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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Ferredoxin reductase regulates proliferation, differentiation, cell cycle and lipogenesis but not apoptosis in SZ95 sebocytes

Highlights: • FDXR expression is increased in sebaceous cells of acne lesions. • FDXR may enhance sebocyte differentiation and lipogenesis via ROS production. • FDXR might inhibit proliferation through inducing G2/S blockade. • IGF-1 could facilitate sebaceous differentiation and lipogenesis via PI3K/Akt/FDXR pathway. Ferredoxin reductase (FDXR), a mitochondrial membrane-associated flavoprotein, is essential for electron transfer and modulates p53-dependent apoptosis in cancer cells.FDXR may be implicated in epidermal and sebocytic differentiation, but its explicit function in sebocytes remains to be elucidated. In the present study, immunohistochemistry revealed that FDXR expression was increased in sebaceous cells of acne lesions. FDXR, PPARγ, LXRα/β, SREBP1 and Sox9 expression was incremental during sebocyte differentiation. FDXR overexpression induced by Ad-GFP-FDXR infection enhanced differentiation, reactive oxygen species (ROS), lipogenesis and PPARγ expression, and consequnently inhibited proliferation in SZ95 sebocytes. Flow cytometry showed that FDXR overexpression induced significant blockade of G2/M phase but had no effect on sub-G1 (apoptotic) sebocytes. Insulin-like growth factor-1 (IGF-1)-induced FDXR and PPARγ expression and lipogenesis were abolished by pretreatment with PI3K inhibitor LY294002. These results suggest that FDXR overexpression might promote differentiation and lipogenesis via ROS production and suppress proliferation via G2/S blockade in SZ95 sebocytes. IGF-1 could facilitate differentiation and lipogenesis through PI3K/Akt/FDXR pathway. FDXR could serve as a potential marker of advanced sebaceous differentiation, and its overexpression may be involved in the development of acne lesions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Oxidative stress is a shared characteristic of ME/CFS and Long COVID

Over 65 million individuals worldwide are estimated to have Long COVID (LC), a complex multisystemic condition marked by fatigue, post-exertional malaise, and other symptoms resembling myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS). With no clinically approved treatments or reliable diagnostic markers, there is an urgent need to define the molecular underpinnings of these conditions. By studying bioenergetic characteristics of peripheral blood lymphocytes in 25 healthy controls, 27 ME/CFS, and 20 LC donors, we find both ME/CFS and LC donors exhibit signs of elevated oxidative stress, especially in the memory subset. Using a combination of flow cytometry, RNA-seq, mass spectrometry, and systems chemistry analysis, we observed aberrations in reactive oxygen species (ROS) clearance pathways including elevated glutathione levels, decreases in mitochondrial superoxide dismutase protein levels, and glutathione peroxidase 4–mediated lipid oxidative damage. Strikingly, these redox pathways changes show sex-specific trends. While ME/CFS females exhibit higher total ROS and mitochondrial calcium levels, males have normal ROS levels, with pronounced mitochondrial lipid oxidative damage. In females, these higher ROS levels correlate with T cell hyperproliferation, consistent with the known role of elevated ROS in initiating proliferation. This hyperproliferation can be attenuated by metformin, suggesting this Food and Drug Administration (FDA)-approved drug as a possible treatment, as also suggested by a recent clinical study of LC patients. Moreover, these results suggest a shared mechanistic basis for the systemic phenotypes of ME/CFS and LC, which can be detected by quantitative blood cell measurements, and that effective, patient-tailored drugs might be discovered using standard lymphocyte stimulation assays.

