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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 973 records · Page 54

SU-F-T-201: Acceleration of Dose Optimization Process Using Dual-Loop Optimization Technique for Spot Scanning Proton Therapy

Purpose: The purpose was to demonstrate a developed acceleration technique of dose optimization and to investigate its applicability to the optimization process in a treatment planning system (TPS) for proton therapy. Methods: In the developed technique, the dose matrix is divided into two parts, main and halo, based on beam sizes. The boundary of the two parts is varied depending on the beam energy and water equivalent depth by utilizing the beam size as a singular threshold parameter. The optimization is executed with two levels of iterations. In the inner loop, doses from the main part are updated, whereas doses from the halo part remain constant. In the outer loop, the doses from the halo part are recalculated. We implemented this technique to the optimization process in the TPS and investigated the dependence on the target volume of the speedup effect and applicability to the worst-case optimization (WCO) in benchmarks. Results: We created irradiation plans for various cubic targets and measured the optimization time varying the target volume. The speedup effect was improved as the target volume increased, and the calculation speed increased by a factor of six for a 1000 cm3 target. An IMPT plan for the RTOG benchmark phantom was created in consideration of ±3.5% range uncertainties using the WCO. Beams were irradiated at 0, 45, and 315 degrees. The target’s prescribed dose and OAR’s Dmax were set to 3 Gy and 1.5 Gy, respectively. Using the developed technique, the calculation speed increased by a factor of 1.5. Meanwhile, no significant difference in the calculated DVHs was found before and after incorporating the technique into the WCO. Conclusion: The developed technique could be adapted to the TPS’s optimization. The technique was effective particularly for large target cases.

60 APPLIED LIFE SCIENCES↗

MapsTorch : automatic differentiation for X-ray fluorescence data analysis

X-ray fluorescence (XRF) is a popular spectroscopy technique for elemental analysis. Spectrum fitting and parameter tuning are at the core of XRF analysis and are conventionally manually intensive, especially for synchrotron experiments involving large amounts of diverse samples. This work introduces the automatic differentiation (AD) technique to XRF and an open-source package called MapsTorch. By transforming an analytical model of the XRF spectrum into a differentiable computation graph with AD, MapsTorch enables robust optimization of parameters and elemental intensities. We evaluate MapsTorch by conducting computational experiments on a large number of historical synchrotron XRF datasets and compare its performance with the currently practiced fitting tool NLopt. The results show that MapsTorch consistently achieves high-quality fits and often leads to better fitting quality than NLopt, particularly in tasks such as initial spectrum fitting and elemental intensity refinement. The robust performance of MapsTorch paves the way for developing automated and high-throughput XRF data analysis workflows to handle the increasing data volumes expected from next-generation synchrotron facilities.

X-ray fluorescence↗

SU-E-T-182: Feasibility of Dose Painting by Numbers in Proton Therapy with Contour-Driven Plan Optimization

Purpose: The work aims to 1) prove the feasibility of dose painting by numbers (DPBN) in proton therapy with usual contour-driven plan optimization and 2) compare the achieved plan quality to that of rotational IMRT. Methods: For two patients with head and neck cancers, voxel-by-voxel prescription to the target volume (PTV-PET) was calculated from {sup 18} FDG-PET images and converted to contour-based prescription by defining several sub-contours. Treatments were planned with RayStation (RaySearch Laboratories, Sweden) and proton pencil beam scanning modality. In order to determine the optimal plan parameters to approach the DPBN prescription, the effect of the number of fields, number of sub-contours and use of range shifter were tested separately on each patient. The number of sub-contours were increased from 3 to 11 while the number of fields were set to 3, 5, 7 and 9. Treatment plans were also optimized on two rotational IMRT systems (TomoTherapy and Varian RapidArc) using previously published guidelines. Results: For both patients, more than 99% of the PTV-PET received at least 95% of the prescribed dose while less than 1% of the PTV-PET received more than 105%, which demonstrates the feasibility of the treatment. Neither the use of a range shifter nor the increase of the number of fields had a significant influence on PTV coverage. Plan quality increased when increasing number of fields up to 7 or 9 and slightly decreased for a bigger number of sub-contours. Good OAR sparing is achieved while keeping high plan quality. Finally, proton therapy achieved significantly better plan quality than rotational IMRT. Conclusion: Voxel-by-voxel prescriptions can be approximated accurately in proton therapy using a contour-driven optimization. Target coverage is nearly insensitive to the number of fields and the use of a range shifter. Finally, plan quality assessment confirmed the superiority of proton therapy compared to rotational IMRT.

