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A Qualitative Strategy for Fusion of Physics into Empirical Models for Process Anomaly Detection

To facilitate the automated online monitoring of power plants, a systematic and qualitative strategy for anomaly detection is presented. This strategy is essential to provide credible reasoning on why and when an empirical versus hybrid (i.e., physics-supported) approach should be used and to determine the ideal mix of these two approaches for a defined anomaly detection scope. Empirical methods are usually based on pattern, statistical, and causal inference. Hybrid methods include the use of physics models to train and test data methods, reduce data dimensionality, reduce data-model complexity, augment data, and reduce empirical uncertainty; hybrid methods also include the use of data to tune physics models. The presented strategy is driven by key decision points related to data relevance, simple modeling feasibility, data inference, physics-modeling value, data dimensionality, physics knowledge, method of validation, performance, data availability, and suitability for training and testing, cause-effect, entropy inference, and model fitting. The strategy is demonstrated through a pilot use case for the application of anomaly detection to capture a valve packing leak at the high-pressure coolant injection system of a nuclear power plant.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Population Genomic Analyses Reveal Connectivity via Human-Mediated Transport across Populus Plantations in North America and an Undescribed Subpopulation of Sphaerulina musiva

Domestication of plant species has affected the evolutionary dynamics of plant pathogens in agriculture and forestry. A model system for studying the consequences of plant domestication on the evolution of an emergent plant disease is the fungal pathogen Sphaerulina musiva. This ascomycete causes leaf spot and stem canker disease of Populus spp. and their hybrids. A population genomics approach was used to determine the degree of population structure and evidence for selection on the North American population of S. musiva. In total, 122 samples of the fungus were genotyped identifying 120,016 single-nucleotide polymorphisms after quality filtering. In North America, S. musiva has low to moderate degrees of differentiation among locations. Three main genetic clusters were detected: southeastern United States, midwestern United States and Canada, and a new British Columbia cluster (BC2). Population genomics suggest that BC2 is a novel genetic cluster from central British Columbia, clearly differentiated from previously reported S. musiva from coastal British Columbia, and the product of a single migration event. Phenotypic measurements from greenhouse experiments indicate lower aggressiveness of BC2 on Populus trichocarpa. In summary, S. musiva has geographic structure across broad regions indicative of gene flow among clusters. The interconnectedness of the North American S. musiva populations across large geographic distances further supports the hypothesis of anthropogenic-facilitated transport of the pathogen.

Biochemistry & Molecular Biology↗

A hybrid surrogate modeling framework for the Digital Twin of a Fluoride-salt-cooled High-temperature Reactor (FHR)

While nuclear energy is a non-greenhouse-gas emitting energy source, expensive operational costs due to the high-level of safety requirements decreases their competitiveness in the sustainable energy market. Advanced reactor concepts paired with Digital Twins aim to increase the commercialization gains of nuclear energy by reducing operational costs, increasing reactor reliability and enhancing power generation. To support Digital Twin tasks such as real-time autonomous control, proactive maintenance monitoring or optimizing power demand operations, a fast and accurate virtual representation of the Nuclear Power Plant (NPP) is required. The computational cost of high-fidelity, physics-based models are unsuitable for real-time analysis or scalability. Here, in this work, a hybrid surrogate modeling framework is developed fora Fluoride-salt-cooled High-temperature Reactor (FHR) that leverages physics-inspired models for key reactor components and uses data-driven methods for rapid system state space prediction. The Xenon reactivity feedback model is integrated to inform the surrogate model about the reactor core and the homologous pump theory model is the basis for representing pump degradation. Using a detailed, two dimensional thermal hydraulics model to generate data on the FHR, we train a network of Vectorized Autoregressive Moving-Average with eXogenous input (VARMAX) models to predict the remaining state values. The result is a surrogate model that provides a detailed reactor state representation of 41 system states and a pump degradation analysis. The framework is applied to Load Follows profiles, yielding high accuracy and a speedup that is more than 4000x faster compared to the higher- fidelity thermal hydraulics model, enabling real-time operational intelligence and applications in long horizon predictions. While the surrogate model framework is demonstrated for the particular case of FHR, the hybrid physical/data-driven modeling approach including the network of surrogates and the underlying modularity has the potential to be applied to other physical asset systems.

