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Accessing new physics with an undoped, cryogenic CsI CEvNS detector for COHERENT at the SNS

We consider the potential for a 10 kg undoped cryogenic CsI detector operating at the Spallation Neutron Source to measure coherent elastic neutrino-nucleus scattering and its sensitivity to discover new physics beyond the standard model (BSM). Through a combination of increased event rate, lower threshold, and good timing resolution, such a detector would significantly improve on past measurements. We considered tests of several BSM scenarios such as neutrino nonstandard interactions and accelerator-produced dark matter. This detector’s performance was also studied for relevant questions in nuclear physics and neutrino astronomy, namely the weak charge distribution of Cs and I nuclei and detection of neutrinos from a core-collapse supernova. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

ECP ST Capability Assessment Report (CAR) for VTK-m (FY20)

The ECP/VTK-m project is providing the core capabilities to perform scientific visualization on Exascale architectures. The ECP/VTK-m project fills the critical feature gap of performing visualization and analysis on processors like graphics-based processors. The results of this project will be delivered in tools like ParaView, Vislt, and Ascent as well as in stand-alone form. Moreover, these projects are depending on this ECP effort to be able to make effective use of ECP architectures. One of the biggest recent changes in high-performance computing is the increasing use of accelerators. Accelerators contain processing cores that independently are inferior to a core in a typical CPU, but these cores are replicated and grouped such that their aggregate execution provides a very high computation rate at a much lower power. Current and future CPU processors also require much more explicit parallelism. Each successive version of the hardware packs more cores into each processor, and technologies like hyper threading and vector operations require even more parallel processing to leverage each core's full potential. VTK-m is a toolkit of scientific visualization algorithms for emerging processor architectures. VTK-m supports the fine-grained concurrency for data analysis and visualization algorithms required to drive extreme scale computing by providing abstract models for data and execution that can be applied to a variety of algorithms across many different processor architectures. The ECP/VTK-m project is building up the VTK-m codebase with the necessary visualization algorithm implementations that run across the varied hardware platforms to be leveraged at the Exascale. We will be working with other ECP projects, such as ALPINE, to integrate the new VTK-m code into production software to enable visualization on our HPC systems.

97 MATHEMATICS AND COMPUTING↗

Physics Basis, Optimization, and Control for Integrated 3D Edge Long-pulse Tokamak Scenarios

The aim of this project with international collaborations (PI: J.-K. Park of Princeton Plasma Physics Laboratory) is to develop a unified physics basis and predictive capability for the control of edge-localized modes (ELMs) with optimized non-axisymmetric (3D) fields, by leveraging the unique research capabilities of international KSTAR tokamak in Korea. At the University of California, Irvine, we use a fusion simulation code GTC to study the effects of the 3D magnetic fields (including both magnetic islands and stochastic magnetic field lines) on microturbulence. We focus on the effects of 3D equilibrium on turbulent and neoclassical transport that leads to ELM suppression. During the project period, the UCI team of this collaboration has made significant progress in understanding turbulent transport in 3D geometry including both tokamaks with RMP and stellarators. Four UCI postdoctoral researchers, Drs. Javier Nicolau, Gyungjin Choi, Pengfei Liu, and Xishuo Wei were partially supported by this project and collaborating with the entire project team. We have published 4 journal papers and gave several invited talks. This project advance physics understand of 3D effects on microturbulence, specially effects of magnetic islands. It will contribute to the DOE SciDAC ISEP project in the area of GTC development for general 3D geometry capability, rigorous verification and validation, and readiness for the emerging exascale computing. Through collaborations with computational scientists, the project helps to advance high performance computing in the area of GPU acceleration, linear solver, and data management.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Physics Design of Proton/Ion SRF Accelerators

Superconducting Radio Frequency (SRF) technology has become foundation of the modern high energy particle accelerators. The technology enables a higher accelerating field with minimal power dissipation and a stronger compact magnetic field. These advancements have broadened the operational horizon of the particle accelerators making a higher duty factor and Continuous Wave (CW) beam operations both feasible and economically viable. The intensity frontier research founded on generation of intense beam of exotic particles including but not limited to neutrinos, muons, kaons and neutrons as well as practical applications involving transmutation of nuclear reactor waste, rare isotopes generation, sub-critical nuclear power generation etc. could be accomplished efficiently only by using superconducting proton/ions particle accelerators. As a result, many newly constructed or under construction high energy accelerator facilities around the world such as Proton Improvement Plan-II (PIP-II) at Fermilab, FRIB at MSU, ESS at Sweden are utilizing SRF accelerators. This talk presents the design philosophy of SRF proton/ion particle accelerator, with a focus on optimizing its performance while addressing physics and operational challenges including the fault scenarios, machine availability and preservation of crucial beam parameters.

