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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Arsenic stabilization performance of a novel starch-modified Fe-Mn binary oxide colloid

Arsenic (As) is an environmentally hazardous contaminant and can be a serious threat to human health. In China, remediation needs for a large number of As-contaminated sites renders a strong demand for efficient remedial reagents and cost effective approaches. In this study, a novel starch-modified Fe-Mn binary oxide (SFM), an amorphous colloidal material, has been synthesized as a remedial reagent and its As stabilization performance has been evaluated. A set of laboratory batch experiments were carried out by directly adding SFM of different dosages into three contaminated soils. Results demonstrated that SFM could transform As in soil from non-specifically and specifically sorbed fractions to the more stable form bounded to amorphous iron hydrous oxides, thus reducing the As concentration in TCLP leachates by 42.0-93.2%. Results from adsorption tests and microscopic analysis indicated that the interactions between SFM and As are mainly controlled by adsorption, oxidation, and precipitation processes. SFM has abundant surface hydroxyl groups, with excellent adsorption properties for both As(V) and As(III), with the maximum adsorption capacities of 160.63 and 284.64 mg/g respectively at pH 7.0. The adsorption process closely fitted pseudo second-order kinetics and Freundlich isotherm model. SFM could increase soil Eh and oxidize As(III) to As(V), which facilitated the As stabilization in soilColloidal iron-based material directly used for stabilization in As contaminated soils is reported here for the first time. Starch modification improves both the reactivity and mobility of SFM in soil. Our findings propose an efficient and convenient reagent for As remediation in soil.

Yan, Xiulan↗
DOE OSTI2026

Microwave-Assisted Plastic Upcycling: Dynamic Data Reconciliation, Parameter Estimation, and Kinetic Modeling

Microwave (MW)-assisted catalytic pyrolysis offers a promising pathway for efficient plastic upcycling. This work develops an integrated modeling framework combining dynamic data reconciliation, a temperature-dependent rate model, and a yield model to represent the time-varying production rate of components in MW-assisted LDPE pyrolysis conducted in a batch reactor. An Arrhenius-type rate model with a temperature-dependent reaction order is developed. A biexponential correlation is proposed for the yield of gaseous products that enables to capture the evolving product formation behavior during conversion. In the yield correlation, one term is used to represent the initial increase in yield, reflecting the rapid formation of intermediate or primary products at the early stages of the reaction when a larger fraction of the reactant remains available. As conversion progresses, the influence of this term gradually diminishes. The other term accounts for the subsequent decrease in the predicted yield, representing secondary reactions such as further cracking or coke formation that reduce the concentration of certain products at higher conversion. The model is found to accurately represent reconciled experimental flow rate profiles from an in-house MW-assisted catalytic batch reactor for major products, including ethylene, ethane, 1-butene, and benzene, across 250−350 °C. Ethylene remains the dominant product but decreases from about 41.95% at 250 °C to 30.14% at 350 °C, while heavier products increase significantly, with 1-butene rising to nearly 8.37% and benzene reaching 2.17% at intermediate temperatures. The model shows that the ethylene production rate can be maximized at around 270 °C. The models developed in this work can be utilized for process optimization, reactor design and scale-up of microwave-assisted plastic conversion technologies, and economic analysis.

Damahe, Harish [West Virginia Univ., Morgantown, W↗
DOE OSTI2019

Two Experimental Protocols for Accurate Measurement of Gas Component Uptake and Production Rates in Bioconversion Processes