60 APPLIED LIFE SCIENCES↗

Validating automated resonance evaluation with synthetic data

The integrity and precision of nuclear data are crucial for a broad spectrum of applications, from national security and nuclear reactor design to medical diagnostics, where the associated uncertainties can significantly impact outcomes. A substantial portion of uncertainty in nuclear data originates from the subjective biases in the evaluation process, a crucial phase in the nuclear data production pipeline. Recent advancements indicate that automation of certain routines can mitigate these biases, thereby standardizing the evaluation process and enhancing reproducibility. This research aims to provide a methodology, framework, and metrics for the validation of automated nuclear data evaluation software leveraging high-quality synthetic data that closely mimic real experimental observables. An introduced error metric provides a scale and intuitive measure of the evaluation quality by quantifying the estimate’s accuracy and performance across the specified energy range. Synthetic data provides access to experimental observables and underlying resonance parameters, enabling comparison of different evaluations. The methodology is demonstrated using Ta-181 isotope data in the resolved resonance region. The Automated Resonance Identification Subroutine (ARIS), which operates without prior resonance information, was used to test and showcase the framework’s capabilities utilizing the proposed error metrics. The results demonstrate the effectiveness of the proposed approach and framework for optimizing software parameters and testing hypotheses through “what-if” controlled experiments, such as modifying assumptions about experimental conditions or average resonance parameters.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An Intelligent System for Automatic Selection of DC-DC Converter Topology with Optimal Design

In this paper, we present an intelligent system that has the capabilities of automatically selecting topology classes and optimizing circuit parameters of DC-DC power converters for a given design specification. The system, Machine-Learning-enhanced Automated Circuit Configuration and Evaluation of Power Converters (ML-ACCEPT), uses a hybrid of machine learning technologies, decision tree inference, reinforcement learning and deep neural networks. The system gives high accurate recommendations of design topology classes and computationally efficient results in optimizing power efficiencies in power converter design.

Xue, Lincoln↗

Ultrasonic nondestructive diagnosis of lithium-ion batteries with multiple frequencies

Accurately estimating the state of charge (SoC) in battery management systems (BMSs) requires the measurement of numerous parameters and advanced algorithms. This work studies multifrequency ultrasonic waves to estimate the SoC of Li-ion batteries by sensing the material changes during charge/discharge. A pouch-type LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) graphite battery cell is designed and fabricated with a capacity of 2.4 Ah. Different ultrasonic testing setups are explored to determine the optimal testing parameters for the battery. An ultrasonic monitoring system is developed to monitor the battery during charge/discharge at 750 kHz, 1 MHz, and 1.5 MHz. Signal processing algorithms are proposed for extracting three ultrasonic features—amplitude, wave velocity, and attenuation. In a three-cycle test, the amplitude histories do not show clear correlations with the SoC. The wave velocities of all three frequencies have an approximately linear relationship with the SoC, which can be used for SoC estimation. Hysteresis behavior is observed for the wave velocity in terms of a larger slope in the discharge process and velocity drop after a close charge/discharge cycle. The wave attenuation is able to capture the material phase transitions during charge/discharge.

25 ENERGY STORAGE↗

Collaborative Research: Enhancing Laser-Based Ion Sources with High Data Rate Techniques

This collaborative research project focuses on leveraging advanced machine learning techniques to analyze and optimize data from high-repetition-rate laser experiments. The main goal is to apply modern computing hardware, customized data acquisition firmware/software, and machine learning approaches to improve data analysis and experimental control. The project also explores how methodology can be developed on smaller-scale experimental setups and then translated to larger facilities within DOE's LaserNetUS network. With extensive data collection and modeling, the research aims to predict and optimize experimental parameters to enhance performance and efficiency.

