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A moving morphable component‐based topology optimization approach considering transient structural dynamic responses

Abstract A novel approach is developed under the moving morphable component (MMC) framework to solve topology optimization problems considering transient structural dynamic responses, where the structure for optimization is constructed with a collection of structural components, and the structural layout can be described explicitly via only a small number of design variables characterizing the positions and geometries of the components. The transient dynamic response of the structure and corresponding sensitivities are computed via step‐by‐step numerical integration and mode reduction technique is also employed to enhance the computational efficiency. Compared with existing works, the numerical instabilities induced by localized vibration modes can be substantially alleviated and the computational effort for direct sensitivity analysis is significantly reduced in the proposed approach. Two and three‐dimensional numerical examples considering the cases of nonproportional damping mechanism and time‐varying mass are also provided to manifest the validity of the proposed approach.

Li, Jialin↗

Paired Simulations and Experimental Investigations into the Calcium-Dependent Conformation of Albumin

Serum albumin is the most abundant protein in blood plasma, and it is involved in multiple biological processes. Serum albumin has recently been adapted for improving biomaterial integration with bone tissue, and studies have shown the importance of this protein in bone repair and regeneration. However, the mechanism of action is not yet clear. In stark contrast, other studies have demonstrated that albumin blocks cell adhesion to surfaces, which is seen as a limitation to its bone healing role. These apparent contradictions suggest that the conformation of albumin facilitates its bioactivity, leading to enhanced bone repair. Serum albumin is known to play a major role in maintaining the calcium ion concentration in blood plasma. Due to the prevalence of calcium at bone repair and regeneration sites, it has been hypothesized that calcium binding to serum albumin triggers a conformational change, leading to bioactivity. In the current study, molecular modeling approaches including molecular docking, atomic molecular dynamics (MD) simulation, and coarse-grained MD simulation were used to test this hypothesis by investigating the conformational changes induced in bovine serum albumin by interaction with calcium ions. The computational results were qualitatively validated with experimental Fourier-transform infrared spectroscopy analysis. We find that free calcium ions in solution transiently bind with the three major loops in albumin, triggering a conformational change where N-terminal and C-terminal domains separate from each other in a partial unfolding process. The separation distance between these domains was found to correlate with the calcium ion concentration. The experimental data support the simulation results showing that albumin has enhanced conformational heterogeneity upon exposure to intermediate levels of calcium, without any significant secondary structure changes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tracking the Light-Induced Excited-State Dynamics and Structural Configurations of an Extraordinarily Long-Lived Metastable State at Room Temperature

Time-resolved X-ray (Tr-XAS) and optical transient absorption (OTA) spectroscopy in the pico-microsecond time scale coupled with Density Functional theory calculations are applied to study the light-induced spin crossover processes of a Fe-based macrocyclic complex in solution. Tr-XAS analysis after light illumination shows the formation of a seven-coordinated high spin quintet metastable state which relaxes to a six-coordinated high spin configuration before decaying to ground state. Kinetic analysis of the macrocyclic complex reveals an unprecedented long-lived decay lifetime of ~42.6 µs. Comparative studies with a non-macrocyclic counterpart illustrate a significantly shortened ~568-old decay lifetime of ~75 ns, and highlight the importance of the ligand arrangement in stabilizing the reactivity of the excited state. Lastly, OTA analysis shows the seven-coordinated high spin state to be formed within ~6.2 ps. Finally, these findings provide a complete understanding of the spin crossover reaction and relaxation pathways of the macrocyclic complex, and reveal the importance of a flexible coordination environment for their rational design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Direct Observation of Elusive (DTBM‐SEGPHOS)CuH Monomer Enables Mechanistic Insights Into Hydrocupration, Aggregation, and Dynamics of Alkene Functionalization Catalysis