Saini, Arun↗

BeyondFingerprinting: AI-guided discovery of robust materials & processes

BeyondFingerprinting was a 2021-2024 Sandia Grand Challenge LDRD exploring the potential to develop new resilient materials and manufacturing processes by taking an artificial-intelligence (AI)-guided approach that integrates human-subject-matter expertise with algorithms enriched with physics-based constraints to unearth process-structure-property correlations. Such algorithms, trained on high-throughput experiments and simulations, are shown to serve as surrogate models that efficiently detect key “fingerprints” in materials data, prognose material performance, and guide effective process improvements. To accelerate broader adoption across mission areas, this AI-guided approach was demonstrated with three complex process-centric exemplars: electroplating, physical vapor deposition, and laser powder bed fusion. Together, these exemplars impact nearly every hardware component relevant to DOE and NNSA national security missions.

36 MATERIALS SCIENCE↗

In-Silico Design of Next Generation Cellulose-Derived Packaging Materials (CRADA Final Report)

Developing sustainable solutions for single-use packaging is an important objective to combat the environmental crisis of plastics pollution. Most embodiments of cellulose-based packaging materials, including CellophaneTM, are completely biodegradable in both terrestrial and marine environments. However, petroleum-derived alternatives offer some performance advantages for metrics such as moisture barriers and mechanical properties. This project leverages molecular dynamics simulation to investigate how molecular modifications to cellulose-based polymer assemblies impact their material properties. An important performance criterion for the modified materials was to retain biodegradability; thus, modifications by naturally occurring, biodegradable additives were the focus of this study. Specifically, we developed models with xylan and lignin of varying monomeric compositions into the cellulose matrix. The mechanical properties were investigated by performing stress-strain simulations, and the water barrier and hydrophobicity were investigated by simulating the water contact angle. Our findings indicate that the incorporation of xylan into the cellulose matrix tends to increase the mechanical properties with an optimal loading of ~27 wt%. We also predict that orienting the nanoscale directionality of the xylan chains such that they are perpendicular to the cellulose fibrils will dramatically increase mechanical strength. In contrast, the incorporation of lignin tends to weaken the composite at all loadings investigated. Simulations of water contact angle predicted that coating polymers on the surface of the cellulose assembly creates a more hydrophobic surface than incorporating them throughout the matrix. Of the coatings investigated, lignin resulted in the most hydrophobic surface, followed by pectin and keratin, which both imparted modest increases in hydrophobicity. Future experimental work done by Futamura will focus on designing material prototypes to capitalize on the predictions of performance enhancement obtained from molecular modeling. While substantial progress was made by the simulations performed in this project, there still exists a vast parameter space that we were unable to investigate, including branching, functional group decoration, and degree of polymerization of polymer additives. However, the methods developed in this initial investigation will facilitate more rapid evaluation of the impact of molecular characteristics on the performance of biopolymer composite materials and thereby accelerate future materials discovery efforts in this area.

36 MATERIALS SCIENCE↗

QCD tree amplitudes on modern GPUs: A case study for novel event generators

For more than a decade the current generation of CPU-based matrix element generators has provided hard scattering events with excellent flexibility and good efficiency.However, they are a bottleneck of current Monte Carlo event generator toolchains, and with the advent of the HL-LHC and more demanding precision requirements, faster matrix elements are needed, especially at intermediate to large jet multiplicities.We present first results of the new BlockGen family of matrix element algorithms, featuring GPU support and novel color treatments, and discuss the best choice to deliver the performance needed for the next generation of accelerated matrix element generators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Low Temperature Water-Gas Shift: Enhancing Stability through Optimizing Rb Loading on Pt/ZrO 2