Abstract Bioconversion processes offer many economic, environmental, and societal advantages for production of fuels and chemicals. Successful commercialization of any biotechnology usually requires accurate characterization of cell growth dynamics, substrate conversion and production excretion rates. Despite recent advancements in analytical equipment, obtaining accurate measurement of gas component uptake or production rates remains challenging due to their high sensitivity to system pressure or volume changes. Specifically, the consumption and production of various gases will result in changes in system pressure (for batch operations) or off-gas flow rate (for continuous operations). These changes would cause significant errors in the estimated gas component uptake and production rates if they were not accounted for. In this work, we propose two easy-to-implement experimental protocols and associated calculation procedures to obtain accurate measurements of gas component consumption and production rates; one is for batch operation and one is for continuous operation. For depressurized ( i . e ., system pressure below 1 atm) batch cultures, nitrogen (or other inert gases) is used to repressurize the system to 1 atm before taking sample; while for continuous cultures, He (or other inert gases) is used as an internal tracer to accurately measure off-gas flow rate. The effectiveness and accuracy of the two protocols and associated calculation procedures are demonstrated using several case studies with both abiotic and biotic systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

The Effect of Glass Chemistry on Caesium Volatility

The UK currently has 99,000 m3 of intermediate level waste (ILW). The current preferred treatment route is cementation. However, thermal treatment could offer a better long term option due to higher waste loading and lower storage costs. This project will focus on volatile retention in the vitrification process to make thermal treatment a more viable option. A series of iron phosphate base glasses were prepared with the nominal molar composition xM{sub y}O{sub z}(40 - x)Fe{sub 2}O{sub 3}-P{sub 2}O{sub 5} (M{sub y}O{sub z} = B{sub 2}O{sub 3}, MnO, ZnO with x = 5%). Samples are given names of the form IPG-1-X5 where X = B, Mn or Zn. For all batches, reagents were weighed and mechanically mixed to produce 150 g of glass. melted at 1150 deg. C for 3 h, Samples were immediately transferred to an annealing furnace and annealed at 450 deg. C for 1 h before being cooled to room temperature at 1 deg. C min{sup -1}. 75 g batches was produced with a target of 2 wt.% caesium oxide. Each batch was placed into a mullite crucible and placed in the sealed system seen below. Each canister was placed into a top-loading resistance furnace and ramped to 950 deg. C at a rate of 3 deg. C min{sup -1} under a nitrogen atmosphere with a flowrate of ∼0.9 L min{sup -1}. The samples were held at this temperature for 3 h before power to the furnace was removed and the system allowed to cool naturally. Once cool, the steel canister was opened and the entire apparatus (steel canister, mullite crucible and tubing) was washed through with ∼50 ml of 0.5 M HNO{sub 3} to allow for a complete mass balance of the caesium species. A series of Iron Phosphate glasses have been produced and characterised to investigate the influence of glass chemistry on the volatility of caesium. All glasses were doped with ∼2 wt.% Cs{sub 2}O and re-melted at 950 deg. C for 3 hours in a specially designed furnace set-up. Results of these experiments showed that the addition of 5 mol. % ZnO greatly increased the retention of Cs{sub 2}O whilst B{sub 2}O{sub 3} was detrimental to the Cs{sub 2}O retention. A series of iron phosphate based glasses have been produced with 5 mol.% additions of B{sub 2}O{sub 3}, MnO and ZnO, substituted in place of Fe{sub 2}O{sub 3}. All samples were analysed before and after being doped and re-melted with a 2 wt.% addition of Cs{sub 2}O. The effect of each additive on the base glass has been reported showing that both B{sub 2}O{sub 3} and ZnO increase the glass transition temperature, whilst MnO additions decrease the thermal stability of the glass. The Q-speciation of the glasses was investigated, and the results showed that the additives did not significantly influence the Q-speciation in comparison to the base glass. It has been shown that the addition of ZnO dramatically increases the retention of Cs during re-melting by almost a factor of 10 in comparison to the base glass, whilst the addition of MnO addition increased the caesium retention but only by a factor of ∼3. The addition of B{sub 2}O{sub 3} had a detrimental effect on the volatility in comparison to the 40Fe{sub 2}O{sub 3}-60P{sub 2}O{sub 5} base glass.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Dynamic Distribution of High-Rate Data Processing from CERN to Remote HPC Data Centers