The bulky diphosphine DTBM-SEGPHOS is widely employed in CuH-catalyzed transformations as it provides remarkably active catalyst systems. The transient (DTBM-SEGPHOS)CuH monomer (LCuH) is the often-invoked active species. However, its instability has prevented spectroscopic characterization and mechanistic elucidation, hindering mechanistic understanding. We report low-temperature NMR spectroscopic characterization of LCuH, enabling quantitative kinetic analysis of the stoichiometric hydrocupration and catalytic hydroboration of cyclopentene, as well as the structural identification of two CuH clusters. LCuH inserts cyclopentene at −43°C, reaffirming its high reactivity toward olefins. LCuH deactivates to form L 2 Cu 3 H 3 and L 2 Cu 4 H 4 clusters, in which LCuH dimerization initiates aggregation. Kinetic analysis of reactions of unactivated alkenes indicates that competing on-cycle alkene hydrocupration and LCuH dimerization impact performance, as catalyst deactivation and turnover occur on comparable timescales. Structure–activity analysis using atomistic simulations shows that the steric profile of DTBM-SEGPHOS increases the CuH dimerization barrier by ∼7.7 kcal mol−1 compared to that of SEGPHOS, rationalizing the unique ability of DTBM-SEGPHOS to stabilize a reactive monomer for hydrocupration of broader alkene substrates. These findings illustrate the fundamental design principle that steric control of aggregation governs CuH catalyst performance, explaining both the exceptional activity of (DTBM-SEGPHOS)CuH and the limitations imposed by competing deactivation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Large-Area (Ag,Cu)(In,Ga)Se 2 Thin-Film Solar Cells with Increased Bandgap and Reduced Voltage Losses Realized with Bulk Defect Reduction and Front-Grading of the Absorber Bandgap

The 1.24 eV bandgap, 18.8% power conversion efficiency Ag-alloyed chalcopyrite (Ag,Cu)(In,Ga)Se 2 (ACIGS) solar cells are characterized to relate voltage and efficiency improvements to electro-optical (EO) characteristics. Shockley-Read-Hall recombination center defect density, identified and characterized through deep level transient spectroscopy and time-resolved photoluminescence (TRPL), is reduced through potassium and copper treatment optimization. Concomitantly, longer minority carrier lifetimes are achieved, which increases open-circuit voltage (V OC ). Near-conduction band defects associated in earlier studies with light-induced current instability are also mitigated. Analysis of charge-carrier dynamics after single- and two-photon excitation is used to separate recombination at the front interface and in the absorber bulk. From TRPL decay simulations, the authors estimate ranges of key solar cell material characteristics: bulk carrier lifetime T bulk = 110-210 ns, charge-carrier mobility u = 110-160 cm 2 V -1 s -1 , and front interface recombination velocity S front = 700-1050 cm s -1 . This lowest-reported S front for ACIGS absorbers originates from the notched conduction band grading, which also makes the impact of the back interface recombination negligible. It is suggested in the results that solar cell performance enhancements can be made most readily with two distinct strategies: improving device architecture and reducing semiconductor defect densities. Using these approaches, power conversion efficiency in large-area solar cells is improved by 1.1% absolute.

14 SOLAR ENERGY↗

ORBUMP Pulsed Dipole Magnet Design for Fermilab Booster

Fermilab initiated the accelerator magnet system upgrade project PIP-II for future neutrino experiments. Old ORBUMP pulsed dipoles should be replaced with new stronger magnets occupying the same space as old ones. Four of these magnets connected in series form dogleg type of proton beam orbit. The magnet field and 19 kA current pulse length are close to 1 ms. Old magnet cores were based on a ferrite material. For new magnets, a magnet gap field is above 0.4 T, which completely saturates ferrite material. So, for the magnet core, 0.127 mm thick laminations of low carbon steel with inorganic coating, as the magnet were placed in a vacuum box. There were investigated transient magnet parameters including skin effect in the iron core and in the single-turn copper coil. The integrated field homogeneity was improved by the copper coil shimming. Simulated by OPERA3D power losses were used for the thermal analysis by ANSYS code. The magnet performance is strongly coupled with the power source. The dynamic magnet inductance and resistance were included in the pulsed power source design. Finally, the paper presented the ORBUMP magnet system design.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

