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At least 235 records · Page 13

Efficient Parallelization of Irregular Applications on GPU Architectures

With the enlarging computation capacity of general Graphics Processing Units (GPUs), leveraging GPUs to accelerate parallel applications has become a critical topic in academia and industry. However, a wide range of irregular applications with the computation-/memory-intensive nature cannot easily achieve high GPU utilization. The challenges mainly involve the following aspects: first, data dependence leads to coarse-grained kernel and inefficient parallelism; second, heavy GPU memory usage may cause frequent memory evictions and extra overhead of I/O; third, specific computation patterns produce memory redundancies; last, workload balance and data reusability conjunctly benefit the overall performance, but there may exist a dynamic trade-off between them. Targeting these challenges, this dissertation proposes multiple optimizations to accelerate two real-world applications: many-body correlation functions to simulate nuclear physics in a large-scale scientific system; the other is the eALS-based matrix factorization recommendation system. To accelerate the calculations of many-body correlation functions, this dissertation presents three frameworks in GPU memory management and multi-GPU scheduling. Firstly, an optimized systematic GPU memory management framework, MemHC, utilizes a series of new memory reduction designs in GPU memory allocation, CPU/GPU communications, and GPU memory oversubscription. Secondly, an enhanced multi-GPU scheduling framework, MICCO, particularly by taking both data dimension (e.g., data reuse and data eviction) and computation dimension into account. MICCO designs a heuristic scheduling algorithm and a machine learning-based regression model to generate the optimal settings of a proposed new concept to manage the trade-off. Thirdly, a locality-aware multi-GPU scheduling framework. This scheduler leverages pipeline batch generation with a looking-ahead strategy by building local dependency graphs for memory transfer reduction and better data reuse, achieving up to 79.92% memory cost reduction and 1.67x speedup. To parallelize the eALS-based recommendation system, this dissertation proposes an efficient CPU/GPU heterogeneous recommendation system, HEALS. HEALS employs newly designed architecture-adaptive data formats to achieve load balance and good data locality on CPU and GPU. To mitigate the data dependence, HEALS presents a CPU/GPU collaboration model for both task parallelism and data parallelism with multiple kernel computation optimizations. In summary, this dissertation efficiently accelerates two typical irregular applications on GPUs by building four frameworks, including CPU/GPU collaboration, GPU memory management, and multi-GPU scheduling.

Wang, Qihan↗

Numerical investigation of Lower Tuscaloosa Sandstone and Selma Chalk caprock under geological CO 2 sequestration conditions: mineral precipitation and permeability evolution

Abstract A numerical model was developed using CrunchFlow to simulate reactive transport and porosity and permeability changes of sandstone and carbonate rock samples taken from the Lower Tuscaloosa Formation and the Selma Chalk Formation, Jackson County, MS, USA. The model predicted a permeability decrease from 2190 mD to 2038 mD for the Lower Tuscaloosa Sandstone sample in a static batch reactor after 180 days of exposure to CO 2 ‐saturated brine, which is consistent with measured permeability results. The model predicted a negligible permeability change from 2.00 mD to 2.08 mD for the Selma Chalk carbonate sample after 180 days of exposure to CO 2 ‐saturated brine. Based on model prediction, key mineral dissolution and precipitation reactions in the Lower Tuscaloosa Sandstone sample include dissolution of quartz, chlorite, and feldspar, as well as precipitation of amorphous silica and kaolinite. For the Selma Chalk carbonate sample, key predicted reactions include dissolution of calcite, quartz and chlorite, and precipitation of kaolinite and amorphous silica. Initial porosity, initial feldspar content and the exponent n value (related to pore structure and tortuosity) used in permeability calculations were three important factors affecting permeability evolution of sandstone samples under CO 2 sequestration conditions. The small permeability change predicted for both the Lower Tuscaloosa Sandstone and the Selma Chalk caprock after exposure to CO 2 ‐saturated brine suggests that poro‐permeability changes during CO 2 injection into the Lower Tuscaloosa Formation are not likely to significantly affect reservoir and seal quality. © 2017 Society of Chemical Industry and John Wiley & Sons, Ltd.