The prompt reconstruction of the data recorded from the Large Hadron Collider (LHC) detectors has always been addressed by dedicated resources at the CERN Tier-0. Such workloads come in spikes due to the nature of the operation of the accelerator and in special high load occasions experiments have commissioned methods to distribute (spill-over) a fraction of the load to sites outside CERN. The present work demonstrates a new way of supporting the Tier-0 environment by provisioning resources elastically for such spilled-over workflows onto the Piz Daint Supercomputer at CSCS. Furthermore, this is implemented using containers, tuning the existing batch scheduler and reinforcing the scratch file system, while still using standard Grid middleware. ATLAS, CMS and CSCS have jointly run selected prompt data reconstruction on up to several thousand cores on Piz Daint into a shared environment, thereby probing the viability of the CSCS high performance computer site as on demand extension of the CERN Tier-0, which could play a role in addressing the future LHC computing challenges for the high luminosity LHC.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Iron Phosphate Glass for Vitrifying Hanford AZ102 LAW in Joule Heated and Cold Crucible Induction Melters - 12240

An iron phosphate composition for vitrifying a high sulfate (∼17 wt%) and high alkali (∼80 wt%) Hanford low activity waste (LAW), known as AZ-102 LAW, has been developed for processing in a Joule Heated Melter (JHM) or a Cold Crucible Induction Melter (CCIM). This composition produced a glass waste form, designated as MS26AZ102F-2, with a waste loading of 26 wt% of the AZ-102 which corresponded to a total alkali and sulfate (represented as SO{sub 3}) content of 21 and 4.4 wt%, respectively. A slurry (7 M Na{sup +}) of MS26AZ102F-2 simulant was melted continuously at temperatures between 1030 and 1090 deg. C for 10 days in a small JHM at PNNL and for 70 hours in a CCIM at INL. The as-cast glasses produced in both melters and in trial laboratory experiments along with their canister centerline cooled (CCC) counterparts met the requirements for the Product Consistency Test (PCT) and the Vapor Hydration Test (VHT) responses in the Hanford Tank Waste Treatment and Immobilization Plant (WTP) Contract. These glass waste forms retained up to 77 % of the SO{sub 3} (3.3 wt%), 100% of the Cesium, and 33 to 44% of the rhenium (used as a surrogate for Tc) all of which either exceeded or were comparable to the retention limit for these species in borosilicate glass nuclear waste form. Analyses of commercial K-3 refractory lining and the Inconel 693 metal electrodes used in JHM indicated only minimum corrosion of these components by the iron phosphate glass. This is the first time that an iron phosphate composition was melted continuously in a slurry fed JHM and in the US, thereby, demonstrating that iron phosphate glasses can be used as alternative hosts for vitrifying nuclear waste. The following conclusions are drawn from the results of the present work. (1) An iron phosphate composition, designated as MS26AZ102F-2, containing 26 wt% of the simulated high sulfate (17 wt%), high alkali (80 wt%) Hanford AZ-102 LAW meets all the criteria for processing in a JHM and CCIM. This composition produces a homogeneous glass with a density of 2.80 ± 0.04 g/cm{sup 3} after melting between 1000 and 1050 deg. C for 3 to 5 h. (2) This is the first time that an iron phosphate glass was melted in the JHM continuously for 10 days achieving a specific melting rate of 1010 kg/m2/day and in the CCIM for 70 hrs with a melting rate of 664 kg/m{sup 2}/day. (3) The analyzed (ICP-AES) compositions for all the glasses prepared under several melting conditions are in excellent agreement with the target composition. The variation of melting conditions include: (i) use of small scale/short melting time to large scale/long melting time (300 g to 80 kg, 4 h to 10 days) operations including melting in the JHM and CCIM, (ii) use of dry or wet (slurry) melter feed, (iii) addition of reductant (sugar) in the batch, and (iv) bubbling the melt with air. (4) The chemical durability as measured by PCT and VHT for the quenched and CCC-treated waste forms prepared from laboratory, JHM or CCIM melting exceeds the DOE requirements for LAW. (5) Depending upon the melting time (4 h to 10 days), the average concentration of SO{sub 3} in the MS26AZ102F-2 iron phosphate glass waste form varies from about 1.78 (RSM) to 3.74 (laboratory melt) wt% which corresponds to an SO{sub 3} retention of 41 to 86% when melted between 1030 at 1050 deg. C in air. (6) The retention of SO{sub 3} in the glass was reduced when a reductant (sugar) was added to the slurry. (7) The retention of other problem components like Cesium and Rhenium/Tc-99 is also high; from 92 to 100% for Cs{sub 2}O under different melting conditions, and from 66 to 33% for Re{sub 2}O{sub 7} for melts processed from 3 to 5 hours and up to 10 days. (8) Corrosion tests on Inconel 693 and K-3 refractory at temperatures between 1000 and 1050 deg. C indicate that both materials should be suitable for melting iron phosphate glasses. (9) The viscosity and electrical conductivity of the MS26AZ102F-2 melt are within the acceptable limits for RSM and CCIM processing. (10)This work has shown that iron phosphate compositions are a potential alternative to borosilicate glasses for vitrifying problematic wastes such as Hanford AZ-102 LAW that contains high amounts sulfate and alkali oxides, and that iron phosphate melts such as MS26AZ102F-2 can be processed in the JHM or CCIM. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