ME/CFS↗
DOE OSTI2024

Multiphysics Demonstration of Temperature-Driven Assembly Bowing in SFRs using MOOSE-Based Codes

Core bowing is an important passive safety mechanism in liquid metal cooled fast reactors. When the core restraint system is properly designed, temperature and flux gradients influence assemblies in the core to bow into less reactive configurations during accident scenarios, resulting in negative reactivity feedback. Prediction of core bowing involves complex interplay of radiation transport, impacts of fluid flow and heat transfer on duct temperature, and mechanical responses to the induced temperature and flux gradients. Under the U.S. Department of Energy Office of Nuclear Energy’s Advanced Modeling and Simulation (NEAMS) Program [1], an integrated multiphysics approach is being developed to model the core bowing phenomena in liquid metal-cooled fast reactors with the Multiphysics Object Oriented Simulation Environment (MOOSE) [2]. In this methodology, the MOOSE-based reactor physics code Griffin [3] will solve the neutron transport equation and determine the power distribution. With the detailed power distribution from Griffin, the subchannel analysis codes MOOSE-Subchannel [4] and Pronghorn [5] are utilized to calculate the assembly temperature distribution. MOOSE’s Solid Mechanics [6] and Contact [7] Modules are leveraged to calculate the thermal expansion and duct bowing displacement with the duct wall temperature from thermal hydraulics calculation. In this work, an initial one-way coupling demonstration of the integrated multiphysics approach has been performed on a seven-assembly problem based on the sodium-cooled fast reactor ABR-1000 design [8]. The neutronics calculation with Griffin is not yet involved in the current simulation. MOOSE-Subchannel and Pronghorn evaluate fluid and solid temperature based on a fixed power distribution. In addition, one-way coupling is utilized in this coupled calculation, via Pronghorn passing the duct temperature data to the MOOSE Solid Mechanics calculation. An assessment of the Solid Mechanics module was performed in parallel to verify duct bowing behavior with duct-to-duct contact phenomenon [9]. The displacement from MOOSE Solid Mechanics is not yet transferred back and utilized in the Pronghorn and MOOSE-Subchannel calculation. This model will be available on the National Reactor Innovation Center (NRIC) Virtual Test Bed (VTB) repository [10]. Future stages of this work will involve solving problems of increasing complexity as well as adding more physics (e.g. reactor physics) to the integrated workflow to reach the end goal of modeling the core bowing phenomenon with an integrated multiphysics workflow.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Continued Verification of MOOSE Structural Mechanics Tools for Modeling Core Bowing Phenomena in Fast Reactors

Under the U.S. Department of Energy Office of Nuclear Energy’s Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism whereby increased power (which leads to temperature and flux gradients) influences the core to bow into less reactive configurations when the restraint system is properly designed. The phenomenon includes a complex interplay of radiation transport, duct temperature calculations involving fluid flow and heat transfer, and thermo-mechanical responses to the induced temperature and flux gradients. Structural material properties are also important to determining inelastic response to longer term flux gradients which cause irradiation creep and swelling. While core bowing provides a strong negative reactivity feedback when the restraint system is designed properly, it also results in additional forces between assemblies which increase the loads required to extricate them during refueling or control rod movement. Therefore, the restraint system must be designed with these tradeoffs in mind. The first stage of the work, which commenced in FY21 and continues through FY22, assesses thermo-mechanical modeling tools for producing core bowing predictions consistent with conventional tools. The Multiphysics Object Oriented Simulation Environment (MOOSE) Tensor Mechanics and Contact Modules are employed. This status report describes work on additional thermo-mechanical benchmark verification problems with increased complexity from the examples demonstrated in FY21. Several benchmark verification examples were selected from the IAEA verification and validation report. These examples involve clusters of ducts representative of a sector of a hexagonal reactor core which bow into each other and cause contact and load pad elevations, as well as single ducts subjected to irradiation fields undergoing swelling and subsequent bowing. The MOOSE-based results were compared to both IAEA benchmark participants’ results, analytic equations as available, and NUBOW-3D, a beam model code developed by Argonne National Laboratory. In every case, the MOOSE results agreed with other simulations results, providing additional verification basis of the tools for this particular physics application.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

FY23 Status Report on MOOSE-Based Approaches to Modeling Core Bowing in Fast Reactors

