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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

TU-F-CAMPUS-I-04: Head-Only Asymmetric Gradient System Evaluation: ACR Image Quality and Acoustic Noise

Purpose: A high-performance head-only magnetic resonance imaging gradient system with an acquisition volume of 26 cm employing an asymmetric design for the transverse coils has been developed. It is able to reach a magnitude of 85 mT/m at a slew rate of 700 T/m/s, but operated at 80 mT/m and 500 T/m/s for this test. A challenge resulting from this asymmetric design is that the gradient nonlinearly exhibits both odd- and even-ordered terms, and as the full imaging field of view is often used, the nonlinearity is pronounced. The purpose of this work is to show the system can produce clinically useful images after an on-site gradient nonlinearity calibration and correction, and show that acoustic noise levels fall within non-significant risk (NSR) limits for standard clinical pulse sequences. Methods: The head-only gradient system was inserted into a standard 3T wide-bore scanner without acoustic damping. The ACR phantom was scanned in an 8-channel receive-only head coil and the standard American College of Radiology (ACR) MRI quality control (QC) test was performed. Acoustic noise levels were measured for several standard pulse sequences. Results: Images acquired with the head-only gradient system passed all ACR MR image quality tests; Both even and odd-order gradient distortion correction terms were required for the asymmetric gradients to pass. Acoustic noise measurements were within FDA NSR guidelines of 99 dBA (with assumed 20 dBA hearing protection) A-weighted and 140 dB for peak for all but one sequence. Note the gradient system was installed without any shroud or acoustic batting. We expect final system integration to greatly reduce noise experienced by the patient. Conclusion: A high-performance head-only asymmetric gradient system operating at 80 mT/m and 500 T/m/s conforms to FDA acoustic noise limits in all but one case, and passes all the ACR MR image quality control tests. This work was supported in part by the NIH grant 5R01EB010065.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Level Structure of {sup 31}S Via {sup 32}S({ital p,d}) {sup 31}S

Background: Properties of proton-unbound S-31 states determine the P-30(p, gamma) S-31 reaction rate, which has a significant impact on explosive hydrogen burning in classical novae and type-I x-ray bursts. Despite several previous studies, uncertainties still remain with respect to the nuclear structure of S-31 near the proton threshold. Purpose: The level structure of S-31 has been presently investigated via a charged-particle spectroscopy experiment using the S-32(p, d) S-31 reaction. Method: Deuterons corresponding to S-31 excited states with 3.285 <= E-x <= 10.8 MeV were momentum analyzed via an Enge split-pole spectrograph at six laboratory angles between 10 degrees and 62 degrees. Differential cross sections of the S-32(p, d)S-31 reaction were measured at E-p = 34.5 MeV. Distorted-wave Born approximation calculations were performed to constrain the spin-parity assignments of several of the observed levels. Results: We have detected 72 excited states of S-31, out of which 17 are within the astrophysical region of interest corresponding to the temperature range of 0.1-1.5 GK. We have resolved the discrepancy in the spin and parity of an excited state with E-x = 6542 keV, showing that is it not J(pi) = 3/2(-), and therefore the contribution of this state to the P-30(p, gamma) reaction rate is likely much less significant than previously thought owing to the larger angular-momentum transfer required to populate this excited state. Moreover, our measurement results help consolidate the spin-parity assignments for the 6377 and 6636 keV states in S-31. Conclusions: This work presents the most comprehensive spin-parity assignments to date from a single-neutron transfer reaction on S-32 to S-31 excited states in the region between 6 to 7 MeV excitation energy. This region is significant for the determination of the P-30(p, gamma)S-30 reaction rate over the temperatures characteristic of explosive hydrogen burning in novae.

