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At least 1,729 records · Page 96

Hydrogen production from full-strength corn stover fermentation effluent in single-chamber replaceable-cathode microbial electrolysis cells

Lignocellulosic residual biomass generated by the agricultural sector is an abundant feedstock for biohydrogen production via dark fermentation. However, this process is intrinsically inefficient, converting only ~30% of the reductant energy into H2 and leaving substantial amounts of reduced byproducts. These byproducts, mostly found in the fermentation effluents, can be further valorized in microbial electrolysis cells (MECs) to enhance the overall H2 recovery. However, current MEC configurations are typically dual- or single-chamber systems, yet both suffer from key inefficiencies. Dual-chamber systems rely on proton exchange membranes that are costly and prone to rapid biofouling, whereas single-chamber, membraneless systems are limited by reduced productivity due to H2 recycling and methanogenic consumption In this study, three single-chamber, 50-mL replaceable-cathode microbial electrolysis cells (RC-MECs) were 3D-printed and equipped with a physical separator to isolate anode and cathode compartments and limit H2 migration. Full-strength milled corn stover (MCS) fermentation effluent (COD of ~23.8 g-COD/L) was treated in fed-batch mode over two operational periods spanning 21 (Run 1) and 80 (Run 2) days. The RC-MECs exhibited comparable performance in both runs: after biofilm maturation, current densities exceeded 100 A/m²_cathode, COD removal reached up to 43%. Notably, extended RC-MECs operation led to a substantial methanogenic activity with the CH4 fraction in the cathode gas increasing to as high as 80% of the total biogas. Additions of a methanogenesis inhibitor 2-bromoethanesulfonate (2-BES) produced transient increases in hydrogen yields (11.51 and 5.12 L-H2/L_reactor/day in Runs 1 and 2, respectively); however, sustained 2-BES addition in subsequent cycles reduced total biogas production, decreased COD removal, and led to volatile fatty acid accumulation. Overall, single-chamber MECs can treat high-strength dark fermentation effluents while improving H2 recovery, but methanogenesis remains a key bottleneck, and complete long-term inhibition may be operationally unsustainable.

Hydrogen Production↗

Selective sulfur removal from semi-dry flue gas desulfurization coal fly ash for concrete and carbon dioxide capture applications

High-sulfur mixed fly ash residues from semi-dry flue gas desulfurization units in coal-fired power plants are unsuitable for use as supplementary cementitious material (SCM) for concrete production or carbon dioxide utilization. In this work, we explore the potential for upcycling a representative spray dry absorber ash (10.44 wt% SO 3 ) into concrete-SCM by selective sulfur removal via weak acid dissolution while simultaneously exploring the possibility for CO 2 capture. Towards this effort, parametric studies varying liquid-to-solid ratio, acidity, and CO 2 pressure were conducted in a batch reactor to establish the sulfur removal characteristics in de-ionized water, nitric acid, and carbonic acid, respectively. The dissolution studies show that the leaching of sulfur from calcium sulfite hemihydrate, which is the predominant S phase, is rapid and achieves a concentration plateau within 5 min, and subsequently, appears to be controlled by the primary mineral solubility. Here, preferential S removal was sufficient to meet SCM standards (e.g., 5.0 wt% as per ASTM C618) using all three washing solutions with 0.62–0.72 selectivity (S^), defined as the molar ratio of S to Ca in the leachate, for a raw fly ash with bulk S^ = 0.3. Acid dissolution with 1.43 meq/g of ash or under 5 atm CO 2 retained > 18 wt% CaO and other Si-, Al-rich phases in the fly ash. Based on the experimental findings, two sulfur removal schemes were suggested for either integration with CO 2 capture and utilization processes using flue gas or to produce fly ash for use as a SCM.