Under the U.S. Department of Energy Office of Nuclear Energy’s Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism whereby increased power (which leads to temperature and flux gradients) influences the core to bow into less reactive configurations when the restraint system is properly designed. The phenomenon includes a complex interplay of radiation transport, duct temperature calculations involving fluid flow and heat transfer, and thermo-mechanical responses to the induced temperature and flux gradients. Structural material properties are also important to determining inelastic response to longer term flux gradients which cause irradiation creep and swelling. While core bowing provides a strong negative reactivity feedback when the restraint system is designed properly, it also results in additional forces between assemblies which increase the loads required to extricate them during refueling or control rod movement. Therefore, the restraint system must be designed with these tradeoffs in mind. The first stage of the work, which commenced in FY21 and continues through FY23, assesses thermo-mechanical modeling tools for producing core bowing predictions consistent with conventional tools. The Multiphysics Object Oriented Simulation Environment (MOOSE) Tensor Mechanics and Contact Modules are employed. This status report describes work on additional thermo-mechanical benchmark verification problems with increased complexity from the examples demonstrated in FY21 and FY22. Several benchmark verification examples were selected from the IAEA verification and validation report with increased number of ducts and more complex contact interaction behavior. These examples involve a full symmetric sector with restraint rings at multiple load pad locations to simulate a limited free-bow restraint system concept, as well as irradiation induced swelling and creep effects in a sector. In addition, improvements to the contact module sideset assignment were assessed and compared with previous MOOSE results to verify the contact behavior. The MOOSE-based results were compared to IAEA benchmark participants’ results. In every case, the MOOSE results agreed with other simulations results for estimating bowing behavior, providing additional verification basis of the tools for this particular physics application. Estimation of contact forces were mostly in agreement, with a few outlier results. A plan was suggested for dealing with the discrepancies with estimating contact force values. In addition, a 1-way coupling demonstration was performed using subchannel analysis code Pronghorn-SC and MOOSE on an ABR-1000-design sodium-cooled fast reactor assembly to evaluate coolant and duct wall temperatures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Integrating Transactive Energy into Reliability Evaluation for a Self-healing Distribution System with Microgrid

Non-utility owned distributed energy resources (DERs) are mostly untapped currently, but they can provide many grid services such as voltage regulation and service restoration, if properly controlled, and can improve the distribution systems reliability when coordinated with utility-owned assets such as self-healing control and microgrids. This paper integrates transactive energy control into the distribution system reliability evaluation to quantitatively assess the impact of non-utility owned DERs on reliability improvement. Here, a transactive reactive power control strategy is designed to incentivize the DERs to provide reactive power support for improving voltage profiles thus enabling additional customer load restoration during an outage. Also, an operational sequence to coordinate the non-utility owned DERs with the utility owned self-healing control and utility owned microgrids is designed and integrated into the service restoration process with the operational constraints guaranteed by checking the three-phase unbalanced power flow for post-fault network reconfiguration. The reliability indices are then calculated through a Monte Carlo simulation. The transactive reactive power control strategy is tested on a four-feeder distribution system operated by Duke Energy in the U.S. Results demonstrate that the non-utility owned DERs with the transactive control improve the reliability of both the system and critical loads by more than 30%.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Modifying the resolving cysteine affects the structure and hydrogen peroxide reactivity of peroxiredoxin 2

Peroxiredoxin 2 (Prdx2) is a thiol peroxidase with an active site Cys (C52) that reacts rapidly with H 2 O 2 and other peroxides. The sulfenic acid product condenses with the resolving Cys (C172) to form a disulfide which is recycled by thioredoxin or GSH via mixed disulfide intermediates or undergoes hyperoxidation to the sulfinic acid. C172 lies near the C terminus, outside the active site. It is not established whether structural changes in this region, such as mixed disulfide formation, affect H 2 O 2 reactivity. To investigate, we designed mutants to cause minimal (C172S) or substantial (C172D and C172W) structural disruption. Stopped flow kinetics and mass spectrometry showed that mutation to Ser had minimal effect on rates of oxidation and hyperoxidation, whereas Asp and Trp decreased both by 100-fold. To relate to structural changes, we solved the crystal structures of reduced WT and C172S Prdx2. The WT structure is highly similar to that of the published hyperoxidized form. C172S is closely related but more flexible and as demonstrated by size exclusion chromatography and analytical ultracentrifugation, a weaker decamer. Size exclusion chromatography and analytical ultracentrifugation showed that the C172D and C172W mutants are also weaker decamers than WT, and small-angle X-ray scattering analysis indicated greater flexibility with partially unstructured regions consistent with C-terminal unfolding. We propose that these structural changes around C172 negatively impact the active site geometry to decrease reactivity with H 2 O 2 . This is relevant for Prdx turnover as intermediate mixed disulfides with C172 would also be disruptive and could potentially react with peroxides before resolution is complete.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Global Sensitivity Analysis of a Reactive Transport Model for Mineral Scale Formation During Hydraulic Fracturing