Digital Twins↗

Soil phosphorus drawdown by perennial bioenergy cropping systems in the Midwestern US

Abstract Without fertilization, harvest of perennial bioenergy cropping systems diminishes soil nutrient stocks, yet the time course of nutrient drawdown has not often been investigated. We analyzed phosphorus (P) inputs (fertilization and atmospheric deposition) and outputs (harvest and leaching losses) over 7 years in three representative biomass crops—switchgrass ( Panicum virgatum L.), miscanthus ( Miscanthus × giganteus ) and hybrid poplar trees ( Populus nigra × P. maximowiczii )—as well as in no‐till corn (maize; Zea mays L.) for comparison, all planted on former cropland in SW Michigan, USA. Only corn received P fertilizer. Corn (grain and stover), switchgrass, and miscanthus were harvested annually, while poplar was harvested after 6 years. Soil test P (STP; Bray‐1 method) was measured in the upper 25 cm of soil annually. Harvest P removal was calculated from tissue P concentration and harvest yield (or annual woody biomass accrual in poplar). Leaching was estimated as total dissolved P concentration in soil solutions sampled beneath the rooting depth (1.25 m), combined with hydrological modeling. Fertilization and harvest were by far the dominant P budget terms for corn, and harvest P removal dominated the P budgets in switchgrass, miscanthus, and poplar, while atmospheric deposition and leaching losses were comparatively insignificant. Because of significant P removal by harvest, the P balances of switchgrass, miscanthus, and poplar were negative and corresponded with decreasing STP, whereas P fertilization compensated for the harvest P removal in corn, resulting in a positive P balance. Results indicate that perennial crop harvest without P fertilization removed legacy P from soils, and continued harvest will soon draw P down to limiting levels, even in soils once heavily P‐fertilized. Widespread cultivation of bioenergy crops may, therefore, alter P balances in agricultural landscapes, eventually requiring P fertilization, which could be supplied by P recovery from harvested biomass.

09 BIOMASS FUELS↗

Hybrid radical-polar pathway for excision of ethylene from 2-oxoglutarate by an iron oxygenase

Tracing a path to ethylene Ethylene is produced industrially from fossil carbon sources, but plants and microbes produce small amounts through a handful of unusual enzymatic reactions. Copeland et al . studied a microbial ethylene-forming enzyme using oxygen isotope–tracing experiments and biochemical assays to test mechanistic proposals. This enzyme, which uses a non–heme iron center to activate oxygen, catalyzes two distinct oxidation reactions with different mechanisms. One reaction is entirely off-pathway and results in fragmentation of a co-substrate, arginine. The other reaction can completely fragment 2-oxoglutarate into ethylene, bicarbonate, and two molecules of carbon dioxide; however, it occasionally derails and yields an omega–hydroxy acid product. —MAF

Science & Technology - Other Topics↗

Hepatic transcriptome analyses of juvenile white bass ( Morone chrysops ) when fed diets where fish meal is partially or totally replaced by alternative protein sources

White bass (Morone chrysops) are a popular sportfish throughout the southern United States, and one parent of the commercially-successful hybrid striped bass (M. chrysops male x M. saxatilis female). Currently, white bass are cultured using diets formulated for other carnivorous fish, such as largemouth bass (Micropterus salmoides) or hybrid striped bass and contain a significant percentage of marine fish meal. Since there are no studies regarding the utilization of alternative proteins in this species, we evaluated the global gene expression of white bass fed diets in which fish meal was partially or totally replaced by various combinations of soybean meal, poultry by-product meal, canola meal, soy protein concentrate, wheat gluten, or a commercial protein blend (Pro Cision™). Six isonitrogenous (40% protein), isolipidic (11%), and isocaloric (17.1 kJ/g) diets were formulated to meet the known nutrient and energy requirements of largemouth bass and hybrid striped bass using nutrient availability data for most of the dietary ingredients. One of the test diets consisted exclusively of plant protein sources. Juvenile white bass (40.2 g initial weight) were stocked into a flow-through aquaculture system (three tanks/diet; 10 fish/tank) and fed the test diets twice daily to satiation for 60 days. RNA sequencing and bioinformatic analyses revealed significant differentially expressed genes between all test diets when compared to fish meal control. A total of 1,260 differentially expressed genes were identified, with major ontology relating to cell cycle and metabolic processes as well as immune gene functions. This data will be useful as a resource for future refinements to moronid diet formulation, as marine fish meal becomes limiting and plant ingredients are increasingly added as a reliable protein source