Zhang, Liwei↗

Drying of strawberries with airborne ultrasound and other integrated dehydration mechanisms

This article presents a comprehensive investigation into the drying of strawberries using multiple dehydration methods with an emphasis on energy efficiency and sustainability. Initially, an airborne ultrasonic transducer with a frequency of 21 kHz was employed in batch operations to examine the effects of controlling parameters, including applied power, distance from the transducer plate, sample thickness, and sample holder type. The Energy Ratio, defined as the ratio of thermal energy required to evaporate moisture to ultrasonic energy, was observed to reach up to 2.2, particularly during the initial stages of drying. Subsequently, the Smart Dryer integrated airborne ultrasound (US) dehydration, slot jet reattachment (SJR) nozzle convective drying, infrared (IR) drying, and their combinations, enabling a systematic exploration of various drying conditions on the drying time and quality of strawberries. The integration of airborne US with SJR nozzles and IR drying demonstrates a promising approach for optimizing drying processes. This method not only preserves the quality of dried strawberries but also improves the energy factor to 0.88, reducing drying time by 89% compared with other conditions. Key quality attributes of the dried strawberries, such as color and water activity, were evaluated to understand the influence of each drying method. The findings highlight the potential of these integrated drying techniques as sustainable solutions for efficient and high-quality strawberry dehydration.

42 ENGINEERING↗

Colored noise effects on batch attitude accuracy estimates

The effects of colored noise on the accuracy of batch least squares parameter estimates with applications to attitude determination cases are investigated. The standard approaches used for estimating the accuracy of a computed attitude commonly assume uncorrelated (white) measurement noise, while in actual flight experience measurement noise often contains significant time correlations and thus is colored. For example, horizon scanner measurements from low Earth orbit were observed to show correlations over many minutes in response to large scale atmospheric phenomena. A general approach to the analysis of the effects of colored noise is investigated, and interpretation of the resulting equations provides insight into the effects of any particular noise color and the worst case noise coloring for any particular parameter estimate. It is shown that for certain cases, the effects of relatively short term correlations can be accommodated by a simple correction factor. The errors in the predicted accuracy assuming white noise and the reduced accuracy due to the suboptimal nature of estimators that do not take into account the noise color characteristics are discussed. The appearance of a variety of sample noise color characteristics are demonstrated through simulation, and their effects are discussed for sample estimation cases. Based on the analysis, options for dealing with the effects of colored noise are discussed.

Bilanow, Stephen↗

Fatty Amide Determination in Neutral Molecular Fractions of Green Crude Hydrothermal Liquefaction Oils From Algal Biomass

Even though hydrothermal liquefaction (HTL) is a promising route to produce crude oils (referred to as 'green crude'), the molecular composition of the nitrogen fraction of such green crude oils is not fully understood. The goal of this work was to identify and quantify the fraction of fatty amides in green crude oils obtained from five different samples derived from Desmodesmus armatus , Tetraselmis sp., and Chlorella sp. biomass treated under different HTL conditions (260 or 340 degrees C as batch or continuous processes). The goal of this work was to elucidate the nature of the high nitrogen content of the green crude oils. We identified at least 19 distinct fatty amides present in green crude oils and quantified them based on relevant standards in purified fractions after functional group-based separation and enrichment. It was not known how much these compounds contributed to the oils or which molecular fraction they are associated with. We found that fatty amides exclusively partitioned with the neutral fraction of the oils and belonged mainly to one of five categories, based on their functional group substitution, i.e., fatty amides, monomethyl, dimethyl, monoethanolamide, and diethanolamide. The quantification of fatty amides in the neutral oil fraction was based on respective fatty amide standards, after verification of consistency in response factors between molecules with different substitutions of the amide group. Here, we found that the amount of fatty amides found in each of the five samples varied considerably and ranged between 1.4 and 3.0% of the green crude oils, with the highest levels detected in the sample with the highest oil content, after HTL of biomass derived from a nutrient deprived Chlorella sp. culture.