Recent studies have shown that appropriate levels of alkali promotion can significantly improve the rate of low-temperature water gas shift (LT-WGS) on a range of catalysts. At sufficient loadings, the alkali metal can weaken the formate C–H bond and promote formate dehydrogenation, which is the proposed rate determining step in the formate associative mechanism. In a continuation of these studies, the effect of Rb promotion on Pt/ZrO 2 is examined herein. Pt/ZrO 2 catalysts were prepared with several different Rb loadings and characterized using temperature programmed reduction mass spectrometry (TPR-MS), temperature programmed desorption (TPD), diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), an X-ray absorption near edge spectroscopy (XANES) difference procedure, extended X-ray absorption fine structure spectroscopy (EXAFS) fitting, TPR-EXAFS/XANES, and reactor testing. At loadings of 2.79% Rb or higher, a significant shift was seen in the formate ν(CH) band. The results showed that a Rb loading of 4.65%, significantly improves the rate of formate decomposition in the presence of steam via weakening the formate C–H bond. However, excessive rubidium loading led to the increase in stability of a second intermediate, carbonate and inhibited hydrogen transfer reactions on Pt through surface blocking and accelerated agglomeration during catalyst activation. Optimal catalytic performance was achieved with loadings in the range of 0.55–0.93% Rb, where the catalyst maintained high activity and exhibited higher stability in comparison with the unpromoted catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Importance of ice nucleation and precipitation on climate with the Parameterization of Unified Microphysics Across Scales version 1 (PUMASv1)

Cloud microphysics is critical for weather and climate prediction. In this work, we document updates and corrections to the cloud microphysical scheme used in the Community Earth System Model (CESM) and other models. These updates include a new nomenclature for the scheme, now called Parameterization of Unified Microphysics Across Scales (PUMAS), and the ability to run the scheme on graphics processing units (GPUs). The main science changes include refactoring an ice number limiter and associated changes to ice nucleation, adding vapor deposition onto snow, and introducing an implicit numerical treatment for sedimentation. We also detail the improvements in computational performance that can be achieved with GPU acceleration. We then show the impact of these scheme changes on the (a) mean state climate, (b) cloud feedback response to warming, and (c) aerosol forcing. We find that corrections are needed to the immersion freezing parameterization and that ice nucleation has important impacts on climate. We also find that the revised scheme produces less cloud liquid and ice but that this can be adjusted by changing the loss process for cloud liquid (autoconversion). Furthermore, there are few discernible effects of the PUMAS changes on cloud feedbacks but some reductions in the magnitude of aerosol–cloud interactions (ACIs). Small cloud feedback changes appear to be related to the implicit sedimentation scheme, with a number of factors affecting ACIs.

54 ENVIRONMENTAL SCIENCES↗

Response of mouse epidermal cells to single doses of heavy-particles

The survival of mouse epidermal cells to heavy-particles has been studied In Vivo by the Withers clone technique. Experiments with accelerated helium, lithium and carbon ions were performed. The survival curve for the helium ion irradiations used a modified Bragg curve method with a maximum tissue penetration of 465 microns, and indicated that the dose needed to reduce the original cell number to 1 surviving cell/square centimeters was 1525 rads with a D sub o of 95 rads. The LET at the basal cell layer was 28.6 keV per micron. Preliminary experiments with lithium and carbon used treatment doses of 1250 rads with LET's at the surface of the skin of 56 and 193 keV per micron respectively. Penetration depths in skin were 350 and 530 microns for the carbon and lithium ions whose Bragg curves were unmodified. Results indicate a maximum RBE for skin of about 2 using the skin cloning technique. An attempt has been made to relate the epidermal cell survival curve to mortality of the whole animal for helium ions.

Leith, J. T.↗

Remote control circuit breaker evaluation testing

Engineering evaluation tests were performed on several models/types of remote control circuit breakers marketed in an attempt to gain some insight into their potential suitability for use on the space shuttle vehicle. Tests included the measurement of several electrical and operational performance parameters under laboratory ambient, space simulation, acceleration and vibration environmental conditions.

Bemko, L. M.↗