01 COAL, LIGNITE, AND PEAT↗

INTEGRATION OF PANDA WORKLOAD MANAGEMENT SYSTEM WITH SUPERCOMPUTERS

Abstract The Large Hadron Collider (LHC), operating at the international CERN Laboratory in Geneva, Switzerland, is leading Big Data driven scientific explorations. Experiments at the LHC explore the funda- mental nature of matter and the basic forces that shape our universe, and were recently credited for the dis- covery of a Higgs boson. ATLAS, one of the largest collaborations ever assembled in the sciences, is at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, the ATLAS experiment is relying on a heterogeneous distributed computational infrastructure. The ATLAS experiment uses PanDA (Production and Data Analysis) Workload Management System for managing the workflow for all data processing on over 140 data centers. Through PanDA, ATLAS physicists see a single computing facility that enables rapid scientific breakthroughs for the experiment, even though the data cen- ters are physically scattered all over the world. While PanDA currently uses more than 250000 cores with a peak performance of 0.3+ petaFLOPS, next LHC data taking runs will require more resources than Grid computing can possibly provide. To alleviate these challenges, LHC experiments are engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. We will describe a project aimed at integration of PanDA WMS with supercomputers in United States, Europe and Russia (in particular with Titan supercomputer at Oak Ridge Leadership Com- puting Facility (OLCF), Supercomputer at the National Research Center Kurchatov Institute , IT4 in Ostrava, and others). The current approach utilizes a modified PanDA pilot framework for job submission to the supercomputers batch queues and local data management, with light-weight MPI wrappers to run single- threaded workloads in parallel on Titan s multi-core worker nodes. This implementation was tested with a variety of Monte-Carlo workloads on several supercomputing platforms. We will present our current accom- plishments in running PanDA WMS at supercomputers and demonstrate our ability to use PanDA as a portal independent of the computing facility s infrastructure for High Energy and Nuclear Physics, as well as other data-intensive science applications, such as bioinformatics and astro-particle physics.

De, K↗

Explicitly Accounting for Multiple Spatial Scales in Data Informing Kd Distribution Development - 18414

This work provides an example of incorporating information about spatial scale into input parameter distribution development for probabilistic performance assessment (PA) models and highlights the importance of having an interdisciplinary team working together in the distribution development process. The novel approach is demonstrated for contaminant partitioning coefficients for water/rock (Kds), providing a specific context for discussing the approach and challenges, but the strategy is general and applies to many other PA model inputs. In this example, a PA model of a radioactive waste disposal site is assumed to have large cells representing spatial scales of up to thousands of square meters in area and several to tens of meters in depth. Spatial variability in Kds is expected to occur at scales much smaller than the units in the model domain over which values are applied, and therefore values are intended to represent possible averages over the modeled volume (i.e., spatial scale represented by a PA model cell). Information about possible Kd values for each material category comes from a variety of literature sources, and the reported results used to inform the distribution are available at a wide range of scales (e.g., individual batch experiment results from small-scale samples, averages based on samples collected over site-scales, averages based on samples from large regions, etc.). Effectively addressing the mismatch in spatial scale between available information and the PA Model is a challenge within PA distribution development and it takes effort from database managers, subject matter experts, modelers, and statisticians. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

New generation NMR bioreactor coupled with high-resolution NMR spectroscopy leads to novel discoveries in Moorella thermoaceticum metabolic profiles

An in-situ nuclear magnetic resonance (NMR) bioreactor was developed and employed to monitor microbial metabolism under batch-growth conditions in real time. We selected Moorella thermoacetica ATCC 49707 as a test case. M. thermoacetica (formerly Clostridium thermoaceticum) is a strictly anaerobic, thermophilic, acetogenic, gram-positive bacterium with potential for industrial production of chemicals. The metabolic profiles of M. thermoacetica were characterized during growth in batch mode on xylose (a component of lignocellulosic biomass) using the new generation NMR bioreactor in combination with high-resolution, high sensitivity NMR (HR-NMR) spectroscopy. In-situ NMR measurements were performed using water-suppressed H-1 NMR spectroscopy at an NMR frequency of 500 MHz, and aliquots of the bioreactor contents were taken for 600 MHz HR-NMR spectroscopy at specific intervals to confirm metabolite identifications and expand metabolite coverage. M. thermoacetica demonstrated the metabolic potential to produce formate, ethanol and methanol from xylose, in addition to its known capability of producing acetic acid. Real-time monitoring of bioreactor conditions showed a temporary pH decrease, with a concomitant increase in formic acid during exponential growth. Fermentation experiments performed outside of the magnet showed that the strong magnetic field employed for NMR detection did not significantly affect cell metabolism. Use of the in-situ NMR bioreactor facilitated monitoring of the fermentation process in real time, enabling identification of intermediate and end-point metabolites and their correlation with pH and biomass produced during culture growth. Real-time monitoring of culture metabolism using the NMR bioreactor in combination with the HR-NMR spectroscopy will allow optimization of the metabolism of microorganisms producing valuable bioproducts.