09 BIOMASS FUELS↗

Mobilization of mercury from contaminated creekbank soils

The industrial use of mercury (Hg) led to the contamination of numerous watersheds worldwide, including the East Fork Poplar Creek (EFPC) in Tennessee, USA. Mercury can accumulate in creek banks and floodplain soils and is mobilized into downstream environments due to erosion from precipitation and flooding. Here, this study aimed to evaluate the geochemical conditions contributing to the release of Hg from contaminated soils in this watershed. Bank soil samples from the EFPC watershed with total Hg concentrations ranging from 27.2 to 1,425 mg·kg −1 were used in a series of batch experiments with artificial creek water at a solid-to-solution ratio of 1:30 to assess Hg release. Additional experiments examined Hg release across different soil size fractions and solid-to-solution ratios, as well as the effect of dissolved organic matter and time on Hg mobilization. Mercury release ranged from 0.011 to 0.17% of the total soil Hg and is correlated with total Hg concentrations. Variations in release among size fractions suggested heterogeneous distribution of labile Hg species. Results indicated two distinct solubility regimes depending on solid-to-solution ratios. Dissolved organic matter enhanced Hg release, and time-dependent experiments showed that changes in mercury speciation could decrease dissolved Hg concentrations over time. Identifying conditions that promote Hg mobilization from contaminated soils improves our understanding of Hg fluxes into downstream environments. Key factors influencing mercury release include soil characteristics, water chemistry, and temporal changes in mercury speciation.

54 ENVIRONMENTAL SCIENCES↗

Carbon and oxygen isotope study of carbonates from highly shocked clasts of the polymict breccia of the Haughton Crater (Canada)

It is known that the release of volatiles on impact is an important controlling factor in cratering processes in carbonate terranes and in the mobility of chemical elements. In order to assess the nature and the role of carbon- and oxygen-bearing volatiles during impact-induced metamorphism of sedimentary rocks, the C-13/C-12 and O-18/O-16 ratios and carbonate contents were determined for 30 shocked clasts from the Haughton Crater polymict breccia as well as for some unshocked carbonates from the sedimentary cover adjacent to the crater. Shock-induced CO2 loss during decarbonation of calcite is known to be a function of peak pressure and ambient partial pressure of the volatile species. In our clast samples, shocked from 20 to 60 GPa, we expect about 20 to 100 percent CO2 loss and preferential depletion in C-13 and O-18 in the residual carbonate. Rayleigh model (progressive loss of CO2) and batch model (single-step loss of CO2) curves for this depletion are shown. The magnitudes of the C-13 and O-18 depletions increase with the increase of the CO2 loss. In addition, the isotopic depletions should be correlated with an enrichment in CaO and MgO in the residual solid.

Agrinier, P.↗

Assessment of Core Physics Characteristics of Extended Enrichment and Higher Burnup LWR Fuels using the Polaris/PARCS Two-Step Approach. Vol. I: PWR Fuel

Nuclear fuel with extended enrichment (235U enrichment within 5-8 wt%) is one of the evolutionary changes that have been pursued in recent years by commercial light water reactor operators and fuel vendors to improve the fuel cycle economy and operation performance of a nuclear plant. This work assesses the performance of the Polaris/PARCS two-step approach in core physics modeling of the pressurized water reactor cores with extended enrichment fuel, referred to as “LEU+” in this report. A representative LEU+ core with a 24-month fuel cycle developed by Southern Nuclear Company (SNC) was modeled using this two-step approach. A representative LEU core with an 18-month fuel cycle was also modeled to provide a reference for the LEU+ core. As expected, significantly more burnable poison absorbers were used in the LEU+ core to accomodate its higher fuel enrichment. Nine different fuel assembly types were modeled using Polaris for each core to generate the assembly cross sections, which were then processed by GenPMAX to prepare the cross-section data for PARCS. The average specific powers of each fuel batch in each core were derived from VERA results and higher specific powers in fresh assemblies were found in the LEU core due to its less total uranium loading included in the VERA LEU model, given that the total core power was assumed to be the same for both cores. PARCS models were developed to simulate the steady-state operations of both cores. PARCS results on the LEU+ core were first compared with the VERA results for verification purpose; good agreements were seen in soluble boron and burnup distribution results, indicating that the Polaris/PARCS modeling and simulation were correctly implemented. Core physics parameters calculated by PARCS, at zero power physics tests, beginning of cycle (BOC), and end of cycle conditions (EOC), were compared between the LEU+ core and the LEU core, including soluble boron concentration, burnup distributions, assembly and pin power peaking factors, fuel temperature reactivity coefficients, moderator temperature and density reactivity coefficients, control rod worth, and shut down margin. The main differences in PARCS results between the LEU+ and the LEU cores are summarized below: 1)The critical boron concentrations were found to be much higher in the LEU+ core than in the LEU core (1582 vs. 1335 ppm for peak values). 2)Higher assembly radial power peaking factors (1.4 vs. 1.3 for peak values), 2D pin peaking factors (1.53 vs. 1.42 for peak values), and 3D pin peaking factors (1.89 vs. 1.81 for peak values) were found in the LEU+ core than in the LEU core. 3)Significantly higher reactivity coefficients of moderator temperature (and density) were found in LEU+ than in LEU.4)Significantly lower control rod worth at EOC were found in LEU+ than LEU for all but one control banks.5)Significantly lower shut down margins were found in the LEU+ core than in the LEU core. The Polaris/GenPMAX/PARCS code suite was found to be capable of modeling the LEU+ PWR core for steady-state operations and no unexpected results in core physics parameters were observed, in spite of that a) several bugs in PARCS were identified and workarounds were used; b) several features were found lacking in the current version of PARCS that would be useful for core modeling. A list of requests for bug fixes and feature upgrades for PARCS originated from this work were transmitted to the code developers. The assessments on the performance of the Polaris/PARCS two-step approach in core modeling for boiling water reactor with LEU+ fuel is ongoing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA GeneLab Multi-study Visualization Portal