Injection of water-based hydraulic fracturing fluid (HFF) into tight shale gas/oil formations can increase formation permeability and enhance production rates, but this process frequently causes mineral scale formation that can occlude pore space and hinder flow. To identify the most important factors that control the formation of mineral scales, we applied a novel global sensitivity analysis method—distance-based generalized sensitivity analysis (DGSA)—to a reactive transport model (RTM) that was previously built and calibrated to simulate precipitation of barite [BaSO4] and iron (hydr)oxide [Fe(OH) 3 ] in shale matrices and on fracture surfaces. Reactive transport simulations were run with model parameters randomly sampled based on assigned uncertainties. Modeling results for barite and Fe(OH)3 formation were clustered using machine-learning algorithms. A list of ranked critical input parameters was obtained after statistical quantification of cumulative distribution functions of input parameters. We found that barite formation is most sensitive to the rate of sulfate ion generation, which is determined by the pyrite dissolution rate coefficient and oxidant availability. In addition, barite formation is sensitive to the initial amounts of barite in HFF and shale, followed by barite thermodynamics/kinetics. For Fe(OH) 3 formation, the ranked factors are Fe(OH)3 precipitation rate coefficients, initial HFF pH, initial Fe(OH) 3 amount in HFF, and oxidant availability. Overall, our results provide insights into managing mineral scale formation during hydraulic fracturing to enhance production. Meanwhile, this study serves as an example of global sensitivity analysis of RTMs using the efficient, straightforward, and open-source DGSA method.

58 GEOSCIENCES↗
DOE OSTI2021

Process intensification of CO 2 capture by low-aqueous solvent

Low-energy solvent-based CO 2 absorption processes have drawn attention as a next-generation post-combustion CO 2 capture technology to reduce CO2 emissions from fossil fuel– or biomass-fired power generation and industrial flue gas streams. A low-aqueous (or water-lean) solvent process may substantially reduce the thermal energy consumption for solvent regeneration. Low-aqueous solvent–based processes are thermally sensitive, requiring a delicate temperature control within the absorber because of the fast exothermic amine-CO 2 reaction and low heat capacity organic diluent. This reaction may result in heat accumulation in a packed absorption column and undesirable CO 2 desorption occurring as the solvent moves through the column, reducing the solvent’s CO 2 capture efficiency if its temperature is not controlled. Using a 3D printed intensified packing device, enhanced heat and mass transfer were demonstrated in an amine-CO 2 scrubbing process using low-aqueous solvent. The multifunctional intensified device facilitates contact of the reactive solvent and gas phases in a single stage and heat removal by a cooling fluid flowing through channels in the interior of the corrugated plates of the device. These functionalities led to effective thermal management along the column via intrastage cooling and significant improvement in CO 2 uptake under a wide range of operating conditions. Intrastage cooling effectively reduced the solvent average temperature along the column by ~10 °C and, as a result, the solvent’s capture efficiency improved by up to 25%.

42 ENGINEERING↗
DOE OSTI2025

SAS4A/SASSYS-1 Validation with FFTF Tests

The FFTF liquid sodium cooled test reactor was built to assist the development and testing of advanced fuels and material for fast reactors. The goals of the FFTF Passive Safety Testing program included confirming the safety margins of FFTF as a liquid metal reactor, providing data for computer code validation, and demonstrating the inherent and passive safety benefits of its specific design features. The program included thirteen unprotected loss of flow without scram tests. In preparation for the Passive Safety Testing program, a series of individual reactivity feedback tests were performed which were designed to simulate and validate specific features and reactivity feedbacks of the FFTF core.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Bulk Power System Flow Control

On July 28, 2023, the Federal Energy Regulatory Commission (FERC) issued Order Number 2023, targeting an improved generation-interconnection process in the United States. FERC Order No. 2023 requires transmission providers to evaluate transmission technologies, other than network expansion, that could provide system improvements and help expand bulk-power system capacity. Transmission providers must consider technologies that would fall under the category of Grid Enhancing Technologies (GETs), which provide capacity-expansion options other than conventional transmission expansion.