Setoodehnia, K.↗
DOE OSTI2018

Enhanced visible-light-driven photocatalytic activities of Bi2Fe4O9/g-C3N4 composite photocatalysts

Highlights: • The novel Bi{sub 2}Fe{sub 4}O{sub 9}/g-C{sub 3}N{sub 4} composite photocatalysts have been designed and prepared. • Combination of Bi{sub 2}Fe{sub 4}O{sub 9} and g-C{sub 3}N{sub 4} could enhance the visible-light-driven photocatalytic degradation for RhB. • The effects of Bi{sub 2}Fe{sub 4}O{sub 9}/g-C{sub 3}N{sub 4} weight ratios on photocatalytic performance in the composite have been discussed. • The Z-scheme photocatalytic mechanism was proposed and discussed in detail. - Abstract: A series of Bi{sub 2}Fe{sub 4}O{sub 9}/g-C{sub 3}N{sub 4} composite photocatalysts are prepared via a facile mixing-calcination method. The crystal structures of composites are investigated by X-ray Diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FT-IR). The Field Emission Scanning Electron Microscope (FE-SEM) in combination with Energy Dispersive X-ray Spectroscopy (EDS) mapping analysis and Transmission Electron Microcopy (TEM) images illustrate the uniform distribution of constituent elements and clear interface between Bi{sub 2}Fe{sub 4}O{sub 9} and g-C{sub 3}N{sub 4} component. The visible-light-driven photocatalytic rates of Rhodamine B over Bi{sub 2}Fe{sub 4}O{sub 9}/g-C{sub 3}N{sub 4} composites increase and then decrease with the increase of g-C{sub 3}N{sub 4} content. The effects of Bi{sub 2}Fe{sub 4}O{sub 9}/g-C{sub 3}N{sub 4} weight ratios on photocatalytic performance are thoroughly discussed. Meanwhile, the active species trapping experiments and the electrochemical impedance spectra as well as the electronic energy-band structure estimation analysis demonstrate that the photocatalytic mechanism for Bi{sub 2}Fe{sub 4}O{sub 9}/g-C{sub 3}N{sub 4} composites is ascribed to the Z-scheme. In addition, the recyclability and stability experiments of the composite are also studied.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Heterogeneity of the Dominant Causes of Performance Loss in End-of-Life Cathodes and Their Consequences for Direct Recycling

Recycling Li-ion batteries from electric vehicles is critical for reducing costs and supporting the development of a domestic battery supply chain. Direct recycling of cathodes, like LiNixMnyCozO2 (NMC), is attractive due to its low cost, energy use, and emissions compared to traditional recycling techniques. However, a comprehensive understanding of the active material properties at end-of-life is needed to guide direct recycling processes and the performance-dependent reuse applications. Here, NMC material from an end-of-life commercial pouch cell is characterized and bench-marked against pristine non-cycled counterparts with respect to capacity, impedance, crystallography, morphology, and microstructure to identify major degradation modes and understand variability in the end-of-life material. The spatial heterogeneity of each property throughout the cell is also quantified. While the degraded material demonstrated similar capacity as the pristine, its impedance and rate capability are severely diminished. Furthermore, samples from the periphery of the electrode layers showed more severe performance loss compared to samples extracted from central regions. The dominant culprit of performance loss is the material microstructure, where the magnitude of particle cracking showed the strongest correlation to the impedance components that are most unfavorably impacted. This work suggests severe cracks in cathode active materials are the primary challenge that direct recycling methods must overcome.

25 ENERGY STORAGE↗
DOE OSTI2017

Comparative effectiveness of coronary CT angiography vs stress cardiac imaging in patients following hospital admission for chest pain work-up: The Prospective First Evaluation in Chest Pain (PERFECT) Trial