Bioproducts↗

Integration Of PanDA Workload Management System With Supercomputers for ATLAS and Data Intensive Science

The Large Hadron Collider (LHC), operating at the international CERN Laboratory in Geneva, Switzerland, is leading Big Data driven scientific explorations. Experiments at the LHC explore the fundamental nature of matter and the basic forces that shape our universe, and were recently credited for the discovery of a Higgs boson. ATLAS, one of the largest collaborations ever assembled in the sciences, is at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, the ATLAS experiment is relying on a heterogeneous distributed computational infrastructure. The ATLAS experiment uses PanDA (Production and Data Analysis) Workload Management System for managing the workflow for all data processing on over 150 data centers. Through PanDA, ATLAS physicists see a single computing facility that enables rapid scientific breakthroughs for the experiment, even though the data centers are physically scattered all over the world. While PanDA currently uses more than 250,000 cores with a peak performance of 0.3 petaFLOPS, LHC data taking runs require more resources than Grid computing can possibly provide. To alleviate these challenges, LHC experiments are engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. We will describe a project aimed at integration of PanDA WMS with supercomputers in United States, Europe and Russia (in particular with Titan supercomputer at Oak Ridge Leadership Computing Facility (OLCF), MIRA supercomputer at Argonne Leadership Computing Facilities (ALCF), Supercomputer at the National Research Center Kurchatov Institute , IT4 in Ostrava and others). Current approach utilizes modified PanDA pilot framework for job submission to the supercomputers batch queues and local data management, with light-weight MPI wrappers to run single threaded workloads in parallel on LCFs multi-core worker nodes. This implementation was tested with a variety of Monte-Carlo workloads on several supercomputing platforms for ALICE and ATLAS experiments and it is in full production for the ATLAS experiment since September 2015. We will present our current accomplishments with running PanDA WMS at supercomputers and demonstrate our ability to use PanDA as a portal independent of the computing facilities infrastructure for High Energy and Nuclear Physics as well as other data-intensive science applications, such as bioinformatics and astro-particle physics.

Data-intensive science↗

Study of an Unrefined Humate Solution as a Possible Attenuation-based Remedy for Uranium Contamination in Acidic Groundwater - 20351