On the validity and limitations of 1D model for heat and mass transfer performance evaluation in a multilayer binder-free desiccant dehumidifier: isothermal dehumidification with internal cooling

Efficient humidity control is essential for maintaining indoor thermal comfort, yet conventional vapor-compression-based dehumidifiers are energy-intensive. Employing separate sensible and latent cooling through desiccant-coated heat exchangers (DCHEs) combined with evaporative coolers offers energy savings of up to 80 % compared to conventional systems. However, the dehumidification performance of DCHEs remains limited due to the use of polymer binders for coating desiccant materials onto heat exchange surfaces. In our previous study, we developed a multilayer fixed-bed binder-free desiccant dehumidifier (MFBDD) that demonstrated high dehumidification capacity and low pressure drop compared to rotary desiccant wheels. Nevertheless, its potential for further enhancement through internal cooling and the use of step-shaped adsorption isotherms has not been explored. In this study, a physics-based one-dimensional (1D) transient model is developed and validated to capture the coupled heat and mass transfer processes in the MFBDD and extended to simulate internal cooling using a high-capacity composite metal–organic framework, MIL-101/GO-6 (water uptake ≈1.6 g/g within 35–47 % RH). The model enables detailed analysis of local air and bed temperature dynamics and quantifies how internal cooling affects the dehumidification performance under a wide range of operating conditions. Results show that integrating internal cooling and using MIL-101/GO-6 enhance mass adsorbed, moisture removal capacity, and dehumidification effectiveness by 50 %–99 % compared with the M.S. Gel baseline. The study further reveals that achieving near-isothermal operation requires simultaneous enhancement of the convective heat transfer coefficient and heat exchange surface area. In conclusion, this work provides the first detailed physical insight into the interplay between internal cooling and step-shaped isotherms in a binder-free desiccant device and establishes a validated modeling framework for scaling up and system-level performance evaluation of next-generation energy-efficient dehumidification systems.

Heat and mass transfer↗

Development and Validation of SAM Multi-dimensional Flow Model for Thermal Mixing and Stratification Modeling

Thermal mixing and stratification in large pools or enclosures are very important phenomena that are critical to nuclear reactor safety. Because of the wide ranges of time and length scales associated with such phenomena, accurate modeling and simulation of thermal mixing and stratification remain as the key unresolved, challenging problems for reactor transient analyses. In traditional system analysis codes, simplified zero-dimensional (0-D) models are widely used for their high numerical efficiency, but they generally suffer from very limited prediction accuracies or range of applicability. Like traditional system analysis codes, the current version of the SAM code has implemented such simplified 0-D and one-dimensional mixing models. On the other hand, high-resolution Computational Fluid Dynamics (CFD) tools are often used to model complex thermal mixing and stratification phenomena. They are, however, generally numerically expensive, and they require large amounts of computational resources. It is therefore desirable to implement advanced and efficient thermal mixing and stratification modeling capabilities embedded in a system analysis code. This approach will improve the accuracy of reactor safety analyses when thermal mixing and stratification are involved, and also avoid using the large computational resources needed for high-resolution CFD analysis. Currently, with the support of the U.S. DOE Office of Nuclear Energy’s Nuclear Energy Advanced Modeling and Simulation program, an effort has been launched to develop and implement a multi-dimensional flow model in the system analysis code SAM, and demonstrate its applications to model thermal mixing and stratification phenomena in large enclosures. The main outcomes of this research and development activity are summarized in this report, which presents an attempt to include a built-in advanced multi-dimensional flow model in a system analysis code with the focus on overcoming the simulation challenges of thermal mixing and stratification phenomena. In this report, we start with the introduction of existing SAM code capabilities to simulate thermal mixing and stratification phenomena, which is followed by a short summary of the multi-dimensional model implemented in the SAM code, including both the physical model and the Finite Element Method code implementation. In this study, two options were implemented in the SAM code to model turbulent flows: a relatively simple built-in turbulence model and an interface to accept externally computed turbulent viscosities (e.g., from a high- resolution CFD simulation). Code validation studies on this newly added capability were then carried out to compare SAM simulation results with experimental data from the SUPERCAVNA facility, which was designed to study the complex flow recirculation and thermal stratification phenomena relevant to sodium fast reactor designs. In this study, one transient and two steady-state test cases were used for code validation. Different approaches have been used to model the complex turbulence flow fields in the SUPERCAVNA facility. A highly simplified zero-equation turbulence model was first used, but it was determined that it is too simple to capture the complex turbulence flow fields in these test cases. Subsequently, the code validation continued with the use of turbulent viscosity data from high-resolution STAR-CCM+ CFD simulations to improve the accuracy of the results. Using this approach, the SAM simulation results showed very good agreement with both the SUPERCAVNA experimental data and STAR-CCM+ simulation results. In this report, we demonstrate the development, implementation, and successful validation of a multi-dimensional flow model in the SAM code, which aims to improve the simulation accuracy for complex thermal mixing and stratification phenomena. Lessons have also been learned, including that in cases where the flow fields are not well predicted by the zero-equation model, the iinput of turbulent viscosities from an external source can enhance the overall predictive capabilities needed to accurately capture complex thermal-hydraulic phenomena. Therefore, future research will be needed to further improve the code’s capabilities, such as by developing a more efficient and robust approach to capture the turbulence effects in the SAM code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Detecting hidden transient events in noisy nonlinear time-series