Background: Because the frequency of cardiac event rates is low among chest pain patients following either performance of coronary CT angiography (CCTA) or stress testing, there is a need to better assess how these tests influence the central management decisions that follow from cardiac testing. The present study was performed to assess the relative impact of CCTA vs stress testing on medical therapies and downstream resource utilization among patients admitted for the work-up of chest pain. Methods: The admitted patients were randomized in a 1:1 ratio to either cardiac imaging stress test or CCTA. Primary outcomes were time to discharge, change in medication usage, and frequency of downstream testing, cardiac interventions, and cardiovascular re-hospitalizations. We randomized 411 patients, 205 to stress testing, and 206 to CCTA. Results: There were no differences in time to discharge or initiation of new cardiac medications at discharge. At 1 year follow-up, there was no difference in the number of patients who underwent cardiovascular downstream tests in the CCTA vs stress test patients (21% vs 15%, P = .1) or cardiovascular hospitalizations (14% vs 16%, P = .5). However, there was a higher frequency of invasive angiography in the CCTA group (11% vs 2%, P = .001) and percutaneous coronary interventions (6% vs 0%, P < .001). Conclusions: Randomization of hospitalized patients admitted for chest pain work-up to either CCTA or to stress testing resulted in similar discharge times, change in medical therapies at discharge, frequency of downstream noninvasive testing, and repeat hospitalizations. However, a higher frequency of invasive coronary angiography and revascularization procedures were performed in the CCTA arm. (ClinicalTrials.gov number, NCT01604655.)

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Parameter covariance and non-uniqueness in material model calibration using the Virtual Fields Method

Traditionally, material identification is performed using global load and displacement data from simple boundary-value problems such as uni-axial tensile and simple shear tests. More recently, however, inverse techniques such as the Virtual Fields Method (VFM) that capitalize on heterogeneous, full-field deformation data have gained popularity. In this work, we have written a VFM code in a finite-deformation framework for calibration of a viscoplastic (i.e. strain-rate dependent) material model for 304L stainless steel. Using simulated experimental data generated via finite-element analysis (FEA), we verified our VFM code and compared the identified parameters with the reference parameters input into the FEA. The identified material model parameters had surprisingly large error compared to the reference parameters, which was traced to parameter covariance and the existence of many essentially equivalent parameter sets. This parameter non-uniqueness and its implications for FEA predictions is discussed in detail. Lastly, we present two strategies to reduce parameter covariance – reduced parametrization of the material model and increased richness of the calibration data – which allow for the recovery of a unique solution.

304L stainless steel↗
DOE OSTI2017

Prospective Study of Hippocampal-Sparing Prophylactic Cranial Irradiation in Limited-Stage Small Cell Lung Cancer

Purpose: To prospectively evaluate cognitive function and intracranial failure patterns after hippocampal-sparing prophylactic cranial irradiation (PCI) for limited-stage small cell lung cancer (SCLC). Methods and Materials: Adults with limited-stage SCLC, achieving a complete response to chemoradiotherapy and no brain metastases, were eligible. Patients received PCI 25 Gy/10 fractions, with a mean hippocampal dose limited to <8 Gy and ≥90% of the brain receiving 90% of the prescription. A diverse battery of neuropsychological testing was performed at baseline and 6 and 12 months after PCI. Brain MRI scans were performed at baseline and 6, 12, 18, and 24 months. The primary endpoint was memory measured by the Hopkins Verbal Learning Test-Revised Delayed Recall at 6 months after PCI. The 25-Gy arm of Radiation Therapy Oncology Group protocol 0212 was used as a reference of potential efficacy. Development of intracranial metastases was recorded. Overall survival and progression-free survival were estimated using the Kaplan-Meier method. Results: Eight men and 12 women with a median age of 61 years enrolled. Two-year overall survival was 88% (95% confidence interval 68%-100%). There was no significant decline in performance between baseline and 6 or 12 months for any of the tests. The association between baseline intelligence quotient and change in performance on testing was not significant. Magnetic resonance imaging revealed asymptomatic brain metastases at a cumulative rate of 20%, with no concurrent extracranial progression. Two patients developed a metastasis in the under-dosed region. Neither involved the dentate gyrus, but 1 involved the avoidance region. Both patients concurrently developed additional metastasis in fully treated brain regions. There were 2 neurologic deaths. Conclusions: This prospective study suggests a potential benefit of hippocampal sparing in limiting the neuropsychological sequelae of brain radiation, but with a risk of failures in the spared region. These data strongly support continued enrollment on ongoing cooperative group randomized trials. Clinical Trials registration number: (NCT01797159).