NASA GeneLab has helped advance the field of Space Biology by providing a public repository where researchers can store, share, analyze and visualize the results of space flight related omics experiments. The GeneLab data visualization portal allows any user, regardless of bioinformatics knowledge or access to computational resources, to interact with the experimental data, draw their own conclusions, and gain insights about the effects of space on living systems. These tools help democratize scientific research and foster the NASA Open Science initiative. The new multi-study feature of the GeneLab visualization platform allows users to mine study metadata from RNA sequencing (RNA-seq) experiments to identify samples of interest by filtering datasets based on organism, tissue, assay technology type, and/or factor. Once samples are selected from multiple datasets, users can combine and normalize the sample data, then utilize the visualization displays, including Principal Component Analysis (PCA) plots, to assess sample distributions. Finally, users can perform differential gene expression analysis on the combined data and visualize the results through PCA plots, Volcano plots, Pair plots, Heatmap, Ideogram and Gene Set Enrichment Analysis. All user-generated results and visualizations will be available for download. Here, we present a biological study using samples from multiple GeneLab RNA-seq datasets and analyzed using the multi-study visualization platform to demonstrate inter- and intra-study variability, as well as commonly differentially expressed genes between spaceflight and ground control conditions across datasets. This new feature opens a wide range of possibilities and opportunities for further development including combining other assay technology types and integration with batch effect correction techniques and machine learning applications. Overall, this tool allows users to increase the statistical power of individual experiments, validate hypothesis, identify patterns, and opens the door to new and exciting research.

space biology↗

Lunar Explorer Instrument for space biology Applications (LEIA): An overview of planned science concept of operations

Radiation and reduced gravity pose biological risks to crewed deep space exploration. To better understand deep space radiation biology, the LEIA mission will measure charged particles and fast neutrons as well as yeast growth, metabolic rate, and bioengineered production of carotenoids at the lunar surface. LEIA will be delivered to the south polar region of the Moon by the Commercial Lunar Payload Services (CLPS) program. The LEIA science concept of operations was developed to isolate radiation and partial gravity from other environmental conditions experienced by the payload. Due to CLPS integration requirements, there will be at least eight months from loading yeast into the payload until activation on the lunar surface. Replicate yeast strains will be loaded in a randomized complete block design to minimize batch differences in desiccation tolerance and positional effects in the microfluidics culture system. Temperature and relative humidity will be controlled throughout integration and flight to maintain yeast viability and to enable measurement of yeast growth parameters within the lunar surface operations timeframe, with the ground control matching environmental conditions where possible. LEIA is co-manifested with the European Space Agency’s PROSPECT mission, which will be operating a drill during yeast growth. Vibration translated through the lunar lander will be mitigated and quantified to account for potential impacts on LEIA optical measurements and yeast growth rate. Total space radiation dose, including the transit exposure from Earth to the Moon, will be measured to obtain more accurate charged particle and fast neutron dose rates on the lunar surface. These radiation data will also yield ground truth radiation dose experienced by the yeast during the mission. Quantifying these environmental factors impacting the LEIA payload will allow more accurate ground control experiments to better isolate the biological responses to radiation and reduced gravity at the lunar surface.