32 - ENERGY CONSERVATION, CONSUMPTION, AND UTILIZA↗
DOE OSTI2022

Probing multiscale dissolution dynamics in natural rocks through microfluidics and compositional analysis

Mineral dissolution significantly impacts many geological systems. Carbon released by diagenesis, carbon sequestration, and acid injection are examples where geochemical reactions, fluid flow, and solute transport are strongly coupled. The complexity in these systems involves interplay between various mechanisms that operate at timescales ranging from microseconds to years. Current experimental techniques characterize dissolution processes using static images that are acquired with long measurement times and/or low spatial resolution. These limitations prevent direct observation of how dissolution reactions progress within an intact rock with spatially heterogeneous mineralogy and morphology. We utilize microfluidic cells embedded with thin rock samples to visualize dissolution with significant temporal resolution (100 ms) in a large observation window (3 × 3 mm). Here we injected acidic fluid into eight shale samples ranging from 8 to 86 wt % carbonate. The pre- and postreaction microstructures are characterized at the scale of pores (0.1 to 1 µm) and fractures (1 to 1,000 µm). We observe that nonreactive particle exposure, fracture morphology, and loss of rock strength are strongly dependent on both the relative volume of reactive grains and their distribution. Time-resolved images of the rock unveil the spatiotemporal dynamics of dissolution, including two-phase flow effects in real time and illustrate the changes in the fracture interface across the range of compositions. Moreover, the dynamical data provide an approach for characterizing reactivity parameters of natural heterogeneous samples when porous media effects are not negligible. The platform and workflow provide real-time characterization of geochemical reactions and inform various subsurface engineering processes.

58 GEOSCIENCES↗
DOE OSTI2026

Stochastic fracture generation and thermo-hydro-mechanical modeling in an equivalent continuum framework for enhanced geothermal systems

Enhanced geothermal systems (EGS) involve fracturing low permeability material to establish well connectivity and then injecting and circulating fluid into the fractured subsurface for geothermal power production. Changes in fracture aperture from contraction of the cooling matrix rock may alter network connectivity and risk thermal short-circuiting. Thermo-hydro-mechanical (THM) models are a useful tool to study these processes. However, as fracture networks are complex, and data may be limited, fracture networks in THM models are often stochastically generated. Given reliance on stochastic fracture networks and THM modeling to represent the subsurface and assess productivity of EGS, increased understanding of the influence of such statistically derived fracture networks on flow and heat transport in THM models is needed. Here, a new fracture process model is developed in the reactive transport code PFLOTRAN to stochastically generate fracture families and simulate changes in fracture aperture over time due to temperature changes of the rock matrix. Sixty-four different fracture networks ranging from well to poorly-connected, are modeled in PFLOTRAN with and without mechanical processes (THM vs TH). Results indicate that for well-connected fracture networks, thermal short-circuiting is less of a concern due to the abundance of available alternative flowpaths. For poorly-connected fracture networks, inclusion of mechanical processes showed steep thermal drawdown coincident with increase in fracture aperture along developing colder flowpaths, demonstrating the risk of thermal short-circuiting. Simulations with additional, larger fractures engineered to establish connectivity in a poorly-fractured subsurface, indicate that while stochastic variation of fracture orientation of the background network had limited influence, such variation in the engineered fractures significantly affected flow and heat transport.