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Influence of chemical substitution on the photoluminescence of Sr{sub (1−x)}Pb{sub x}WO{sub 4} solid solution

The solid solution Sr{sub 1−x}Pb{sub x}WO{sub 4} based on luminescent tungstates SrWO{sub 4} and PbWO{sub 4} has been synthesized by solid-state reaction for all compositions 0≤x≤1. Using Rietveld method, the structural data of all polycrystalline samples have been refined and crystal cell parameters exhibited a linear behavior as a function of x. All substituted structures are of scheelite type. Scanning electron microscopy showed that a high level of crystallization characterized the samples, with modifications in sizes and shapes depending on composition x. Infrared and Raman spectroscopy have been performed to characterize the evolution of vibrational modes with substitution rate. Finally, a systematic study of luminescence under X-ray excitation has been performed: in the composition range x=0.2 to 0.4, intensities of emission exhibited increased values. The luminescence profiles have been interpreted in terms of four Gaussian components, two of them depending on substitution rate. - Graphical abstract: Photoluminescence under X-ray excitation of Sr{sub 1−x}Pb{sub x}WO{sub 4} solid solution: (left) decomposition of emission large band into four components for composition x=0.3; (right) variation of total emission intensity with composition x. - Highlights: • Structural study of solid solution Sr{sub 1−x}Pb{sub x} WO{sub 4} using Rietveld analyses. • Variation of Debye–Waller factor with composition x, disorder parameter. • Existence of four components of luminescence under X-ray excitation. • Effect of substitution of Sr by Pb on two components, due to Pb–O–W interactions. • Enhancement of luminescence intensity in a specific composition range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Review of heat transfer enhancement techniques for single phase flows

The thermal energy exchange between a flowing fluid and its confining channel is a ubiquitous process in modern society. To enhance the fluid-to-wall or wall-to-fluid heat transfer, several techniques have been developed to maximize the contact area between the fluid and the inner wall and/or disrupt the flow to enhance circulation or induce turbulence. Deployment of channels having features capable of enhancing heat transfer enables the reduction of heat exchanger size while maintaining performance. Reduction in equipment size is critical due to the ability to minimize the required volume of costly working fluids and to mitigate potential safety concerns associated with total system fluid volume. Here, a comprehensive review of single-phase heat transfer enhancement techniques is presented. The article provides a thorough comparison by analyzing the heat transfer rate, pressure drop, and other operational aspects. Single-phase heat transfer enhancement methods are divided into active and passive techniques. Active methods such as electrohydrodynamic (EHD), magnetohydrodynamics (MHD), or mechanical motion require external power to create enhancement. Passive methods such as dimples, fins, or tape inserts do not require external input and rely only on surface modification. Although active methods are more expensive and difficult to implement compared to passive techniques, it enables active control of heat transfer augmentation. Finally, this review develops and summarizes key learning data for design optimization enabled by additive manufacturing and machine learning algorithms, helping to inform these next-generation heat exchanger design methodologies for a plethora of modern applications such as electrification of vehicles, computing, and classical industries.