47 OTHER INSTRUMENTATION↗

Optimization of solid state anaerobic digestion of the OFMSW by digestate recirculation: A new approach

Highlights: • Solid State Anaerobic Digestion (SSAD) of OFMSW can be optimized by irrigation with digestate. • Digestate spreading allows keeping optimal process parameters and high hydrolysis rate. • The 18.4% of CH{sub 4} was produced in the reactor, leaving the 49.7% in the percolate. • Successive CSTR feed with percolate shows a biogas enriched in methane (more than 80%). • The proposed process allow producing the 68% of OFMSW potential CH{sub 4}, getting high quality organic amendment. - Abstract: Dry anaerobic digestion (AD) of OFMSW was optimized in order to produce biogas avoiding the use of solid inoculum. Doing so the dry AD was performed irrigating the solid waste with liquid digestate (flow rate of 1:1.18–1:0.9 w/w waste/digestate; 21 d of hydraulic retention time – HRT) in order to remove fermentation products inhibiting AD process. Results indicated that a high hydrolysis rate of organic matter (OM) and partial biogas production were obtained directly during the dry AD. Hydrolysate OM was removed from digester by the percolate flow and it was subsequently used to feed a liquid anaerobic digester. During dry AD a total loss of 36.9% of total solids was recorded. Methane balance indicated that 18.4% of potential methane can be produced during dry AD and 49.7% by the percolate. Nevertheless results obtained for liquid AD digestion indicated that only 20.4% and 25.7% of potential producible methane was generated by adopting 15 and 20 days of HRT, probably due to the AD inhibition due to high presence of toxic ammonia forms in the liquid medium.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

High thermal stability and excellent dielectric properties of a novel X8R-type CdCu3Ti4O12 ceramics through a sol-gel technique

Highlights: • CdCu{sub 3}Ti{sub 4}O{sub 12} (CdCTO) ceramics were successfully synthesized via the sol-gel method, and the optimized processing parameters were obtained. • The outstanding dielectric properties: ε{sub r} ≈ 1.63 × 10{sup 4} and tan δ = 0.035 (at 10 kHz) could be obtained in CdCTO ceramics sintered at 1000 °C. • The CdCTO-SG ceramics obtained an excellent thermal stability. - Abstract: CdCu{sub 3}Ti{sub 4}O{sub 12} (CdCTO) ceramics were systematically synthesized via the sol-gel technique. The optimal CH{sub 3}COOH and Ti(OC{sub 4}H{sub 9}){sub 4} concentrations in the synthesis solution and processing temperature were found to be 5.0 vol%, 0.50 mol/L and 60 °C, respectively. These materials exhibited high densities and fine-grained microstructures along with outstanding dielectric properties, including an ε{sub r} of approximately 1.63 × 10{sup 4} and a tan δ of 0.035 at 10 kHz. Over the temperature range from −55 to 150 °C, the temperature coefficients of the dielectric constant at 1 and 10 kHz were −13.9% to 1.20% and −9.10% to 3.92%, respectively, indicating that these ceramics possess excellent thermal stability. These properties also meet the requirements for X8R applications. Data acquired from complex impedance spectroscopy and electrical modulus assessments demonstrates that the superior dielectric properties of these CdCTO ceramics can be attributed to the internal barrier layer capacitor theory (IBLC).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Exploration of Optimization Options for Increasing Performance of a GPU Implementation of a Three-dimensional Bilateral Filter

This report explores using GPUs as a platform for performing high performance medical image data processing, specifically smoothing using a 3D bilateral filter, which performs anisotropic, edge-preserving smoothing. The algorithm consists of a running a specialized 3D convolution kernel over a source volume to produce an output volume. Overall, our objective is to understand what algorithmic design choices and configuration options lead to optimal performance of this algorithm on the GPU. We explore the performance impact of using different memory access patterns, of using different types of device/on-chip memories, of using strictly aligned and unaligned memory, and of varying the size/shape of thread blocks. Our results reveal optimal configuration parameters for our algorithm when executed sample 3D medical data set, and show performance gains ranging from 30x to over 200x as compared to a single-threaded CPU implementation.