The Savannah River Site (SRS), joined the environmental cleanup program in 1981 after the Cold War, and was designated as a hazardous waste management facility. About 1.8 billion gallons of acid wastes were disposed into the F/H Area Seepage Basin that included many radionuclides and dissolved metals, resulting in highly contaminated groundwater plumes with pH of 3 - 5.5. The acidity of the plumes contributes to the mobility of several constituents of concern (COC) such as H-3, U-238, I-129, and Sr-90 for the F-Area plume and H-3, Sr-90 and mercury for the H-Area plume. An active treatment (pump-and-treat and re-injection) system was constructed and put in place in 1997 to address the removal of metals and radionuclides from the contaminated groundwater. As remediation projects advanced, active treatments were transitioned to more passive or enhanced-passive approaches such as the subsurface barrier with base injection system, which has been controlling the mobility of contaminants. However, new and more efficient attenuation-based remedies are always sought. Several studies have proposed that humic substances can be used to remediate sites contaminated with heavy metals by creating a permeable reactive barrier. Humic substances (HS) are major components of soil organic matter. HS are polyfunctional organic macromolecules formed by the chemo-microbiological decomposition of biomass or dead organic matter. These substances are usually divided into three main fractions: humin (insoluble at all pH values), humic acid (soluble at pH greater than 3.5), and fulvic acid (soluble at all pH values). Humic substances are major components of the soil at SRS and, in addition, are also helpful in the removal process of uranium. This research focuses on uranium (VI), which is a key contaminant of concern in the F-Area groundwater plume. The interaction of uranium with sediment in the presence or absence of humic substances involves complex mechanisms that are not yet well understood. The interaction of U(VI) with humic substances can affect the adsorption of U on sediment, altering its mobility in the subsurface. The objective of this study is to study the mobility of uranium in the presence of humic acid and to determine if sediments amended by humic acid can enhance the sorption of heavy metals onto sediments. In this research, experiments were conducted using background (clean) F-Area aquifer sediments to understand and predict uranium mobility. A blended material, humate, containing both humic and fulvic acids and a chemically modified humate (KW15 modified humic or mod-HA) was studied as a possible amendment for uranium remediation in SRS groundwater. Batch experiments were conducted in triplicates using 20 ml of aqueous suspension in DI water containing SRS sediment and mod-HA and studied the effect of pH, kinetics of humate sorption onto SRS sediment and also studied the sorption of uranium onto mod-HA amended SRS sediment. Results indicate that mod-HA amended sediment increases uranium removal significantly. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The attitude accuracy consequences of on-orbit calibration of the Extreme Ultraviolet Explorer attitude sensors by the Flight Dynamics Facility at Goddard Space Flight Center

The science mission of the Extreme Ultraviolet Explorer (EUVE) requires attitude solutions with uncertainties of 27, 16.7, 16.7 arcseconds (3 sigma) around the roll, pitch, and yaw axes, respectively. The primary input to the attitude determination process is provided by two NASA standard fixed-head star trackers (FHSTs) and a Teledyne dry rotor inertial reference unit (DRIRU) 2. The attitude determination requirements approach the limits attainable with the FHSTs and DRIRU. The Flight Dynamics Facility (FDF) at Goddard Space Flight Center (GSFC) designed and executed calibration procedures that far exceeded the extent and the data volume of any other FDF-supported mission. The techniques and results of this attempt to obtain attitude accuracies at the limit of sensor capability and the results of analysis of the factors that limit the attitude accuracy are the primary subjects of this paper. The success of the calibration effort is judged by the resulting measurement residuals and comparisons between ground- and onboard-determined attitudes. The FHST star position residuals have been reduced to less tha 4 arcsec per axis -- a value that appears to be limited by the sensor capabilities. The FDF ground system uses a batch least-squares estimator to determine attitude. The EUVE onboard computer (OBC) uses an extended Kalman filter. Currently, there are systematic differences between the two attitude solutions that occasionally exceed the mission requirements for 3 sigma attitude uncertainty. Attempts to understand and reduce these differences are continuing.

Hashmall, J.↗

Re-Examination of the N 2 O + O Reaction

The reaction of N 2 O with O is a key step in consumption of nitrous oxide in thermal processes. It has two product channels, NO + NO (R2) and N 2 + O 2 (R3). The rate constant for R2 has been measured both in the forward and the reverse direction at elevated temperature and is well established. However, the rate constant for the N 2 + O 2 channel (R3) has been difficult to quantify and has significant error limits. Here, the direct reaction on the triplet surface has a barrier of around 40 kcal mol –1 , and it is too slow for the N 2 + O 2 channel to have any practical significance. Recently, Pham and Lin (2022) suggested an alternative low activation energy reaction path that involves intersystem crossing and reaction on the singlet surface. In the present work, we re-examined a wide range of experiments relevant for the N 2 O + O reaction through kinetic modeling, paying attention to the impact of artifacts such as impurities and surface reactions. Experimental results from shock tubes and batch reactors on the final NO yield in N 2 O decomposition, covering temperatures of 973–2200 K and pressures of 0.013–11.5 atm, support k 3 ~ 0, consistent with the high activation energy for reaction on the triplet surface and a low probability of ISC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Navigating the Noise: Bringing Clarity to ML Parameterization Design With O $\boldsymbol{\mathcal{O}}$(100) Ensembles