The information impulse function (IIF), running Variance, and local Hölder Exponent are three conceptually different time-series evaluation techniques. These techniques examine time-series for local changes in information content, statistical variation, and point-wise smoothness, respectively. Using simulated data emulating a randomly excited nonlinear dynamical system, this study interrogates the utility of each method to correctly differentiate a transient event from the background while simultaneously locating it in time. Computational experiments are designed and conducted to evaluate the efficacy of each technique by varying pulse size, time location, and noise level in time-series. Our findings reveal that, in most cases, the first instance of a transient event is more easily observed with the information-based approach of IIF than with the Variance and local Hölder Exponent methods. While our study highlights the unique strengths of each technique, the results suggest that very robust and reliable event detection for nonlinear systems producing noisy time-series data can be obtained by incorporating the IIF into the analysis.

42 ENGINEERING↗

Nuclear Safety [Vol. 36, No. 2, July-December 1995]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. THE CHORNOBYL ACCIDENT: 195 The Chornobyl Accident Revisited, Part III: Chernobyl Source Term Release Dynamics and Reconstruction of Events During the Active Phase, A. R. Sich; GENERAL SAFETY CONSIDERATIONS: 218 Second ANS Workshop on the Safety of Soviet-Designed Nuclear Power Plants, R. A. Bari; 234 Elements of a Nuclear Criticality Safety Program, C. M. Hopper; 243 Rickover, Excellence, and Criticality Safety Programs, R. E. Wilson; ACCIDENT ANALYSIS: 249 Transient Analysis of the PIUS Advanced Reactor Design with the TRAC-PF1/MOD2 Code, B. E. Boyack, J. L Steiner, S. C. Harmony, H. J. Stumpf, and J. F. Lime; 278 The Hierarchy-By-Interval Approach to Identifying Important Models that Need Improvement in Severe-Accident Simulation Codes, T. J. Heames, M. Khatib-Rahbar, J. E. Kelly, R. P. Jenks-Johnson, and Y.-S. Chen; 290 RELAP5/MOD3 Code Coupling Model, R. P. Martin; 299 Missiles Caused by Severe Pressurized-Water Reactor Accidents, R. Krieg; DESIGN FEATURES: 310 Validation of COMMIX with Westinghouse AP-600 PCCS Test Data, J. G. Sun, T. H. Chien, J. Ding, and W T. Sha; ENVIRONMENTAL EFFECTS: 321 Spent Nuclear Fuel Characterization for a Bounding Reference Assembly for the Receiving Basin for Off-Site Fuel, S. D. Kahook, R. L. Garrett, L. R. Canas, and M J. Beckum; OPERATING EXPERIENCES: 332 Reactor Shutdown Experience, Compiled by J. W. Cletcher; U.S. NUCLEAR REGULATORY COMMISSION INFORMATION AND ANALYSES: 335 Reactor Coolant System Blowdown at Wolf Creek on September 17, 1994, J. V. Kauffman and S. L. Israel; RECENT DEVELOPMENTS: 344 Reports, Standards, and Safety Guides, D. S. Oueener; 349 Proposed Rule Changes as of June 30, 1995; ANNOUNCEMENTS: 320 Symposium on Acceptability of Risk From Radiation—Application to Manned Space Flight; 320 24th DOE/NRC Nuclear Air Cleaning and Treatment Conference; 361 Radiation Biology and Radiation Protection— Modern Developments and Tendencies in Radiation Biology; 362 1997 IEEE Sixth Conference on Human Factors and Power Plants; 354 The Authors; 360 Reviewers of Nuclear Safety, Vol. 36.