42 ENGINEERING↗
DOE OSTI2024

Fiber Sorbents – A Versatile Platform for Sorption-Based Gas Separations

Increasing demand for high-purity fine chemicals and a drive for process intensification of large-scale separations have driven significant work on the development of highly engineered porous materials with promise for sorption-based separations. While sorptive separations in porous materials offer energy-efficient alternatives to longstanding thermal-based methods, the particulate nature of many of these sorbents has sometimes limited their large-scale deployment in high-throughput applications such as gas separations, for which the necessary high feed flow rates and gas velocities accrue prohibitive operational costs. These processability limitations have been historically addressed through powder shaping methods aimed at the fabrication of structured sorbent contactors based on pellets, beads or monoliths, commonly obtained as extrudates. These structures overcome limitations such as elevated pressure drops commonly recorded across powder adsorption beds but often accrue thermal limitations arising from elevated particle density and aggregation, which ultimately cap their maximum separation performance. Furthermore, the harsh mechanical strain to which powder particles are subjected during contactor fabrication, in the form of extrusion/compression forces, can result in partial pore occlusion and framework degradation, further limiting their performance. Here, we present the development of porous fiber sorbents as an alternative sorbent contactor design capable of addressing sorbent processability limitations while enabling an array of performance-maximizing heat integration capabilities. This new sorbent form factor leverages pre-existing know-how from hollow fiber spinning to produce fiber-shaped sorbent contactors through the phase inversion of known polymers in a process known as dry-jet/wet quenching. The process of phase inversion allows microporous sorbent particles to be latched onto a macroporous polymer matrix under mild processing conditions, thus making it compatible with soft porous materials prone to amorphization under traditional pelletization conditions. Sorbent fibers can be created with different geometries through control of the spinning apparatus and process, offering the possibility to produce monolithic and hollow fibers alike, the latter of which can be integrated with thermalization fluid flows. In this Account, we summarize our progress in the field of fiber sorbents from both design and application standpoints. We further guide the reader through the evolution of this field from the early inceptive work on zeolite hollow fibers to recent developments on MOF fibers. We highlight the versatile nature of fiber sorbents, both from the composition, fabrication and structure points of view, and further demonstrate how fiber sorbents offer alternative paths in tackling new and challenging chemical separation challenges like direct air capture (DAC), with a final perspective on the future of the field.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Cool carriers: triplet diffusion dominates upconversion yield

Perovskites have gained popularity both as the active material in photovoltaics and as bulk triplet sensitizers for solid-state triplet–triplet annihilation upconversion (TTA-UC). Prior to widespread implementation into commercial photovoltaics, an in-depth understanding of the environmental influences on device performance is required. To this point, the temperature-dependent structure–function properties of TTA-UC within methylammonium formamidinium lead triiodide (MAFA)/rubrene UC devices are explored. A strong temperature dependence of the underlying UC dynamics is observed, where the maximum UC efficiency is achieved at 170 K, reflecting the competition between triplet diffusion length, diffusion rate, and triplet–triplet encounter events. Furthermore, a combination of spectroscopic and structural methods and theoretical modelling illustrates that despite the significantly increased carrier lifetime of the perovskite at low temperatures, the TTA-UC dynamics are not governed by the underlying sensitizer properties but rather limited by the underlying triplet diffusion.

Sullivan, Colette M.↗
DOE OSTI2015

Muon background studies for shallow depth Double - Chooz near detector

Muon events are one of the main concerns regarding background in neutrino experiments. The placement of experimental set-ups in deep underground facilities reduce considerably their impact on the research of the expected signals. But in the cases where the detector is installed on surface or at shallow depth, muon flux remains high, being necessary their precise identification for further rejection. Total flux, mean energy or angular distributions are some of the parameters that can help to characterize the muons. Empirically, the muon rate can be measured in an experiment by a number of methods. Nevertheless, the capability to determine the muons angular distribution strongly depends on the detector features, while the measurement of the muon energy is quite difficult. Also considering that on-site measurements can not be extrapolated to other sites due to the difference on the overburden and its profile, it is necessary to find an adequate solution to perform the muon characterization. The method described in this work to obtain the main features of the muons reaching the experimental set-up, is based on the muon transport simulation by the MUSIC software, combined with a dedicated sampling algorithm for shallow depth installations based on a modified Gaisser parametrization. This method provides all the required information about the muons for any shallow depth installation if the corresponding overburden profile is implemented. In this work, the method has been applied for the recently commissioned Double - Chooz near detector, which will allow the cross-check between the simulation and the experimental data, as it has been done for the far detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Statistical-learning strategies generate only modestly performing predictive models for urinary symptoms following external beam radiotherapy of the prostate: A comparison of conventional and machine-learning methods