Abstract Machine‐learning (ML) parameterizations of subgrid processes (here of turbulence, convection, and radiation) may one day replace conventional parameterizations by emulating high‐resolution physics without the cost of explicit simulation. However, uncertainty about the relationship between offline and online performance (i.e., when integrated with a large‐scale general circulation model) hinders their development. Much of this uncertainty stems from limited sampling of the noisy, emergent effects of upstream ML design decisions on downstream online hybrid simulation. Our work rectifies the sampling issue via the construction of a semi‐automated, end‐to‐end pipeline for size ensembles of hybrid simulations, revealing important nuances in how systematic reductions in offline error manifest in changes to online error and online stability. For example, removing dropout and switching from a Mean Squared Error to a Mean Absolute Error loss both reduce offline error, but they have opposite effects on online error and online stability. Other design decisions, like incorporating memory, converting moisture input from specific humidity to relative humidity, using batch normalization, and training on multiple climates do not come with any such compromises. Finally, we show that ensemble sizes of may be necessary to reliably detect causally relevant differences online. By enabling rapid online experimentation at scale, we can empirically settle debates regarding subgrid ML parameterization design that would have otherwise remained unresolved in the noise.

Lin, Jerry [Department of Earth System Sciences Un↗

Removal and recovery of ammonia from simulated wastewater using Ti3C2Tx MXene in flow electrode capacitive deionization

Abstract Flowing electrode capacitive deionization systems (FE-CDI) have recently garnered attention because of their ability to prevent cross contamination and operate in uninterrupted cycles ad infinitum. Typically, FE-CDI electrodes suffer from low conductivity, reducing deionization performance. Utilization of higher mass loadings to combat this leads to poor rheological properties. Herein, Ti 3 C 2 T x MXene was introduced as 1 mg mL −1 slurry electrodes in an FE-CDI system for the removal and recovery of ammonia from simulated agricultural wastewater. The electrode performance was evaluated by operating the FE-CDI system with a feed solution of 500 mg L −1 NH 4 Cl running in batch mode at a constant voltage of 1.20 and −1.20 V in charging and discharging modes, respectively. Despite the low loading, Ti 3 C 2 T x flowing electrodes showed markedly improved performance, achieving 60% ion removal efficiency in a saturation time of 115 min with an adsorption capacity of 460 mg g −1 . To understand the high adsorption performance of the electrodes, physiochemical and structural analysis was done via a variety of characterization techniques such as SEM, TEM, XRD, DLS, and Raman spectroscopy. Cyclic voltammetry and galvanostatic charge/discharge profiles were obtained to evaluate the electrochemical properties of the electrodes. The system proved to be an energy-saving technology by exhibiting a charge efficiency of 58–70% while operating at an energy consumption of 0.45 kWh kg −1 . A 92% regeneration efficiency showed that the electrodes were stable and suitable for long term and scalable usage. The results demonstrate that MXenes have the potential to improve the FE-CDI process for energy-efficient removal and recovery of ammonia.

36 MATERIALS SCIENCE↗

Solvent Hold Tank Sample Results for MCU-18-425- 427 (October 2018), MCU-18-459-460-461 (November 2018), and MCU-18-487-488-489 (December 2018) (Quarterly Report)