05 NUCLEAR FUELS↗

Nuclear Safety [Vol. 36, No. 2, July-December 1995]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. THE CHORNOBYL ACCIDENT: 195 The Chornobyl Accident Revisited, Part III: Chernobyl Source Term Release Dynamics and Reconstruction of Events During the Active Phase, A. R. Sich; GENERAL SAFETY CONSIDERATIONS: 218 Second ANS Workshop on the Safety of Soviet-Designed Nuclear Power Plants, R. A. Bari; 234 Elements of a Nuclear Criticality Safety Program, C. M. Hopper; 243 Rickover, Excellence, and Criticality Safety Programs, R. E. Wilson; ACCIDENT ANALYSIS: 249 Transient Analysis of the PIUS Advanced Reactor Design with the TRAC-PF1/MOD2 Code, B. E. Boyack, J. L Steiner, S. C. Harmony, H. J. Stumpf, and J. F. Lime; 278 The Hierarchy-By-Interval Approach to Identifying Important Models that Need Improvement in Severe-Accident Simulation Codes, T. J. Heames, M. Khatib-Rahbar, J. E. Kelly, R. P. Jenks-Johnson, and Y.-S. Chen; 290 RELAP5/MOD3 Code Coupling Model, R. P. Martin; 299 Missiles Caused by Severe Pressurized-Water Reactor Accidents, R. Krieg; DESIGN FEATURES: 310 Validation of COMMIX with Westinghouse AP-600 PCCS Test Data, J. G. Sun, T. H. Chien, J. Ding, and W T. Sha; ENVIRONMENTAL EFFECTS: 321 Spent Nuclear Fuel Characterization for a Bounding Reference Assembly for the Receiving Basin for Off-Site Fuel, S. D. Kahook, R. L. Garrett, L. R. Canas, and M J. Beckum; OPERATING EXPERIENCES: 332 Reactor Shutdown Experience, Compiled by J. W. Cletcher; U.S. NUCLEAR REGULATORY COMMISSION INFORMATION AND ANALYSES: 335 Reactor Coolant System Blowdown at Wolf Creek on September 17, 1994, J. V. Kauffman and S. L. Israel; RECENT DEVELOPMENTS: 344 Reports, Standards, and Safety Guides, D. S. Oueener; 349 Proposed Rule Changes as of June 30, 1995; ANNOUNCEMENTS: 320 Symposium on Acceptability of Risk From Radiation—Application to Manned Space Flight; 320 24th DOE/NRC Nuclear Air Cleaning and Treatment Conference; 361 Radiation Biology and Radiation Protection— Modern Developments and Tendencies in Radiation Biology; 362 1997 IEEE Sixth Conference on Human Factors and Power Plants; 354 The Authors; 360 Reviewers of Nuclear Safety, Vol. 36.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Network Uncertainty Quantification for Analysis of Multi-Component Systems