Discrete fracture networks (DFN)↗
DOE OSTI2025

Reactive Transport Modeling of Hydrogen Production from Serpentinization of Olivine

Hydrogen production from serpentinization of ultramafic rocks represents a promising natural pathway for generating carbon-free energy, yet its kinetics and controlling factors remain incompletely understood. A key challenge in advancing serpentinization research lies in the heterogeneity of porosity and permeability in rocks, which leads to nonuniform fluid velocity fields, as well as uncertainties in estimating reactive surface area and identifying appropriate mineral reaction equilibria. Additional complexities arise from the role of dissolved SiO 2 , Fe 2+ /Fe 3+ partitioning, and the limited effect of pH variations within the strongly alkaline regime on hydrogen yields. These challenges hinder straightforward extrapolation from laboratory tests to practical applications of hydrogen production from natural rocks. Here, in this work, we address these questions using a simulation-based reactive transport modeling framework calibrated against controlled laboratory experiments reported elsewhere. The model couples geochemical kinetics, multiphase flow, and mineralogical feedbacks, enabling systematic evaluation of how surface area, dissolved silica concentration, Fe redox state, temperature, and pressure govern serpentinization and H2 generation. We find that surface area exerts the strongest control on reaction rates and hydrogen yields, while Fe 2+ /Fe 3+ ratios act as secondary modulators. Elevated dissolved silica concentrations suppress hydrogen production but accelerate serpentine precipitation, whereas increasing pH beyond 12 within the strongly alkaline regime produces only marginal gains. Finally, we demonstrate that integrating targeted experiments with calibrated simulations offers a powerful and efficient approach for predicting hydrogen yields and assessing parameter trade-offs in industrial-scale applications. This integration can substantially reduce the experimental burden while improving predictive capability, thereby enhancing both the mechanistic understanding and the practical feasibility of hydrogen production from serpentinization.

08 HYDROGEN↗
DOE OSTI2025

A Reduced-Temperature Process for Preparing Atomically Clean Si(100) and SiGe(100) Surfaces with Vapor HF

Silicon processing techniques such as atomic precision advanced manufacturing (APAM) and epitaxial growth require surface preparations that activate oxide desorption (typically >1000 °C) and promote surface reconstruction toward atomically clean, flat, and ordered Si(100)-2 × 1. Here, in this study, we compare the aqueous and vapor phase cleaning of Si and Si/SiGe surfaces to prepare APAM-ready and epitaxy-ready surfaces at lower temperatures. Angle resolved X-ray photoelectron spectroscopy (ARXPS) and Fourier transform infrared (FTIR) spectroscopy indicate that vapor hydrogen fluoride (VHF) cleans dramatically reduce carbon surface contamination and allow the chemically prepared surface to reconstruct at lower temperatures, 600 °C for Si and 580 °C for a Si/Si 0.7 Ge 0.3 heterostructure, into an ordered atomic terrace structure indicated by scanning tunneling microscopy (STM). After thermal treatment and vacuum hydrogen termination, we demonstrate STM hydrogen desorption lithography (HDL) on VHF-treated Si samples, creating reactive zones that enable area-selective chemistry by using a thermal budget similar to CMOS process flows. We anticipate that these results will establish new pathways to integrate APAM with Si foundry processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Quantifying concentration distributions in redox flow batteries with neutron radiography

Abstract The continued advancement of electrochemical technologies requires an increasingly detailed understanding of the microscopic processes that control their performance, inspiring the development of new multi-modal diagnostic techniques. Here, we introduce a neutron imaging approach to enable the quantification of spatial and temporal variations in species concentrations within an operating redox flow cell. Specifically, we leverage the high attenuation of redox-active organic materials (high hydrogen content) and supporting electrolytes (boron-containing) in solution and perform subtractive neutron imaging of active species and supporting electrolyte. To resolve the concentration profiles across the electrodes, we employ an in-plane imaging configuration and correlate the concentration profiles to cell performance with polarization experiments under different operating conditions. Finally, we use time-of-flight neutron imaging to deconvolute concentrations of active species and supporting electrolyte during operation. Using this approach, we evaluate the influence of cell polarity, voltage bias and flow rate on the concentration distribution within the flow cell and correlate these with the macroscopic performance, thus obtaining an unprecedented level of insight into reactive mass transport. Ultimately, this diagnostic technique can be applied to a range of (electro)chemical technologies and may accelerate the development of new materials and reactor designs.