The solvent extraction of Am(VI) using centrifugal contactors

One of the major challenges in nuclear fuel cycle research is the development of a separation that can be deployed on a process scale for americium from the lanthanides. Unlike most lanthanides, americium can be oxidized to higher oxidation states, and this presents an opportunity to exploit high valent americium for such a separation. Strong oxidizing agents are required. However, the preparation of hexavalent americium using sodium bismuthate has now become routine in our laboratory. The success of separations based on oxidized americium depends on not only the yield of the higher oxidation state, but also its persistence in solution. In batch contact work, short contact times allowed for the extraction of Am(VI) with DAm ~ 4, using 1 M diamylamylphosphonate as the ligand. Based on bench-scale extraction and stripping studies a flowsheet was designed and a hot test was performed in a radiological fume hood using three CINC, 5-cm centrifugal contactors. Stage 1 was the americium extraction stage. In stage 2, americium stripping was attempted after reduction with a low concentration of hydrogen peroxide. As the only lanthanide that oxidizies and extracts in this flowsheet, it was attempted to reduce and strip cerium in the third stage contactor. The results of this hot test are compared with batch extraction studies, where it was found that americium extraction was comparable to batch contacts, while stripping was less efficient than expected. Proposals for the next test are discussed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Core design and performance of the Westinghouse lead fast reactor with UO 2 and MOX configurations

For this work, Westinghouse partnered with Argonne National Laboratory to design, model and optimize UO 2 - and MOX-fueled core designs for a medium size (950 MWt) Lead Fast Reactor that was pursued by Westinghouse. Using Argonne’s suite of reactor analysis codes together with Westinghouse fuel cost economic models, thousands of candidate cores were considered to achieve the economics-optimized cores presented in this paper. This optimization process considered detailed reactor physics, fuel performance, transient performance, and fuel economics models. The reactor performance of the resulting optimized UO 2 - and MOX-fueled core designs are described and compared in this paper. Both cores show fuel performance and transient behavior that is considered acceptable for the optimization presented herein, while further testing campaigns on material performance in high-temperature liquid lead will be required to confirm acceptability at the operating conditions chosen. A multi-batch strategy was selected for the UO 2 core for best fuel utilization with minimum fuel inventory costs. A single-batch fuel management was instead selected for the MOX core to maximize cycle length and minimize the impact of the longer refueling outage resulting from the higher decay heat of the discharged MOX fuel relative to the discharged UO 2 fuel, requiring a longer cooling time before dry-lift of discharged fuel could take place.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

An Advanced TALSPEAK Concept for Separating Minor Actinides. Part 2. Flowsheet Test with Actinide-spiked Simulant