59 BASIC BIOLOGICAL SCIENCES↗

HybridSystemsSimulations.jl - Solving the Merchant Collocated Facilities with JuMP

The development of new clean-generation technologies also leads to new plant-level architectures that combine several generation and storage assets behind the point of connection. These co-located generation resources (Hybrid Systems) primarily operate as merchant assets that employ automated market bidding models and internal Energy Management Systems (EMS) to comply with the operator's signals. Formulating an optimal bidding model requires embedding the EMS control model into the bidding algorithm, resulting in a bi-level optimization problem. In this presentation, we first showcase using JuMP to formulate and solve this problem effectively for multiple merchant systems and the bidding outcomes considering different model formulations. Second, the bidding outcomes are later integrated into a PowerSimulations.jl (also built with JuMP) simulation to study the system-level effects of the various merchant bidding and the interactions between market-clearing models and the embedded EMS model. We will showcase simulations conducted in the RTS system considering different levels of merchant hybrid systems participation. The presentation provides the following specific insights on JuMP usage: 1) the Formulation of specialized bi-level problems with custom cuts to solve the merchant hybrid system bidding problem; 2) the integration of a modular model within a complex simulation workflow supported by JuMP in PowerSimulations.jl; 3) Accelerating the solution of power systems operations simulation that employ agent optimization problems using JuMP.

energy markets↗

Economic analysis of a nuclear hybrid energy system in a stochastic environment including wind turbines in an electricity grid

The electricity market in the U.S. is moving toward an energy mix including more variable renewable energy (VRE) sources like wind and solar. This increasing VRE penetration is altering the profile of the net electricity demand. Normally, flexible generators (e.g. gas turbines) are used to absorb fluctuations in the electricity demand. Therefore, an increase in VRE also leads to an increase in installed capacity for such flexible generators which, in turn, may increase the price of electricity. Nuclear-Renewable Hybrid Energy Systems (N-R HES) are seen as a solution to this problem. The N-R HES contains a nuclear power plant electrically and/or thermally linked to an industrial process (IP). This paper demonstrates a new methodology and presents the corresponding RAVEN/Modelica-based software framework to evaluate the financial performance of N-R HES. The novelty of the method is that it explicitly incorporates the stochastic nature of N-R HES inputs such as electricity demand and wind speeds. The method is applied to a generic (rather than region-specific) N-R HES. The analysis shows that under the right market conditions, economic benefits can be achieved by adding a suitable IP to the base-load generator. In particular, there exists an optimal relationship between the IP capacity and the demand. Furthermore, global trends indicate VRE penetration raises the cost of electricity due to the added volatility, an issue only mitigated when operating with high profit margins for the IP.

97 MATHEMATICS AND COMPUTING↗

Three mutations repurpose a plant karrikin receptor to a strigolactone receptor

Significance Parasitic plants like witchweed cause huge losses in crop yield in Africa. A key part to the success of witchweed is to start its life cycle upon sensing small molecules called strigolactones, which are exuded from roots of host plants into the soil. Witchweed sense host-derived strigolactones through receptors called HTLs. It is thought that the evolutionary origin of HTLs is a receptor called KAI2 in nonparasitic plants, which can respond to different small molecules such as karrikins. By making three changes in the protein sequence of KAI2, this hybrid receptor can now sense both strigolactones and karrikins. These results help in understanding how receptors can evolve to sense different signals and can lead to solutions for combating pesky witchweed.