To impact physical mechanical system design decisions and realize the full promise of high-fidelity computational tools, simulation results must be integrated at the earliest stages of the design process. This is particularly challenging when dealing with uncertainty and optimizing for system-level performance metrics, as full-system models (often notoriously expensive and time-consuming to develop) are generally required to propagate uncertainties to system-level quantities of interest. Methods for propagating parameter and boundary condition uncertainty in networks of interconnected components hold promise for enabling design under uncertainty in real-world applications. These methods avoid the need for time consuming mesh generation of full-system geometries when changes are made to components or subassemblies. Additionally, they explicitly tie full-system model predictions to component/subassembly validation data which is valuable for qualification. These methods work by leveraging the fact that many engineered systems are inherently modular, being comprised of a hierarchy of components and subassemblies that are individually modified or replaced to define new system designs. By doing so, these methods enable rapid model development and the incorporation of uncertainty quantification earlier in the design process. The resulting formulation of the uncertainty propagation problem is iterative. We express the system model as a network of interconnected component models, which exchange solution information at component boundaries. We present a pair of approaches for propagating uncertainty in this type of decomposed system and provide implementations in the form of an open-source software library. We demonstrate these tools on a variety of applications and demonstrate the impact of problem-specific details on the performance and accuracy of the resulting UQ analysis. This work represents the most comprehensive investigation of these network uncertainty propagation methods to date.

42 ENGINEERING↗

Coherences of Photoinduced Electron Spin Qubit Pair States in Photosystem I

Here, this publication presents the first comprehensive experimental study of electron spin coherences in photosynthetic reaction center proteins, specifically focusing on photosystem I (PSI). The ultrafast electron transfer in PSI generates spin-correlated radical pairs (SCRPs), which are entangled spin pairs formed in well-defined spin states (Bell states). Since their discovery in our group in the 1980s, SCRPs have been extensively used to enhance our understanding of structure–function relationships in photosynthetic proteins. More recently, SCRPs have been utilized as tools for quantum sensing. Electron spin decoherence poses a significant challenge in realizing practical applications of electron spin qubits, particularly the creation of quantum entanglement between multiple electron spins. This work is focused on the systematic characterization of decoherence in SCRPs of PSI. These decoherence times were measured as electron spin echo decay times, termed phase memory times (T M ), at various temperatures. Decoherence was recorded on both transient SCRP states P 700 + A 1 – and thermalized states. Our study reveals that T M exhibits minimal dependence on the biological species, biochemical treatment, and paramagnetic species. The analysis indicates that nuclear spin diffusion and instantaneous diffusion mechanisms alone cannot explain the observed decoherence. As a plausible explanation we discuss the assumption that the low-temperature dynamics of methyl groups in the protein surrounding the unpaired electron spin centers is the main factor governing the loss of the spin coherence in PSI.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impact Analysis of Data Integrity Attacks on FACTS-based Wide-Area Voltage Control System

Energy management system (EMS) consists of several wide-area control applications that serve as a backbone for security, stability, and reliability of the power system. Wide-area voltage control system (WAVCS), one of the critical wide-area applications, operates in coordination with local Flexible AC Transmission System (FACTS) devices to provide voltage security and optimal management of active and reactive power resources. Since the WAVCS relies on wide-area communication and data sharing devices, possible cybersecurity vulnerabilities have to be addressed to ensure the closed-loop operation of WAVCS. In this paper, we present a methodology for performing an impact analysis of cyber-attacks in WAVCS cybersecurity. In particular, different types of data integrity attacks, such as malicious tripping, fault replay, and signal altering attacks, are considered, and detailed impact analysis is conducted in a testbed environment using the Kundur's four machine two-area system. For performing an impact analysis, the transient voltage stability of the sensitive bus voltage is studied, followed by the quantitative assessment and severity ranking using the voltage profile index. Our experimental evaluation reveals that the data integrity attacks on control signals exhibit a higher attack severity than on the measurement signals. Further, the severity of these attacks varies with nature (static or dynamic), location, and types of attacks.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Oxic–anoxic cycling promotes coupling between complex carbon metabolism and denitrification in woodchip bioreactors