A solvent extraction system has been developed for separating trivalent actinides from lanthanides. This “Advanced TALSPEAK” system uses 2-ethylhexylphosphonic acid mono-2-ethylhexyl ester to extract the lanthanides into a n-dodecane-based solvent phase, while the actinides are retained in a citrate-buffered aqueous phase by complexation to N-(2-hydroxyethyl)ethylenediamine-N,N',N'-triacetic acid. Batch distribution measurements indicate that the separation of americium from the light lanthanides decreases as the pH decreases. For example, the separation factor between La and Am increases from 2.5 at pH 2.0 to 19.3 at pH 3.0. However, previous investigations indicated that the extraction rates for the heavier lanthanides decrease with increasing pH. So, a balance between these two competing effects is required. An aqueous phase in which the pH was set at 2.6 was chosen for further process development because this offered optimal separation, with a minimum separation factor of ~8.4, based on the separation between La and Am. Centrifugal contactor single-stage efficiencies were measured to characterize the performance of the system under flow conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Extraction-Scrub-Strip test results from the interim Salt Disposition Program Macrobatch 9 Tank 21H qualification samples

Savannah River National Laboratory (SRNL) analyzed samples from Tank 21H in support of qualification of Macrobatch (Salt Batch) 9 for the Interim Salt Disposition Program (ISDP). The Salt Batch 9 characterization results were previously reported. An Extraction-Scrub-Strip (ESS) test was performed to determine cesium distribution ratios (D (Cs) ) and cesium concentration in the strip effluent and decontaminated salt solution (DSS) streams; this data will be used by Tank Farm Engineering to project a cesium decontamination factor (DF). This test used actual Tank 21H material, and a blend solvent prepared by SRNL that mimics the solvent composition currently being used at the Modular Caustic-Side Solvent Extraction Unit (MCU). The ESS test showed acceptable performance with an extraction D (Cs) value of 52.4. This value is consistent with results from previous salt batch ESS tests using similar solvent formulations. This compares well against the predicted value of 56.5 from a recently created D (Cs) model

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Atmospheric Humidity Underlies Irreproducibility of Formamidinium Lead Iodide Perovskites

Metal halide perovskite solar cells (PSCs) are infamous for their batch-to-batch and lab-to-lab irreproducibility in terms of stability and performance. Reproducible fabrication of PSCs is a critical requirement for market viability and practical commercialization. PSC irreproducibility plagues all levels of the community; from institutional research laboratories, start-up companies, to large established corporations. Here, in this work, the critical function of atmospheric humidity to regulate the crystallization and stabilization of formamidinium lead triiodide (FAPbI 3 ) perovskites is unraveled. It is demonstrated that the humidity content during processing induces profound variations in perovskite stoichiometry, thermodynamic stability, and optoelectronic quality. Almost counterintuitively, it is shown that the presence of humidity is perhaps indispensable to reproduce phase-stable and efficient FAPbI 3 -based PSCs.

14 SOLAR ENERGY↗
DOE OSTI2017

Modeling residence-time distribution in horizontal screw hydrolysis reactors

The dilute-acid thermochemical hydrolysis step used in the production of liquid fuels from lignocellulosic biomass requires precise residence-time control to achieve high monomeric sugar yields. Difficulty has been encountered reproducing residence times and yields when small batch reaction conditions are scaled up to larger pilot-scale horizontal auger-tube type continuous reactors. A commonly used naive model estimated residence times of 6.2-16.7 min, but measured mean times were actually 1.4-2.2 the estimates. Here, this study investigated how reactor residence-time distribution (RTD) is affected by reactor characteristics and operational conditions, and developed a method to accurately predict the RTD based on key parameters. Screw speed, reactor physical dimensions, throughput rate, and process material density were identified as major factors affecting both the mean and standard deviation of RTDs. The general shape of RTDs was consistent with a constant value determined for skewness. The Peclet number quantified reactor plug-flow performance, which ranged between 20 and 357.