97 MATHEMATICS AND COMPUTING↗

A New Subfamily of Glycoside Hydrolase Family 30 with Strict Xylobiohydrolase Function

The Acetivibrioclariflavus (basonym: Clostridium clariflavum) glycoside hydrolase family 30 cellulosomal protein encoded by the Clocl_1795 gene was highly represented during growth on cellulosic substrates. In this report, the recombinantly expressed protein has been characterized and shown to be a non-reducing terminal (NRT)-specific xylobiohydrolase (AcXbh30A). Biochemical function, optimal biophysical parameters, and phylogeny were investigated. The findings indicate that AcXbh30A strictly cleaves xylobiose from the NRT up until an α-1,2-linked glucuronic acid (GA)-decorated xylose if the number of xyloses is even or otherwise a single xylose will remain resulting in a penultimate GA-substituted xylose. Unlike recently reported xylobiohydrolases, AcXbh30A has no other detectable hydrolysis products under our optimized reaction conditions. Sequence analysis indicates that AcXbh30A represents a new GH30 subfamily. This new xylobiohydrolase may be useful for commercial production of industrial quantities of xylobiose.

59 BASIC BIOLOGICAL SCIENCES↗

Large eddy simulation of wind farm performance in horizontally and vertically staggered layouts

This numerical investigation employs Large Eddy Simulation (LES) coupled with Actuator Disk Model (ADM) to evaluate wind farm layout optimization strategies. The study presents a systematic analysis of aligned, horizontal staggering, vertical staggering, and mixed (combination of horizontal and vertical) staggering configurations, aiming to establish optimal design parameters for enhanced power production. The investigation examines key performance metrics including mean velocity distributions, turbulence intensity characteristics, and power generation efficiency. Results demonstrate better performance of both horizontal and vertical staggering patterns compared to conventional aligned configurations, with horizontal staggering exhibiting notably higher power output than vertical arrangements. Our findings also suggest that mixed configurations, incorporating both horizontal and vertical staggering, can offer optimal performance characteristics. As a result, this research advances the understanding of wake interactions in complex wind farm layouts and provides design guidelines for maximizing wind farm power generation efficiency through strategic turbine positioning.

17 WIND ENERGY↗

Molecular beam epitaxial growth and characterization of InSb{sub 1-x}N{sub x} on GaAs for long wavelength infrared applications

Recent research progress and findings in InSbN have attracted great attention due to its use in long wavelength infrared applications. A large bandgap reduction in InSb resulting from high N incorporation with minimal crystal defects is challenging due to relatively small atomic size of N. Hence optimization of growth conditions plays an important role in the growth of high-quality InSbN epilayers for device purposes. In this paper, we report on the correlation of structural, vibrational, electrical, and optical properties of molecular beam epitaxially grown InSbN epilayers grown on GaAs substrates, as a function of varying growth temperatures. Two dimensional growths of InSb and InSbN were confirmed from dynamic reflection high energy electron diffraction patterns and growth parameters were optimized. High crystalline quality of the epilayers is attested to by a low full width at half maximum of 200 arcsec from high resolution x-ray diffraction (HRXRD) scans and by the high intensity and well-resolved InSb longitudinal optical (LO) and 2{sup nd} order InSb LO mode observed from micro-Raman spectroscopy. The N incorporation in these InSbN epilayers is estimated to be 1.4% based on HRXRD simulation. X-ray photoelectron spectroscopy (XPS) studies reveal that most of the N present in the layers are in the form of In-N bonding. Variation of the lattice disorder with growth temperature is correlated with the types of N bonding present, the carrier concentration and mobility, observed in the corresponding XPS spectra and Hall measurements, respectively. XPS analysis, HRXRD scans, and Raman spectral analysis indicate that lower growth temperature favors In-N bonding which dictates N incorporation in the substitutional sites and lattice disorder, whereas, high growth temperature promotes the formation of In-N-Sb bonding. The best room temperature and 77 K electrical transport parameters and maximum redshift in the absorption edge have been achieved in the InSbN epilayer grown in the 290 deg. C {approx} 330 deg. C temperature range.