Denitrifying woodchip bioreactors (WBRs) are increasingly used to manage the release of non-point source nitrogen (N) by stimulating microbial denitrification. Woodchips serve as a renewable organic carbon (C) source, yet the recalcitrance of organic C in lignocellulosic biomass causes many WBRs to be C-limited. Prior studies have observed that oxic–anoxic cycling increased the mobilization of organic C, increased nitrate (NO 3 – ) removal rates, and attenuated production of nitrous oxide (N 2 O). Here, in this work, we use multi-omics approaches and amplicon sequencing of fungal 5.8S-ITS2 and prokaryotic 16S rRNA genes to elucidate the microbial drivers for enhanced NO 3 – removal and attenuated N 2 O production under redox-dynamic conditions. Transient oxic periods stimulated the expression of fungal ligninolytic enzymes, increasing the bioavailability of woodchip-derived C and stimulating the expression of denitrification genes. Nitrous oxide reductase (nosZ) genes were primarily clade II, and the ratio of clade II/clade I nosZ transcripts during the oxic–anoxic transition was strongly correlated with the N 2 O yield. Analysis of metagenome-assembled genomes revealed that many of the denitrifying microorganisms also have a genotypic ability to degrade complex polysaccharides like cellulose and hemicellulose, highlighting the adaptation of the WBR microbiome to the ecophysiological niche of the woodchip matrix.

59 BASIC BIOLOGICAL SCIENCES↗

Atmospheric teleconnection processes linking winter air stagnation and haze extremes in China with regional Arctic sea ice decline

Abstract. Recent studies suggested significant impacts of boreal cryosphere changes on wintertime air stagnation and haze pollution extremes in China. However, the underlying mechanisms of such a teleconnection relationship remains unclear. Here we use the Whole Atmosphere Community Climate Model (WACCM) to investigate dynamic processes leading to atmospheric circulation and air stagnation responses to Arctic sea ice changes. We conduct four climate sensitivity experiments by perturbing sea ice concentrations (SIC) and corresponding sea surface temperature (SST) in autumn and early winter over the whole Arctic and three subregions in the climate model. The results indicate distinct responses in circulation patterns and regional ventilation to the region-specific Arctic changes, with the largest increase of both the probability (by 132 %) and the intensity (by 30 %) of monthly air stagnation extremes being found in the experiment driven by SIC and SST changes over the Pacific sector of the Arctic (the East Siberian and Chukchi seas). The increased air stagnation extremes are mainly driven by an amplified planetary-scale atmospheric teleconnection pattern that resembles the negative phase of the Eurasian (EU) pattern. Dynamical diagnostics suggest that convergence of transient eddy forcing in the vicinity of Scandinavia in winter is largely responsible for the amplification of the teleconnection pattern. Transient eddy vorticity fluxes dominate the transient eddy forcing and produce a barotropic anticyclonic anomaly near Scandinavia and wave train propagation across Eurasia to the downstream regions in East Asia. The piecewise potential vorticity inversion analysis reveals that this long-range atmospheric teleconnection of Arctic origin takes place primarily via the middle and upper troposphere. The anomalous ridge over East Asia in the middle and upper troposphere worsens regional ventilation conditions by weakening monsoon northwesterlies and enhancing temperature inversions near the surface, leading to more and stronger air stagnation and pollution extremes over eastern China in winter. Ensemble projections based on state-of-the-art climate models in the Coupled Model Intercomparison Project Phase 6 (CMIP6) corroborate this teleconnection relationship between high-latitude environmental changes and midlatitude weather extremes, though the tendency and magnitude vary considerably among each participating model.