09 BIOMASS FUELS↗
DOE OSTI2015

Effectiveness of mineral soil to adsorb the natural occurring radioactive material (norm), uranium and thorium

A study has been performed on U-soil and Th-soil adsorption of three types of soil collected from Selangor State of Malaysia which are Saujana Putra, Bukit Changgang and Jenderam Hilir. In this study, natural radionuclide (U and Th) soil adsorption based on batch experiments with various initial concentrations of the radionuclide elements were carried out. Parameters that were set constant include pH at 5;amount of soil used was 5 g each, contact time was 24 hour and different initial concentration for each solution of U and Th which is 5 mg/L, 10 mg/L, 15 mg/L, 20 mg/L, 25 mg/L and 40 mg/L were used. The K{sub d} values for each type of soil were determined in this batch experiments which was based on US-EPA method, in order to estimate adsorption capacity of the soil.The K{sub d} values of Th found higher than Kd values of U for all of the soil samples, and the highest was found on the soil collected from Bukit Changgang. The soil clay content was one of factors to influence the adsorption of both U and Th from dilute initial solution. The U-soil and Th-soil adsorption process for all the soil samples studied are generally obeying unimolecular layer Langmuir isotherm model. From Langmuir isotherm, the maximum adsorption capacity for U was 0.393mg/g and for Th was 1.53 mg/g for the soil that was taken from Bukit Changgang. From the study, it suggested that the soil from Bukit Changgang applicable as potential enhanced barrier for site disposing waste containing U and Th.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Cesium Ion Exchange Testing Using Crystalline Silicotitanate with Hanford Tank Waste 241-AP-107

The Low-Activity Waste Pretreatment System (LAWPS) provides for the early production of immobilized low-activity waste by feeding Hanford tank supernate from tank farms to the Hanford Tank Waste Treatment and Immobilization Plant (WTP) Low-Activity Waste (LAW) Facility for immobilization. Washington River Protection Solutions requested that Hanford tank waste collected from tank 241-AP-107 (hereafter called AP-107) be processed using conceived pretreatment steps (suspended solids removal by filtration, Cs removal by ion exchange) then vitrified. A small-scale test platform to demonstrate the solids filtration, Cs removal, and LAW vitrification was constructed and installed at the Pacific Northwest National Laboratory. Bench-scale ion exchange testing with approximately 9 L of AP-107 supernate was conducted using crystalline silicotitanate (CST) ion exchange media. The IONSIV R9140-B CST was provided by Honeywell UOP, LLC in 2018 (Batch 2081000057). The ion exchange media was first tested with simulant and was previously described. This report describes the Cs ion exchange batch contact and column test results with the AP-107 tank waste.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Impact of Cr and Co on 99Tc retention in magnetite: A combined study of ab initio molecular dynamics and experiments

This work explores the effect of co-mingled dopants, Co(II) and Cr(III), on Tc(IV) incorporation and retention in magnetite when heat treated to 625 or 700 °C. Key trends in Tc retention in the high temperature regime were identified using a combination of density-functional-theory based ab initio molecular dynamics (AIMD) simulations, and batch experiments including solid phase characterization techniques, e.g. X-ray absorption spectroscopy. A stabilizing effect on Tc(IV) was observed when the number of Tc and Cr atoms are equal or when the magnetite surface is oversaturated with Tc and Cr inclusions. Here, oversaturation is hypothesized to force Cr from the magnetite surface to form a Cr2O3 phase, which may act as a protective layer that prevents Tc release. With the addition of Co, Tc(IV) is stabilized via redox processes. The presence of Cr in low concentrations interferes with this redox stabilization and Cr is preferentially stabilized as opposed to Tc. As a result, using Co as a stabilizing dopant for Tc may be compromised in the presence of Cr. When the relative concentration of Tc, Cr and Co is the same, or more Co atoms are added to high Cr incorporated systems, the formation of the Cr2O3 phase may be suppressed. Although waste streams with co-mingled Tc and Cr potentially may benefit from a Co dopant, since the formation of a Cr2O3 passivation layer may protect incorporated Tc from being released, the relative concentration of the three elements will be a critical parameter for maximizing effectiveness of this strategy.