A trend summary of three Solvent Hold Tank (SHT) monthly samples MCU-18-425-426-427, MCU-18- 459-460-461 and MCU-18-487-488-489 are reported. Most of the conclusions are based on the December SHT sample (MCU-18-487-488-489). Analyses of the December SHT sample (MCU-18-487-488-489 indicated that the Modifier (Cs-7SB) and the extractant (MaxCalix) concentrations were below their nominal recommended concentrations (169,000 mg/L and 46,400 mg/L respectively) by 2% and 9% respectively. The suppressor (N,N’,N”–tris(3,7-dimethyloctyl)guanidine or TiDG) concentration has decreased since the October 2018 measurement (Modular Caustic-Side Solvent Extraction Unit or MCU resumed processing (from May through November 2018) to 528 mg/L, but it is above the minimum recommended concentration (479 mg/L). These new levels are consistent with the concentrations observed when MCU was fully operational in 2016. The Semi-Volatile Organic Analysis (SVOA) did not detect any impurities. However, the Fourier Transform Hydrogen Nuclear Magnetic Resonance (FT-HNMR) analysis detected presence of phthalates at a few ppm. The impurity concentration was highest in the October sample and consistently detected in the November and December samples (but always a few ppm or less). Another impurity observed in the samples was mercury. Based on the December SHT sample, up to 24 ± 5 micrograms of mercury per mL of solvent was detected (as the average of the Direct Mercury Analysis (DMA) and X-Ray Fluorescence (XRF) methods). The higher mercury concentration in the solvent (as determined in the last three-monthly samples) is possibly due to the higher mercury concentration in Salt Batches 9 and 10. The gamma concentration (~3.6E5 dpm/mL) measured in the December SHT samples was consistent with previous values observed when MCU was fully operational (for example, between December 2016 and January 2017) but it was lower than the April SHT measurement. The “dip” in the gamma measurement for the May 2018 SHT sample was due to an Isopar™ L addition to MCU during April and May 2018. The laboratory will continue to monitor the quality of the solvent for any new impurities or degradation of the solvent components.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Raw_data_Batch_I: Argonne to Shorewood via I-55

Date of collection: May 12, 2023 Location: Interstate 55, DuPage County, IL This data set contains lidar and vision data collected along a round trip between I-55 Exit 273A and Exit 253. The data contains the following Robot Operating System (ROS) topics: - /Central_Camera_blurred – Image flow from coaxial camera heading, vehicle front. - /Left_Camera_blurred – Image flow from left camera, 60° from central camera on the left side. - /Right_Camera_blurred – Image flow from right camera, 60° from central camera on the right side. - /camera0/camera_info – Intrinsic and distortion information of left camera. - /camera0/projection_matrix – Extrinsic matrix of left camera from lidar. - /camera2/camera_info – Intrinsic and distortion information of central camera. - /camera2/projection_matrix – Extrinsic matrix of central camera from lidar. - /camera5/camera_info – Intrinsic and distortion information of right camera. - /camera5/projection_matrix – Extrinsic matrix of right camera from lidar. - /novatel/oem7/bestpos – Latitude, longitude, and elevation information from NovAtel GNSS-INS system. - /points_raw – VLP-32 lidar point cloud. - /tf – Vehicle base frame. The data are organized into a data description file and one or more ROS .bag files, dependent on original file size. The data description file provides information about the data collection date, location, and detailed mapping, while the .bag file(s) contain the actual data. Please note that for the purpose of securing personally identifiable information, all license plates and faces included in this publication have been intentionally blurred during real-time processing. ![argonne shorewood image](argone-shorewood.png)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Volumetric Assessment of UPRITE Exercises From Marker-Based Motion Capture