54 ENVIRONMENTAL SCIENCES↗

A Conceptual Design of the Reactor Cavity Cooling System for the Horizontal Compact High Temperature Gas Reactor (HC-HTGR)

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR in 3 years and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. This report documents the design study to derive a conceptual design study of the RCCS for the HC-HTGR. It includes the identification of the functions and requirements of the HC-HTGR RCCS, design analyses including high-level design consideration and the calculations for optimizing design space of the system with supporting component-level analysis to inform the material selection and performance of the water panel, the description of the conceptual design of the HC-HTGR RCCS derived based on the analyses results, and performance evaluation of the conceptual RCCS for the HC-HTGR. A detailed concept of the RCCS has been identified and high-level system requirements has been developed for the HC-HTGR. Design space focusing on the natural circulation loop portion of the RCCS has been investigated to optimize the system performance. The initial baseline dimensions were firstly derived based on the scoping calculations. A component level design analysis was conducted for the water panel to inform the material selection and to assess its conduction performance. A preliminary system-level performance analysis was performed for the 1/8th of the compartment of the initial baseline design of the RCCS using RELAP5-3D. To improve the system thermal performance, the RCCS design has been updated by exploring various design options by design parametric analyses. Based on the results, the conceptual design of the RCCS for the HC-HTGR has been derived, which satisfies the target performance of ~1 MWt at the elevated vessel wall temperature conditions. Transient simulations were conducted for the conceptual RCCS design for the HC-HTGR under various operation modes and heat load conditions using RELAP5-3D. The system dynamics in different operating states was investigated and the system performance under transients of interest was evaluated. The results demonstrated the overall system feasibility that the RCCS design maintains structures temperatures lower than maximum allowable temperature with sufficient system inventory without any active heat removal in the design process with certain transients addressed. The HC-HTGR RCCS will have additional design updates of subsystems or optimization of the system components during the preliminary and final design phases. Since the entire plant has not been integrated yet, this delivered conceptual design is subject to changes for integration, that require additional conceptual design activities and Quality and Assurance implementation (Q&A). The performance assessment of the RCCS for the HC-HTGR will be then revisited and optimized to finalize the system design, and the RCCS integrated primary system analysis will be utilized to simulate selective accident scenarios of interest where efforts are currently undergoing in the project.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Electromagnetic Transient Modeling of Large Data Centers for Grid-Level Studies: Beta Release

The magnitude and complexity of electricity usage patterns from large data centers are having significant impacts on the operation and dynamics of the power grid; grid operators and planners require a range of specialized data center models to properly evaluate these impacts and specify technical solutions as needed. Towards addressing this need, Pacific Northwest National Laboratory (PNNL) has developed a library of electromagnetic transient (EMT) models for grid-level studies of data centers called the data center model library (DML). This report describes how the DML was created and how it may properly be used. This report details the DML’s beta release, completed in July 2026. This is a revision and expansion of the alpha release, which was made available in January 2026 The models present in the DML are generic models; subject matter expertise and additional technical data are needed to modify these models before they can represent any real data center. However, they will significantly reduce the level of effort required to develop site-specific models and can serve as a common starting point to guide industry towards a more refined consensus. Most of the models within DML are dedicated to representing the power electronics interfaces commonly used in modern data centers, such as double-conversion uninterruptible power supplies and single-phase power factor correction converters. These models are intended for use in grid-level studies and are a simplified aggregation of many small components. That said, background material on the physical and electrical design of large data centers is provided as companion material so that users can be aware of many of the details which have been omitted or streamlined as a matter of practical necessity. Additionally, guidance on the application of EMT analysis for data center interconnection studies is provided, which aids users in identifying when the DML is necessary and what sort of additional model development may be necessary for conducting real-world studies.

electromagnetic transients↗