36 MATERIALS SCIENCE↗

Critical Evaluation and Thermodynamic Optimization of the Li{sub 2}O-Al{sub 2}O{sub 3} and Li{sub 2}O-MgO-Al{sub 2}O{sub 3} Systems

The thermodynamic and phase diagram data of the Li{sub 2}O-Al{sub 2}O{sub 3} and Li{sub 2}O-MgO-Al{sub 2}O{sub 3} systems were critically evaluated and optimized to obtain a set of consistent Gibbs energy functions for all phases in the systems. The LiAl{sub 5}O{sub 8}-MgAl{sub 2}O{sub 4} spinel solid solution was modeled with the two-sublattice compound energy formalism by considering the cation distribution between the tetrahedral and octahedral sites and excess vacancy in octahedral sites. The liquid phase and monoxide solid solution were also described using the modified quasichemical model with pair approximation and the Bragg–Williams random mixing model, respectively. The thermodynamic models with optimized model parameters enable the reproduction of all reliable thermodynamic and phase diagram as well as spinel structural data in the system.

36 MATERIALS SCIENCE↗

A high fidelity and user-friendly equation-oriented optimization model for carbon capture using a novel water-lean solvent

Research Triangle Institute (RTI) International and SLB have developed a novel water-lean solvent technology for carbon capture, demonstrating low specific reboiler duty (SRD) values at capture rates exceeding 90%. At the Technology Centre Mongstad (TCM) pilot plant, the technology achieved an SRD of 2.55 GJ/t-CO2 at 95% capture, utilizing an intercooler and a 5°C temperature approach in the lean/rich solvent cross exchanger. To meet varying carbon capture targets for Front End Engineering and Design (FEED) studies and to enable real-time optimization and advanced process control, an efficient optimization model is required. This model needs to minimize energy demand for a given capture rate and determine optimal operating parameters in response to fluctuating flue gas conditions. While an existing Aspen Plus simulation model, developed by RTI and SLB, accurately matches TCM plant data, its sequential modular (SM) strategy is too slow for real-time applications due to recycle streams and tight heat integration inherent in solvent-based carbon capture processes. Although an equation-oriented (EO) modeling strategy is more suitable for optimizing these processes, its adoption has been limited by several factors: feature limitations in Aspen Plus EO mode (e.g., lack of balance block support), a less user-friendly interface for variable identification and loop solving, complex troubleshooting of convergence issues, and the necessity for accurate initial values.

carbon capture↗

Aero‐servo‐elastic co‐optimization of large wind turbine blades with distributed aerodynamic control devices

Abstract This work introduces automated wind turbine optimization techniques based on full aero‐servo‐elastic models and investigates the potential of trailing edge flaps to reduce the levelized cost of energy (LCOE) of wind turbines. The Wind Energy with Integrated Servo‐control (WEIS) framework is improved to conduct the presented research. Novel methods for the generic implementation and tuning of trailing edge flap devices and their controller are also introduced. Primary flap and controller parameters are optimized to demonstrate potential maximum blade tip deflection reductions of 21 % . Concurrent design optimization (i.e., co‐design) of a novel segmented wind turbine blade with trailing edge flaps and its controller is then conducted to demonstrate blade cost savings of 5 % . Additionally, rotor diameter co‐design optimization is demonstrated to reduce the LCOE by 1.3 % without significant load increases to the tower. These results demonstrate the efficacy of control co‐design optimization using trailing edge flaps, and the entirety of this work provides a foundation for numerous control co‐design‐oriented studies for distributed aerodynamic control devices.

17 WIND ENERGY↗

FITTING THE UNION2.1 SUPERNOVA SAMPLE WITH THE R{sub h} = ct UNIVERSE

The analysis of Type Ia supernova data over the past decade has been a notable success story in cosmology. These standard candles offer us an unparalleled opportunity to study the cosmological expansion out to a redshift of {approx}1.5. The consensus today appears to be that {Lambda}CDM offers the best explanation for the luminosity-distance relationship seen in these events. However, a significant incompatibility is now emerging between the standard model and other equally important observations, such as those of the cosmic microwave background. {Lambda}CDM does not provide an accurate representation of the cosmological expansion at high redshifts (z >> 2). It is therefore essential to re-analyze the Type Ia supernova data in light of the cosmology (the R{sub h} = ct universe) that best represents the universe's dynamical evolution at early times. In this paper, we directly compare the distance relationship in {Lambda}CDM with that predicted by R{sub h} = ct, and each with the Union2.1 sample, and show that the two theories produce virtually indistinguishable profiles, though the fit with R{sub h} = ct has not yet been optimized. This is because the data cannot be determined independently of the assumed cosmology-the supernova luminosities must be evaluated by optimizing four parameters simultaneously with those in the adopted model. This renders the data compliant to the underlying theory, so the model-dependent data reduction should not be ignored in any comparative analysis between competing cosmologies. In this paper, we use R{sub h} = ct to fit the data reduced with {Lambda}CDM, and though quite promising, the match is not perfect. An even better fit would result with an optimization of the data using R{sub h} = ct from the beginning.