BACKGROUND Lack of volumetric data on full-body movement of exercises presents a challenge to ensuring the fit of crew member’s full range of motion on the International Space Station (ISS). The Upright Proprioception Retention via In-flight Training and Evaluation (UPRITE) is a sensorimotor countermeasure device designed for maintaining crew members’ proprioception in a microgravity environment. A footplate—attached to a static base—rotates in two degrees of freedom (pitch and roll) up to a 20 deg angle. An initial volumetric assessment assuming an upright standing posture produced a cone-like shape with a narrow bottom and wide top. Such general volumetric assessments risk creating an overly conservative volume estimate, taking up more space than is necessary on the already limited interior space of the ISS, and neglecting necessary volume due to oversimplifying assumptions. Rather, higher-fidelity volumetric assessments offer more comprehensive insights in an environment where every area counts. The main objective of this work is to provide the spatial parameters of exercises on the UPRITE such that it is placed on the ISS according to its volumetric demands or that usage is adjusted to fit the available space. METHODS In 2023, a data collection was performed originally to inform loads and dynamics of system use and was recently leveraged for volumetric assessment. Three human subjects representing different body types (~63-76 inches in stature) performed a variety of board manipulations using UPRITE with body weight offload. The test collected the 3D positional data of a modified full-body Plug-in Gait marker set [1] via a 16-camera OptiTrack MoCap system. After processing – filling marker gaps and trimming data – in OptiTrack Motive, the recorded marker location data, which included device markers, was exported to a readable trajectory file. To accurately represent the full volume defining landmarks, additional markers were digitally added to an unscaled Modified Full Body Model [2]. The model was then scaled according to its subject parameters upon which an inverse kinematics analysis was performed. A custom plugin yielded model marker location data files. Volumetric analyses were performed on the recorded trajectory and model trajectory files using a custom Python-built tool that extracted the marker location data and plotted it in a 3D space. Concerned with only the maximum volume of the motion, a 3D convex hull analysis was applied to the plot, extracting the vertices or external points of the eventual 3D CAD output, dubbed aptly as a “volume shell”. This overall approach was based on guidance in a NASA-STD-3001 Technical Brief [3]. RESULTS AND DISCUSSION Batch volumetric assessment on the exercises for each subject was performed, producing high-fidelity volume shells in minimal time. Preliminary results highlighted the value in higher-fidelity volumes based on collected data when possible. For example, revolving a single posture in the cone assessment would not have sufficiently captured a single leg stance; rather, it would need to involve swinging the leg both forward and back. Additional observations and the maximal dimensions of the volumes, including those based on scaled data for ISS anthropometric requirements, will be presented at the Human Research Program Investigator’s Workshop. CONCLUSIONS While this work’s primary objective was for the UPRITE-to-ISS integration, the tool built to conduct this analysis has wide applications for future exercise systems as an informational tool for optimal device placement. The tool and its findings also have implications for exercise device design and spacecraft interior considerations on Gateway, the Lunar Pressurized Rover, and beyond. REFERENCES [1] Bell, C. A., et al. (2023) Recent Improvements and Verification of a Full Body Model in OpenSim. NASA Human Research Program Investigator’s Workshop. https://ntrs.nasa.gov/citations/20230001080 [2] Lostroscio, K., et al (2023) The Digital Astronaut Simulation. AHFE International Conference on Human Factors in Design, Engineering, and Computing for All. [3] Exercise Overview. (2023) NASA-STD-3001 Technical Brief. https://www.nasa.gov/wp-content/uploads/2023/12/ochmo-tb-031-exercise-overview.pdf?emrc=9d454c?emrc=9d454c

L D Quinto↗

Modeling a fast spectrum molten salt reactor in a systems dynamics fuel cycles code

Molten salt reactor (MSR) concepts are being actively developed by several private companies, with some touting the fuel cycle benefits of this technology. Simulating the deployment of MSRs and their effect on fuel cycle transitions is the role of a system dynamics fuel cycles tool. However, many current fuel cycles tools have difficulty modeling MSR isotopic variations because they were designed for modeling existing reactors based on discrete fuel elements with batch fueling schemes (i.e., charge and discharge). This work presents ORION fuel cycle modeling results using a specific high power density fast spectrum MSR design. For code verification, a single-stage MSR fuel cycle was set up in ORION and results were compared with the results from the SCALE-based reactor physics model (ChemTriton). A transition scenario was set up in ORION from the current light water reactor fleet to a future fleet of MSRs to study the characteristics of an MSR that affect its performance during transition. Several transition scenarios were set with holds and delays in place that are representative of a sodium fast reactor as modeled in Evaluation Group 23 for the Fuel Cycle Options Campaign Evaluation and Screening Study. Several MSR characteristics lend to its high performance and ease in transition from the current fuel cycle: fissile material is only loaded at initial startup; all fissile material is available as it is bred due to online fuel processing; and fissile material recirculating through the core is briefly held in tanks for processing and has very minimal out-of-core time (on the order of a minutes to a few days). These characteristics are in contrast to a solid-fueled reactor, which requires discharge, cooling, and fabrication of fuel all of which could take a few months to a few years and repeated loading of fresh fuel assemblies. In conclusion, a solid-fueled reactor only discharges a fraction of a core every year.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Design and simulation of the nuSTORM facility