Lunar Surface Mission↗

Summary of Expedited Results from Samples Supporting Tank Closure Cesium Removal (TCCR) Batch 3

Savannah River Remediation (SRR) is currently operating the Tank Closure Cesium Removal (TCCR) process to remove 137 Cs from tank waste supernate using an ion exchange process. As part of that process, Savannah River National Laboratory (SRNL) receives and analyzes samples in support of the qualification of each batch to be processed. SRNL recently received supernate samples retrieved from Tank 10H as well as in-tank batch contact samples for characterization in support of qualifying Batch 3 for processing through the TCCR unit. SRNL received and characterized a set of dip samples collected from Tank 10H (one surface and one variable depth sample). No solids were observed in either sample and therefore the samples were combined, and a suite of analyses were performed on the composite sample. The density of the combined sample was 1.174 g/mL (0.18 %RSD), which was consistent with the measured sodium concentration of 3.54 M (0.08 %RSD). The 137Cs activity in the sample was 4.75E+07 dpm/mL (4.28 %RSD) and the total Cs concentration was calculated to be 1.54 mg/L (1.16E-05 M). The in-tank batch contact samples consist of 0.1 g of crystalline silicotitanate (CST) contained within a teabag device. Duplicate samples were submerged in Tank 10H supernate for a period of about 13 days, after which time they were retrieved and transferred to SRNL for analysis. At SRNL the CST was rinsed to remove excess salt solution and the CST was then air dried before being digested for analysis. Results of the analysis indicated a 137 Cs loading of 3.66E+10 ± 1.40E+09 dpm/g or 16.5 ± 0.63 Ci/kg CST . This value represents a bounding upper limit as it includes the addition of two sigma uncertainty from replicate analysis of the individual teabag samples as well as the addition of the small amount of 137 Cs activity measured in the rinse solutions. The above values are based on the air-dried mass of CST. Correcting to the true dry mass using a F-factor of 0.8191 results in a maximum loading of 20.2 ± 0.77 Ci/kg CST .

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Feasibility Studies on a Hexagonal-Lattice Core for a World-Class Cold Neutron Source

Cold neutrons have kinetic energies less than 5 meV and wavelengths greater than 4 Α. They can be transported over tens of meters through super-reflecting neutron guides with minimal losses. Cold neutrons are used to investigate the structure of larger molecular systems such as biological materials, polymers and aggregates, due to their preferential interaction with light elements and general ignorance towards heavy ones. Intense beams of cold neutrons are obtained from slowing down a source of thermal energy neutrons - which may be from either a research reactor or spallation neutron source - through some cryogenic moderator such as liquid hydrogen or deuterium. The present reactor at the NIST Center for Neutron Research (NCNR) - NBSR - is such a cold neutron source (CNS) facility which provides cold neutron beams for over 2,000 scientists performing various experiments annually. Feasibility studies on a replacement reactor for the NBSR are underway at NCNR with the primary purpose of optimized cold neutron production. Low enriched uranium (LEU) fuel is required for the new reactor to conform to nuclear non-proliferation agreements. The low thermal power rate of 20 MW is taken as a priority with a fuel cycle length designated as 30 days. A horizontal split compact core with a large D{sub 2}O reflector tank is currently proposed and studied, with the expectation of achieving much better cold neutron performance than the present NIST reactor (NBSR). A preliminary core design has been completed using MCNP6 modeling and simulation. The physics performance characteristics of the proposed new core indicate that the new design is competitive with the most notable existing advanced cold neutron sources. In previous studies, only rectangular shaped fuel elements were considered because they have similar external dimensions as the NBSR fuel elements. However, from a compact core standpoint, a square lattice is not the most effective geometry for a tight configuration. Moreover, the previous studies also showed that the square lattice of the fuel elements left little room to accommodate vertical insertion blade-type control elements. As a result, all control blades had to reside in the D{sub 2}O reflector, which made the design cumbersome (in that case the control blades must penetrate the reflector tank) and neutronically uneconomical. In this summary, a preliminary feasibility study on a hexagonal core lattice is performed to render an alternative geometry for the new reactor (HEX core) to provide sufficient space for the control elements. The identical LEU fuel (U{sub 3}Si{sub 2}/Al) with U-235 enrichment 19.75% is used in the new design. The maximum thermal power and fuel management scheme remain the same as the previous investigations (three 30-day cycled batches for each batch of three fuel elements). The horizontal split compact core concept is also applied in the hexagonal lattice core design, with the objective of creating maximum thermal flux traps between the split core halves. A detailed description of the model for the hexagonal lattice core is presented in the following section. The HEX core design achieves a number of successes over the previous split-core design. Given that much of the motivation of this work was based on implementation of control blades into a concept which lacked them, it is notable that neutron economy was well-preserved in the process of achieving conservatively effective reactivity control; start-up k{sub eff} was in fact increased by 0.23% and peak thermal flux increased by ∼25%. A useful metric in determining the efficacy of resources towards creating an environment for the production of cold neutrons - dubbed the 'quality factor' (QF) - is the ratio of peak thermal neutron flux in a system to the total thermal power produced. Because HEX core's objectives are very focused in comparison to existing research reactors, it is fitting to pursue a design which out-performs all others in terms of some specific performance metric, namely this QF term. While HFIR remains the greatest cold neutron source in the world, it does so through use of HEU fuel (which will be replaced with LEU in the near future), and suffers a greater level of fast neutron contamination that is expected from the HEX design. The new core design achieves these successes due to the hexagonal lattice fuel arrangement, a 13.5% reduction in cladding mass, and a 13.1% reduction in fuel element volume. In spite of a 5.5% reduction in fuel mass, no compromises in reactor performance were noted. Provided the favorable characteristics shown of the control blade design, refueling intervals longer than the prescribed 30 days may be considered. It can be speculated that with these quantitative benefits, the overall capital and continuous costs of the HEX core design will be less than the previously proposed split-core concept.