Purpose: Given the paucity of available data concerning radiotherapy-induced urinary toxicity, it is important to ensure derivation of the most robust models with superior predictive performance. This work explores multiple statistical-learning strategies for prediction of urinary symptoms following external beam radiotherapy of the prostate. Methods: The performance of logistic regression, elastic-net, support-vector machine, random forest, neural network, and multivariate adaptive regression splines (MARS) to predict urinary symptoms was analyzed using data from 754 participants accrued by TROG03.04-RADAR. Predictive features included dose-surface data, comorbidities, and medication-intake. Four symptoms were analyzed: dysuria, haematuria, incontinence, and frequency, each with three definitions (grade ≥ 1, grade ≥ 2 and longitudinal) with event rate between 2.3% and 76.1%. Repeated cross-validations producing matched models were implemented. A synthetic minority oversampling technique was utilized in endpoints with rare events. Parameter optimization was performed on the training data. Area under the receiver operating characteristic curve (AUROC) was used to compare performance using sample size to detect differences of ≥0.05 at the 95% confidence level. Results: Logistic regression, elastic-net, random forest, MARS, and support-vector machine were the highest-performing statistical-learning strategies in 3, 3, 3, 2, and 1 endpoints, respectively. Logistic regression, MARS, elastic-net, random forest, neural network, and support-vector machine were the best, or were not significantly worse than the best, in 7, 7, 5, 5, 3, and 1 endpoints. The best-performing statistical model was for dysuria grade ≥ 1 with AUROC ± standard deviation of 0.649 ± 0.074 using MARS. For longitudinal frequency and dysuria grade ≥ 1, all strategies produced AUROC>0.6 while all haematuria endpoints and longitudinal incontinence models produced AUROC<0.6. Conclusions: Logistic regression and MARS were most likely to be the best-performing strategy for the prediction of urinary symptoms with elastic-net and random forest producing competitive results. The predictive power of the models was modest and endpoint-dependent. New features, including spatial dose maps, may be necessary to achieve better models.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Tuning the Porous Structure in PMMA-Templated Mesoporous MoO 2 for Pseudocapacitive Li-Ion Electrodes

MoO 2 is an exciting candidate for next-generation energy storage. It can be used for fast-charging applications in nanoscale form, but its kinetic performance is often limited by insulating MoO 3 surface oxide layers. Here, we developed methods to produce polymer-templated porous MoO 2 powders where electrical conductivity was well-maintained throughout the structure, even in the presence of some surface oxidation. Porosity, pore size, and crystallite size were controlled by varying the amount and size of the colloidal templates and through calcination temperature. The electrochemical performance was correlated with nanoscale structure: samples with high porosity, medium pore sizes, and good crystallinity display optimal rate capabilities, with over 100 mAh g −1 delivered in 3 min and 93% capacity retention after 1000 cycles. Kinetic studies were performed on samples with the largest and smallest crystallite sizes to understand the charge storage mechanism. In the sample with the smallest crystallite size, 85% of the total stored charge was capacitive, compared to 60% for the largest crystallite size. Sloping voltage profiles in materials with smaller domain sizes further suggest suppression of intercalation-induced phase transitions. This work thus provides insights into the mechanisms of charge storage in nanoscale MoO 2 and design parameters for the production of fast charging materials.

25 ENERGY STORAGE↗
DOE OSTI2020

PV O&M Cost Model [SWR-21-14]

This tool presents a method for calculating costs associated with the operation and maintenance (O&M) of photovoltaic (PV) systems. The tool compiles details regarding the cost and frequency of multiple O&M services to estimate annual O&M costs ($/year) for each year of an analysis period, the net present value ($) of life cycle costs accumulated over the analysis period, and the reserve account amount ($) that might be required to fund unexpected repairs. The reserve account includes parts inventory and is important for providing a source of funds to make repairs quickly and avoid lost production. This method allows a detailed selection of services to perform based on system size, market served (e.g., residential, commercial, or utility), type and configuration of system components (e.g., micro-, string, or central inverter), and site and environmental conditions (e.g., pollen, bird populations) which is an improvement over simple per unit valuations of O&M costs ($/kW/year). This model also distinguishes costs that vary from year to year and increase at different rates over time as modeled by heuristic failure distributions (e.g., Weibull or Lognormal distribution) based on actuarial data for many of the services.