Arellano-Saab, Amir↗

Flexible Nuclear Energy for Clean Energy Systems

As part of the Nuclear Innovation: Clean Energy Future initiative, this report describes flexibility in nuclear systems, the value it can bring, and international experiences surrounding flexible nuclear energy. Flexible nuclear energy for this report is defined as “The ability of nuclear energy generation to economically provide energy services at the time and location they are needed by end-users. These energy services can include both electric and non-electric applications utilizing both traditional nuclear power plants and advanced integrated systems.” Flexibility in nuclear systems is enabled by three main mechanisms: core ramping, integrated energy systems with multiple byproducts, and thermal storage. The value of this flexibility on a $\$$/MW and a $\$$/MWh basis can be estimated through a combination of physics and economics modeling. International agencies describe their experiences in operating flexible nuclear systems and describe their plans for increasing nuclear flexibility in a clean energy system, likely with a high penetration of variable renewable energy.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

An effective air–liquid contactor for CO 2 direct air capture using aqueous solvents

Here, the development of a cost-effective, corrosion resistant, high-flux direct air capture (HiDAC) contactor for a solvent-based direct air capture (DAC) process is reported. Literature technoeconomic analyses suggest that the air–liquid contactor can cost over 20 % of the overall DAC plant’s annualized capital costs. To bring down the overall cost of DAC, it is imperative that an effective contactor is developed. A hybrid contactor consisting of a commercial polyvinylchloride structured packing enhanced with stainless-steel 410 random packing has been developed to provide a high surface area for air–liquid contact. The contactor geometry, wettability, corrosion resistance, pressure drop, along with its CO 2 uptake efficiency, CO 2 uptake rates, and extended loading potential using potassium sarcosinate solutions are investigated. Results show that the HiDAC contactor has a relatively high specific surface area (885 m 2 /m 3 ), which allows for CO 2 uptake efficiencies of up to 75 % and capture rates of up to 550 g of CO 2 per day for a 0.3 × 0.25 × 0.3 m contactor. The contactor also exhibits high levels of wettability and corrosion resistance with amino acid-based DAC solvents. A CO 2 uptake model was developed, and modeling results are compared to experimental data to simulate and predict the performance of the contactor in a DAC process using potassium sarcosinate solvent. The system’s overall mass transfer coefficient and theoretical pressure drop were also calculated, and these results were compared to DAC data found in literature. The results presented indicate that the HiDAC contactor is well suited for DAC due to its high specific surface area, resistance to corrosion, and high degree of wettability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data from: Soil phosphorus drawdown by perennial bioenergy cropping systems in the Midwestern US

We analyzed phosphorus (P) inputs (fertilization and atmospheric deposition) and outputs (harvest and leaching losses) over seven years in three representative biomass crops—switchgrass ( Panicum virga­tum L.), miscanthus ( Miscanthus X giganteus ) and hybrid poplar trees ( Populus nigra X P . maximowiczii ) – as well as in no-till corn (maize; Zea mays L.) for comparison, all planted on former cropland in SW Michigan, USA.

corn↗

Evolution of p -coumaroylated lignin in eudicots provides new tools for cell wall engineering

Ester-linked p-coumarate (pCA) is a hallmark feature of the secondary cell walls in commelinid monocot plants. It has been shown that pCA groups arise during lignin polymerisation from the participation of monolignol conjugates assembled by p-coumaroyl-CoA:monolignol transferase (PMT) enzymes, members of the BAHD superfamily of acyltransferases. Herein we report that a eudicot species, kenaf (Hibiscus cannabinus), naturally contains p-coumaroylated lignin in the core tissues of the stems but not in the bast fibres. Moreover, we identified a novel acyltransferase, HcPMT, that shares less than 30% amino acid identity with known monocot PMT sequences. Recombinant HcPMT showed a preference in enzyme assays for p-coumaroyl-CoA and benzoyl-CoA as acyl donor substrates, and sinapyl alcohol as an acyl acceptor. Heterologous expression of HcPMT in hybrid poplar trees led to the incorporation of pCA in lignin but no improvement in the saccharification potential of the wood. This work illustrates the value in mining diverse plant taxa for new monolignol acyltransferases. Furthermore, the occurrence of pCA outside of monocot lineages may represent another example of convergent evolution in lignin structure. Furthermore, this discovery expands textbook views on cell wall biochemistry and provides a new molecular tool for engineering the lignin of biomass feedstock plants.