This thesis provides a full design and simulation of the nuSTORM beam line facility including the pion beam line , the pion and muon orbit combination section, and the muon decay ring. The study also includes the development of numerical optimization methods and their application to the design. At nuSTORM, one proton batch from the Main Injector (MI) is extracted and transported to the target station to bombard a solid target. A magnetic horn is used as the collection device for the secondary particles such as pions and kaons. A pion beam line is designed to transport the secondary particles downstream to the muon decay ring. In order to avoid the use of a fast kicker with a large aperture for the injection, an Orbit Combination Section (OCS) was designed to combine the reference pion orbit with the circulating muon orbit. This ful lls the stochastic injection scheme proposed in the 1980s. It is shown through the simulation that the pion beam line is able to deliver 0.011 muons per proton on target within the acceptance of the ring. In order to improve the circulating muon ux, an optimization of the magnetic collection horn was studied. A Multi-Objective Genetic Algorithm (MOGA), that was modi ed to integrate Message Passing Interface (MPI) in the process, is applied to the optimization. The number of muons within the ring acceptance from the pion decay is estimated by the pions after the collection horn. This new method was proposed to lower the requirement on the computing resources for the optimization. The study gives a new and better target and horn con guration after a full investigation of the system. The nuSTORM ring is examined with two optics designs. With di erent features, the two designs are optimized via correcting the nonlinearities with sextupolar eld distribution in the ring. A modi ed MPI-based Simulated Annealing (SA) algorithm was applied to obtain the optimal ring acceptance. The comparison with the GA shows good agreements on the achieved optimal ring acceptance. The pion and muon beams at nuSTORM were simulated and yield avor-pure and precisely measurable neutrino beams, which can be used to provide a de nite statement about the existence of a sterile neutrino.

97 MATHEMATICS AND COMPUTING↗

Optimization of the dissolution of molybdenum disks. FY-16 results

Argonne National Laboratory is providing technical development assistance to NorthStar Medical Technologies LLC in its pursuit of two pathways for production of molybdenum-99: the 98 Mo(n,γ) 99 Mo reaction and the photonuclear reaction, 100 Mo(γ,n) 99 Mo. Processing of irradiated targets, from either production mode, requires dissolution of the target material in H 2 O 2 followed by a concentration step, addition of ferric ion to precipitate impurities, and conversion of the final solution to 5M potassium hydroxide solution of potassium molybdate. Currently, NorthStar is using pressed and sintered Mo disks as targets. Several options are being considered for the design of Mo targets for the production of 99 Mo using the (γ,n) reaction. In the current design, the target holder contains a series of sintered Mo disks lined up perpendicular to two incident electron beams, one entering from each side of the target stack. In this configuration, the front-most disks absorb most of the heat from the electron beam and need to be thinner to allow for better cooling, while the middle of the target can be thicker. Distribution of the total mass of Mo allows for larger masses of Mo material and thus larger production batches of 99 Mo. A limitation of the sintering approach is the production of very thin disks. Recent advances in 3D printing allow for much thinner target components can be achieved than when the traditional press-and-sinter approach is used. We have demonstrated that several factors can play important roles in dissolution behavior: particle size of Mo metal used for production of targets, sintering conditions, degree of open porosity, and thickness of the sintered Mo targets. Here we report experimental results from studies of small-scale dissolution of sintered Mo disks fabricated from various recycled and commercial Mo materials, and dissolution of 3D-printed Mo disks that were fabricated by Oak Ridge National Laboratory (ORNL). We also report on large-scale dissolution studies with 600 g batches of sintered Mo disks.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