Science & Technology - Other Topics↗
DOE OSTI2023

SAS4A/SASSYS-1 Commercial Grade Dedication Example Report for a Generic Sodium Pool-Type Fast Reactor Application

In the U.S., a key component of the commercialization of advanced reactors is completion of a license application, which must ultimately be approved by the Nuclear Regulatory Commission (NRC). The approval of the license application by the NRC is contingent on satisfactory demonstration of the design basis and the response of the advanced reactor design to transient and accident scenarios using accepted codes and methods. This report describes the qualification and dedication requirements that the advanced reactor safety analysis system software SAS4A/SASSYS-1 are expected to need to fulfill to be used for sodium-cooled pool-type fast reactor licensing. The qualification and dedication requirements are identified through performance critical characteristics and evaluation model acceptance criteria representative of the advanced reactor design considered for licensing. This document captures, additionally, the verification process developed to demonstrate that the software fulfills the qualification and dedication requirements for a generic sodium-cooled pool-type fast reactor as part of the commercial grade dedication process. Like most software that has primarily existed in the research and development space, the most significant challenge facing SAS4A/SASSYS-1 for use in a licensing framework is the availability of a documentation basis describing the code pedigree. SAS4A/SASSYS-1 has been used for licensing of the fast flux test facility (FFTF) and the JOYO sodium-cooled fast reactor in Japan, as well as the design of the CRBR Plant. However, the historical verification and validation (V&V) activities supporting SAS4A/SASSYS-1 development do not align with modern software quality assurance (SQA) and V&V requirements. Two approaches to use of SAS4A/SASSYS-1 in a commercial licensing framework have been identified: commercial-grade dedication (CGD) and software qualification. The methods and requirements prescribed in the ASME NQA-1-2008/2009 Standard and Regulatory Guide 1.203 on the evaluation model development and assessment process (EMDAP) have been used as guidance to define the CGD and qualification processes, respectively. A qualification and dedication requirements matrix has been developed which utilizes fundamental software verification. In this process, software verification is defined as a software quality process aimed at defining software requirement specifications, developing software design documentation, and performing and documenting acceptance testing of the code against requirements. A key element of software qualification and dedication includes determination of software acceptance with respect to critical characteristics relevant to the functional requirements of the software. To assist with identification of cross-cutting transient phenomena and functional requirements, domestic SFR vendor designs have been reviewed to identify a reference SFR design. For this report, the reference design is defined as a pool-type reactor with metal alloy fuel, a liquid-metal intermediate heat transport system, and passive decay heat rejection systems. Given this reference, a series of high-level cross-cutting phenomena was identified for a general class of single-fault undercooling or reactivity insertion transients that scopes the design basis space, with the goal of assisting with prioritization of documentation development efforts for key transient models in SAS: 1) Reactivity feedback response prior to scram; 2) System-wide thermal inertia; 3) Transition in natural circulation flow regime in heat removal systems; 4) Decay heat generation; 5) Steady-state fuel characterization; 5) Clad/fuel behavior at elevated temperatures; 6) Point kinetics and decay heat; 7) Pump coastdown behavior; 8) Core flow redistribution in loss of forced convection; 9) Pool stratification. As a demonstration of CGD of SAS4A/SASSYS-1 for a sodium pool reactor, a software qualification and dedication gap analysis as it relates to code documentation has been performed. This effort leverages the framework established as part of the SAS4A/SASSYS-1 SQA Program. This CGD demonstration provides a framework that vendors can build upon to demonstrate the applicability of the SAS4A/SASSYS-1 software for licensing a sodium-cooled pool-type fast reactor.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Continuous method for preparing carbonate esters

In one embodiment, a continuous process for preparing organic carbonate solvent of Formula (I) as described herein comprises contacting a first reactant (an alcohol) with a reactive carbonyl source (carbonyldiimidazole (CDI) or an alkylchloroformate) in the presence of a catalyst in reaction stream flowing through a continuous flow reactor at temperature 20° C. to about 160° C. and at a flow rate providing a residence time in the range of about 0.1 minute to about 24 hours; collecting a reactor effluent exiting from the continuous flow reactor; recovering a crude product from the reactor effluent; and distilling the crude product to obtain the organic carbonate compound of Formula (I). In another embodiment, the first reactant is an epoxide and the carbonyl source is carbon dioxide.

Dzwiniel, Trevor L.↗