59 BASIC BIOLOGICAL SCIENCES↗

Knocking out the carboxyltransferase interactor 1 (CTI1) in Chlamydomonas boosted oil content by fivefold without affecting cell growth

Summary The first step in chloroplast de novo fatty acid synthesis is catalysed by acetyl‐CoA carboxylase (ACCase). As the rate‐limiting step for this pathway, ACCase is subject to both positive and negative regulation. In this study, we identify a Chlamydomonas homologue of the plant carboxyltransferase interactor 1 (CrCTI1) and show that this protein interacts with the Chlamydomonas α‐carboxyltransferase (Crα‐CT) subunit of the ACCase by yeast two‐hybrid protein–protein interaction assay. Three independent CRISPR‐Cas9 mediated knockout mutants for CrCTI1 each produced an ‘enhanced oil’ phenotype, accumulating 25% more total fatty acids and storing up to fivefold more triacylglycerols (TAGs) in lipid droplets. The TAG phenotype of the crcti1 mutants was not influenced by light but was affected by trophic growth conditions. By growing cells under heterotrophic conditions, we observed a crucial function of CrCTI1 in balancing lipid accumulation and cell growth. Mutating a previously mapped in vivo phosphorylation site (CrCTI1 Ser108 to either Ala or to Asp), did not affect the interaction with Crα‐CT. However, mutating all six predicted phosphorylation sites within Crα‐CT to create a phosphomimetic mutant reduced this pairwise interaction significantly. Comparative proteomic analyses of the crcti1 mutants and WT suggested a role for CrCTI1 in regulating carbon flux by coordinating carbon metabolism, antioxidant and fatty acid β‐oxidation pathways, to enable cells to adapt to carbon availability. Taken together, this study identifies CrCTI1 as a negative regulator of fatty acid synthesis in algae and provides a new molecular brick for the genetic engineering of microalgae for biotechnology purposes.

Li, Zhongze [Aix‐Marseille Université, CEA, CNRS, ↗

FORCE-DISPATCHES Integration - Initial Demonstration

Integrated energy systems (IES) combine, in mutually beneficial ways, power from variable renewable energy sources and nuclear power plants (NPP) to improve economic viability under uncertain market and weather conditions. The open-source Framework for Optimization of Resources and Economics (FORCE) tool suite, developed at Idaho National Laboratory (INL), has enabled comprehensive modeling and simulation of IES. The capabilities within FORCE include grid portfolio optimization through the Holistic Energy Resource Optimization Network (HERON) and the transient process model analysis library HYBRID, among others. Continuous efforts and investments from the IES programs have been made to expand and improve the versatility of the FORCE toolset in fiscal year 2022. Code-coupling and cross-tool communication have been important methods for improving this versatility. This report focuses on an additional workflow in the HERON tool for capacity and dispatch stochastic optimization through integration with the external tool Design Integration and Synthesis Platform to Advance Tightly Coupled Hybrid Energy Systems (DISPATCHES). DISPATCHES was primarily developed by the National Energy Technology Laboratory, in collaboration with other national laboratories, which included INL, universities, and industry partners. It is coupled to a library of algebraic models for specific plant components, and to a framework for stochastic optimization different from that provided in the current Risk Analysis Virtual Environment (RAVEN)-running-RAVEN algorithm in HERON. HERON currently conducts stochastic optimization via an outer-inner loop: it optimizes over variable capacity on the outer loop, and at each step within the capacity parameter space, conducts an inner optimization over scenarios (of market signals, demand, and/or weather patterns) and hourly dispatch throughout a user-specified number of years. On the other hand, DISPATCHES conducts stochastic optimization via an “all-at-once” strategy in which capacity variables are optimized at the same level as dispatch variables, as all scenarios are considered at once. The latter method works especially well for projects of limited size and project length, as the necessary computational power and memory increases with the number of variables and scenarios. The new capability to use the DISPATCHES workflow in HERON enhances standalone simulations by leveraging FORCE tools—namely, the economic metrics from the Tool for Economic Analysis (TEAL) and reduced-order model (ROM) sampling from RAVEN. The initial demonstration of the DISPATCHES workflow simulates an existing nuclear-case flowsheet within the DISPATCHES repository—this models a NPP with a secondary revenue stream for hydrogen production. Electrical output from the plant is converted to hydrogen via a proton-exchange membrane (PEM) electrolyzer, hydrogen tanks are used for storage, and an additional turbine is added for hydrogen combustion. Continued work regarding this FORCE-DISPATCHES integration will include automatic generation of DISPATCHES models from HERON inputs, offering analysts the option of using either the RAVEN-runsRAVEN or DISPATCHES workflow to solve technoeconomic optimization problems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Arabidopsis thaliana EARLY RESPONSIVE TO DEHYDRATION 7 Localizes to Lipid Droplets via Its Senescence Domain