Walker, Andy↗
DOE OSTI2022

Validation of MPACT BWR capabilities against critical experiments

Over the years, significant validation work for the neutronics code MPACT has been performed against zero-power critical benchmarks and measured data from operating nuclear power plants. As a part of the Modeling and Analysis of Exelon BWRs for Eigenvalue and Thermal Limits Predictability project, new validation efforts relevant to boiling water reactor (BWR) core applications have been performed. This paper presents the results of the critical experiment portion of the BWR validation efforts for MPACT. The Kritz-4 experiments and IPEN/MB-01 BWR-relevant configurations are modeled with MPACT. The Kritz-4 BWR critical experiments were performed at both cold and hot conditions, which is a unique feature among other critical experiment facilities. The MPACT results with linear source (LS) Method of Characteristics (MOC) have very good agreement with the measured criticality. When using the 60-group BWR library with LS and P2 scattering, the maximum k{sub eff} error is 109 pcm, and the average cold-hot bias is only -0.11 pcm/K. The fission rate distributions of MPACT are also verified with Serpent calculations. For the IPEN facility, two configurations are considered: one with a large central void, and one with a cruciform control rod. The MPACT k{sub eff} errors are less than 50 pcm for all IPEN problems. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Annual LDRD Report (FY2019)

The performance of Nuclear Deterrence (ND) systems could be improved by adopting advanced commercial CMOS technologies. However, the radiation hardness of these ND systems must be assured. This project quantified dose rate upset thresholds, allowing us to evaluate whether advanced commercial technologies can be used in rad hard applications. This project also evaluated the susceptibility of advanced commercial technologies to neutron displacement damage and single event effects, and developed hardness assurance methods. As a result of this work, Sandia is now collaborating more closely with DoD agencies and their contractors to understand and improve the radiation hardness of advanced commercial technologies. Sandia Capabilities (SPHINX, lon Beam Lab, FPGA test capabilities) were developed and are being utilized by other programs. Staff were trained to do radiation survivability testing and developed proposals that were funded. Internal and external collaborations and partnerships were developed, including with Georgia Tech. This project received the Best Paper award at the 2019 Hardened Electronics And Radiation Technology (HEART) Conference.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Self-Assembling Cell-Free Systems for Scalable Bioconversion

This project focused on developing cell-free systems to directly express multi-enzyme catalysts and perform CO2 bioconversions for industrial chemical production. The use of cell-free expression (CFE) systems derived from bacterial lysates is emerging as a promising approach for biomanufacturing. CFEs are genetically programmable, permit the expression of toxic enzymes, and allow for rapid prototyping of metabolic pathways. Research Contributions: 1. Understanding the Area Investigated: This research advances the understanding of cell-free systems by demonstrating their capability to perform complex multi-enzyme reactions. By directly expressing multi-gene systems, CFEs avoid the high costs and inefficiencies associated with producing and purifying enzymes for multi-step pathways. 2. Technical Effectiveness and Economic Feasibility: The project successfully engineered a CFE-based multienzyme biocatalyst for the de novo synthesis of serine and glycine from CO2 equivalents (formate and bicarbonate) and ammonia. This method achieved a 30% conversion rate of formate into these industrially important amino acids. Additionally, an 8-gene CFE biocatalyst was developed to produce malate, conserving 43% of carbon that would otherwise be lost as CO2. This approach has the potential to reach higher carbon efficiency than microbial production. 3. Public Benefit: The cell-free production of chemicals like serine, glycine, and malate using electrochemically generated formate could significantly reduce CO2 emissions. For example, satisfying the global malate market with this method could avoid approximately 400,000 tons of CO2 emissions annually. This work demonstrates the potential of CFE systems to produce platform chemicals, contributing to environmental sustainability and reducing reliance on petrochemicals. Future Prospects: The CFE-based biocatalyst process could be extended to produce a variety of chemicals, including other industrial di-acids, aromatics, terpenes, alcohols, and polymers. This project showcases the capabilities of cell-free expression systems for prototyping carbon-conserving pathways and sustainably bioproducing platform chemicals, marking a significant step towards economically-viable industrial processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