79 ASTRONOMY AND ASTROPHYSICS↗

Revisions of ORNL 188 W Process Based on Nonradiological Experiments

Tungsten-188 is in widespread use in the 188 W(t 1/2 = 69 d)/ 188 Re(t 1/2 =16.9 h) biomedical generator. Oak Ridge National Laboratory (ORNL) has been providing this product to the world since 1999. At ORNL, 188 W is produced via irradiation in ORNL’s High Flux Isotope Reactor (HFIR). Enriched 186 W targets in the form of sintered metallic pellets or rings achieve a compact loading in the irradiation vessel, providing a high yield per unit target. The enrichment of the target is >90% 186 W and this isotope undergoes double neutron capture to produce the desired 188W product. While 188 W is produced by neutron bombardment, 191 Os(t 1/2 = 15.4 d) is simultaneously produced as a byproduct requiring separation from 188 W by post irradiation treatment. In the current processing pathway, the irradiated W metal pellets or rings are first converted into an oxide form of WO 3 by heating the irradiated W metal target at 750°C in a quartz reaction vessel inside a vertical furnace under a constant flow of air. During heating, W metal reacts with oxygen in the air to produce WO 3 , which is soluble in 6 M NaOH for later purification process. This oxidation process also converts 188 Os (the decay daughter of 188 W) and 191 Os (the irradiation produced byproduct) into OsO 4 , a highly volatile and toxic gas. The gaseous effluents driven from the quartz reaction vessel are passed through a scrubbing array to remove OsO 4 before the air is discharged from the process. This heterogeneous oxidation method simultaneously achieves two goals: 1). converting metal target to a soluble oxide form and 2). separating volatile OsO 4 away from the solid WO 3 product, although harmful 191 OsO 4 is unfavorable but being taken care of by the down road scrubbing array. In the past twenty years the existing OsO 4 scrubbing array served well in preventing OsO 4 from being released into the environment, until July of 2020 when a minor amount of 191 Os was found to have been released into the environment which resulted in a standby of building 4501 from July 2020 to February 2021.Since October 20 of 2020 a team of researchers from groups of RSTD and NEFD were organized to work for the following tasks: (1) Fully understand the root causes of the July incident of 191 Os release and create a redesigned 191 Os scrubbing array to eliminate the possibility of 191 Os release in future 188 W processes; (2) In Phase-1 tests, select a correct air (O 2 ) flow rate in 188 W process, that provides sufficient oxygen for the oxidation of tungsten metal, while still allowing sufficient resonance time for 191 Os removal by the scrubbers; (3) In Phase-2 tests, confirm the efficiency of the redesigned scrubbing array to absorb excessive amount of non-rad OsO 4 (generated from Os metal powder) at the selected air flow; (4) In Phase-3 tests, simulate the hot cell 188 W process by heating pressed non-rad W-Os pellets in a quartz vessel of new design and the new array under operation parameters selected in Phase-1 and -2; (5) Complete a new operation procedure for 188 W process in hot cell and a TM report as a summary of the Os Mitigation Project. This TM report summarizes the investigation on root causes from technical aspects in July 191 Os release and the correspondent improvement towards the redesigned 191 Os scrubbing system. The report presents the efforts made on selection of optimal operational parameter with the new scrubbing array and the quartz vessel of new design, based on experiment data obtained in Phase-1, -2 and -3 tests. Further renovations for 188 W process and additional improvement of W target treatment will also be discussed.

07 ISOTOPE AND RADIATION SOURCES↗