Lee, Mal Soon↗
DOE OSTI2020

Quality Assurance methodology for the ATLAS Inner Tracker strip sensor production

The production of the strip sensors for the ATLAS Inner Tracker (ITk) will start in 2020. Nearly 22,000 large area sensors will be produced over a period of about five years by Hamamatsu Photonics K.K. (HPK). The institutes involved in the sensor development and production are committed to deliver and maintain the highest quality sensors for the experiment. A Quality Assurance (QA) strategy has been prepared to be carried out during the whole production period. Once the process has been characterized as providing the required pre-irradiation specifications and the proper radiation hardness, the onus is on the manufacturer to rigidly stick to that qualified process. Still, sample testing with specific device-element structures and irradiation of devices should be implemented by the ITk sensor collaboration. A detailed irradiation and testing plan has been prepared by the ATLAS-ITk Collaboration, together with a newly designed test chip with specific structures to monitor different key technological and device parameters during the whole production. The tests and irradiations will be carried out on a sample basis. In order to have a practical methodology, samples from alternating batches will be sent for irradiations with protons, neutrons and gammas, and then tested in order to check that the characteristics remain within specifications. Here we present the detailed plan and the design and test methods for the structures in the test chip.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

PRISMA: PARALLEL REFINEMENT AND INTEGRATION SYSTEM FOR MULTI-AZIMUTHAL ANALYSIS

The Parallel Refinement and Integration System for Multi-azimuthal Analysis (PRISMA, version 1.1.0) is a Python application for processing X-ray diffraction (XRD) image data. PRISMA wraps GSAS-II to perform azimuthally-binned peak refinement, computes per-frame strain and d-spacing from those fits, and provides three PyQt5 graphical interfaces: (1) a Recipe Builder for selecting GSAS-II control (.imctrl) files, optional mask (.immask) files or threshold-ased masking, reference and experiment image sets, peaks, zimuthal range and bin size, and an optional ceria-based auto-calibration; (2) a Batch Processor that uses Dask on local workstations and pure MPI (mpi4py.futures.MPICommExecutor) on HPC to distribute GSAS-II refinement across cores or compute nodes and write results to a 4-dimensional (peaks x frames x azimuths x measurements) Zarr dataset; and (3) a Data Analyzer that renders heatmaps of fit parameters, strain, frame-to-frame deltas, and percent-change-vs-reference, and exports user-defined subsections to CSV or Excel. The peak-refinement algorithm is deterministic. Benchmark on ALCF Crux: a 20,000-image set, single-peak fit in frame mode with 44 azimuthal bins on 128 nodes x 128 workers, 48 seconds total wall time.

Lorenzo Martin, Maria De La Cinta [Argonne Nationa↗
DOE OSTI2014

Data Assimilation - Advances and Applications

This presentation provides an overview of data assimilation (model calibration) for complex computer experiments. Calibration refers to the process of probabilistically constraining uncertain physics/engineering model inputs to be consistent with observed experimental data. An initial probability distribution for these parameters is updated using the experimental information. Utilization of surrogate models and empirical adjustment for model form error in code calibration form the basis for the statistical methodology considered. The role of probabilistic code calibration in supporting code validation is discussed. Incorporation of model form uncertainty in rigorous uncertainty quantification (UQ) analyses is also addressed. Design criteria used within a batch sequential design algorithm are introduced for efficiently achieving predictive maturity and improved code calibration. Predictive maturity refers to obtaining stable predictive inference with calibrated computer codes. These approaches allow for augmentation of initial experiment designs for collecting new physical data. A standard framework for data assimilation is presented and techniques for updating the posterior distribution of the state variables based on particle filtering and the ensemble Kalman filter are introduced.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