07 ISOTOPE AND RADIATION SOURCES↗

Batch VUV4 characterization for the SBC-LAr10 scintillating bubble chamber

The Scintillating Bubble Chamber (SBC) collaboration purchased 32 Hamamatsu VUV4 silicon photomultipliers (SiPMs) for use in SBC-LAr10, a bubble chamber containing 10 kg of liquid argon. A dark-count characterization technique, which avoids the use of a single-photon source, was used at two temperatures to measure the VUV4 SiPMs breakdown voltage (V BD ), the SiPM gain (g SiPM ), the rate of change of g SiPM with respect to voltage (m), the dark count rate (DCR), and the probability of a correlated avalanche (P CA ) as well as the temperature coefficients of these parameters. A Peltier-based chilled vacuum chamber was developed at Queen's University to cool down the Quads to 233.15 ± 0.2 K and 255.15 ± 0.2 K with average stability of ±20 mK. An analysis framework was developed to estimate V BD to tens of mV precision and DCR close to Poissonian error. The temperature dependence of V BD was found to be 56 ± 2 mV K -1 , and m on average across all Quads was found to be (459 ± 3(stat.)±23(sys.))× 10 3 e- PE -1 V -1 . The average DCR temperature coefficient was estimated to be 0.099 ± 0.008 K -1 corresponding to a reduction factor of 7 for every 20 K drop in temperature. The average temperature dependence of P CA was estimated to be 4000 ± 1000 ppm K -1 . P CA estimated from the average across all SiPMs is a better estimator than the P CA calculated from individual SiPMs, for all of the other parameters, the opposite is true. All the estimated parameters were measured to the precision required for SBC-LAr10, and the Quads will be used in conditions to optimize the signal-to-noise ratio.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Pilot Testing of a Modular Oxygen Production System Using Oxygen Binding Adsorbents (Final Report)