Lipid droplets (LDs) are neutral-lipid-containing organelles found in all kingdoms of life and are coated with proteins that carry out a vast array of functions. Compared to mammals and yeast, relatively few LD proteins have been identified in plants, particularly those associated with LDs in vegetative (non-seed) cell types. Thus, to better understand the cellular roles of LDs in plants, a more comprehensive inventory and characterization of LD proteins is required. Here, we performed a proteomics analysis of LDs isolated from drought-stressed Arabidopsis leaves and identified EARLY RESPONSIVE TO DEHYDRATION 7 (ERD7) as a putative LD protein. mCherry-tagged ERD7 localized to both LDs and the cytosol when ectopically expressed in plant cells, and the protein’s C-terminal senescence domain (SD) was both necessary and sufficient for LD targeting. Phylogenetic analysis revealed that ERD7 belongs to a six-member family in Arabidopsis that, along with homologs in other plant species, is separated into two distinct subfamilies. Notably, the SDs of proteins from each subfamily conferred targeting to either LDs or mitochondria. Further, the SD from the ERD7 homolog in humans, spartin, localized to LDs in plant cells, similar to its localization in mammals; although, in mammalian cells, spartin also conditionally localizes to other subcellular compartments, including mitochondria. Disruption of ERD7 gene expression in Arabidopsis revealed no obvious changes in LD numbers or morphology under normal growth conditions, although this does not preclude a role for ERD7 in stress-induced LD dynamics. Consistent with this possibility, a yeast two-hybrid screen using ERD7 as bait identified numerous proteins involved in stress responses, including some that have been identified in other LD proteomes. Collectively, these observations provide new insight to ERD7 and the SD-containing family of proteins in plants and suggest that ERD7 may be involved in functional aspects of plant stress response that also include localization to the LD surface.

54 ENVIRONMENTAL SCIENCES↗

Nitrogen dynamics and physiological N use efficiency in high‐biomass sorghum

Improving nitrogen (N) efficiency is essential for sustainable high-biomass sorghum ( Sorghum bicolor L. Moench) production. This study evaluated leaf and stem N dynamics, canopy N remobilization, and physiological nitrogen use efficiency (pNUE) in two photoperiod-sensitive sorghum hybrids under two N rates (0 and 168 kg-N ha −1 ) across multiple environments in Texas and Illinois. Leaf N concentrations increased with plant height in the canopy with steeper gradients under low-N conditions, indicating enhanced N remobilization when N is limited. Stem tissue showed less variation in N concentration across canopy nodal positions, with within-plant differences ranging from 1.2 to 7.6 g kg −1 , compared to 3.1 to 16.3 g kg −1 in leaves. While pNUE was generally higher under unfertilized conditions, it varied largely by site; however, genotypic differences were minimal within the given year. These results highlight the importance of integrating environmental and management factors into breeding and fertilization strategies to enhance N efficiency in high-biomass sorghum.

60 APPLIED LIFE SCIENCES↗