In this project, RTI and Air Liquide have focused on the development of innovative oxygen separation materials and technologies based on reversibly binding of oxygen to enable smaller and cheaper air separations. In alignment with that object the team has had multiple achievements to advance the technology including: Synthesized and characterized novel M-CoSalen (RTIO2Sorb-1) material which showed a dynamic oxygen adsorption capacity in excess of 1wt%. Developed synthesis routes for RTIO2Sorb-1 with commercially relevant techniques and produced batches of 0.25kg and over 4 kg of total synthesis. Synthesized and characterized extrudate forms of the RTIO2Sorb-1 with relevant crush strength and maintained dynamic oxygen adsorption capacity in near 1wt%. Developed techniques for forming structured beds in fiber shapes with conventional materials. Developed a model for O 2 sorption processes to analyze various bed configurations and cycle parameters. Studied classic O 2 solid sorbents reported in the literature to learn oxygen binding mechanisms. Design a 10 kg/day O 2 VPSA pilot system with 2 or 4-bed operation. Completed a techno-economic analysis based on the experimental results and modeling. The overall objective of the project was to design, fabricate, and test a modular O 2 production system and perform a techno-economic analysis (TEA) after testing to determine the cost-benefit of the advanced modular air separation system. The goals of this technology development project were to achieve a bed-size factor (BSF) of less than 600 lb-adsorbent/TPD O 2 (ton/day O 2 ) (as compared with the state-of-the-art BSF of 850), and O 2 -purity greater than 95% at a cost that is projected to be equivalent or lower than the current state of the art (SOTA), commercially available large-scale cryogenic air separation systems. To achieve these goals and objective, the project team executed on (1) oxygen binding adsorbent optimization and scale up, (2) adsorbent material formation process studies to form the adsorbent material into structured beds for rapid pressure swing adsorption (PSA) cycles with low pressure drop, fast mass transfer, and low attrition, (3) cycle development studies to optimize the PSA process, and (4) develop simulation tools for rapid cycle modeling and numerical evaluation/optimization.

20 FOSSIL-FUELED POWER PLANTS↗

Design and full core fuel performance assessment of high burnup cores for 4-loop PWRs

Increasing the fuel discharge burnup of current light water reactors (LWRs) promises reductions in fuel cycle and/or operations costs. By assuming a constant core power density, the economic gain is enabled by better fuel utilization and/or an increased capacity factor. In this effort to investigate greater than 62 MWd/kgU maximum rod average burnup for 110+ kW/l core power density, two core designs have been developed for a standard 17x17, 193 fuel assemblies pressurized water reactor (PWR). The levelized unit cost methodology is employed to evaluate fuel cycle, operation and maintenance, and capital cost impacts and to examine the economic viability of both core design pathways. Core design and optimization are performed using the commercial STUDSVIK code package. Fuel performance analysis is realized in full core configuration via auditing FRAPCON4.1, FAST1.2, and the high-fidelity code BISON. To provide a realistic assessment, the core design process takes into consideration best practices in current PWR core design. It features acceptable performance in terms of various core design constraints on maximum allowable peaking and boron concentration. Gadolinia (Gd2O3) is used as a burnable poison with a maximum of 9 wt% concentration while feeding 89 or 77 fuel assemblies in a 3-batch refueling scheme. Full core fuel performance simulation, which allows for characterization of relevant fuel temperatures, plenum pressures, stresses, and strains, is performed with respect to two bounding burnup levels. Such performance is potentially licensable for the 18-month high burnup core (<68 MWd/kgU peak pin), while it is more challenging for the 24-month high burnup core design pathway (<75 MWd/kgU peak pin). Maximum rod plenum pressure is identified as the most limiting fuel performance parameter. Here, while the scope of the present study focuses on the steady-state plus overpower conditions, the acceptability of the new discharge burnup has to be further assessed by considering uncertainties and impacts under accident scenarios in the future.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Solidification cracking of refractory alloys: a computational and machine learning study to investigate composition-dependence for improved weldability and additive manufacturability

Large-batch numerical, CALculation of PHAse Diagrams (CALPHAD)-based solidification cracking calculations are performed and then analyzed with machine learning methods to generate models that relate chemistry of refractory alloys to cracking susceptibility. Kou’s solidification cracking index is used to study the refractory alloys including O, N, C binary mixtures with Mo, Ta, Nb, and W, the molybdenum-based TZM, Niobium-based C103, and Tantalum-based T111 and Ta-10 W, as well as hypothetical refractory ternary alloys. Findings strongly validate Kou’s Crack Susceptibility Index (CSI) against Varestraint test data for Nb- and Ta-based alloys, establishing CSI thresholds where refractory alloys with CSI < 15,000 K are likely weldable, CSI > 15,000 K are prone to cracking, and CSI > 25,000 K are likely unweldable (or unprintable). Furthermore, interstitial elements C, N, and O significantly increase crack susceptibility, with some existing material specifications coinciding with peak cracking susceptibility concentrations. Finally, machine learning-derived elemental potency factors enable rapid prediction of CSI from alloy chemistry for C103, TZM, Ta-10 W, and T-111 alloys. These results provide practical guidance for feedstock selection, powder reuse limits, and alloy specification amendments for welding and additive manufacturing applications.

36 MATERIALS SCIENCE↗