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At least 1,225 records · Page 68

Dominant balance-based adaptive mesh refinement for incompressible fluid flows

This work introduces a novel adaptive mesh refinement (AMR) method that utilizes dominant balance analysis (DBA) for efficient and accurate grid adaptation in computational fluid dynamics (CFD) simulations. The proposed method leverages a Gaussian mixture model (GMM) to classify grid cells into active and passive regions based on the dominant physical interactions within the equation space. By modeling truncation error probabilistically from discretized terms, the method identifies regions of high interaction where numerical accuracy is most sensitive to resolution. Unlike traditional AMR strategies, this approach does not rely on heuristic-based sensors or user-defined thresholds, providing a fully automated and problem-independent framework for AMR. Applied to the incompressible Navier-Stokes equations for steady and unsteady flow past a cylinder, the DBA-based AMR method achieves comparable accuracy to high-resolution grids while reducing computational costs by up to 70 %. The validation highlights the method’s effectiveness in capturing complex flow features while minimizing grid cells, directing computational resources toward regions with the most critical dynamics. This modular and scalable strategy is adaptable to a wide range of applications, presenting a promising tool for efficient high-fidelity simulations in CFD and other multiphysics domains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Numerical simulation of vortex-induced vibration response of a single IEA 10-MW wind turbine blade

Three-dimensional simulation of vortex-induced vibration (VIV) of a single International Energy Agency (IEA) 10-MW reference wind turbine blade with a length of 97.325 m is performed using the ExaWind stack, an open-source suite of codes. This study aims to illustrate the spanwise VIV response characteristics and cross-validate the results with an existing commercial framework. Five near-body meshes and three time steps are selected for the convergence study. To improve computational efficiency, several VIV triggering methods are also compared to shorten the VIV development period. The ExaWind-based VIV simulation strategy for a single IEA 10-MW blade is determined. First, the modal shape is validated against published results. Then, spanwise VIV responses of four blade configurations under a fixed and varied incoming flow velocity are analyzed. Results show that the VIV response is dominated by the first edgewise (second overall) mode. Little first-mode contributions appear near the second-mode node, producing a pi phase jump, and a higher harmonics response occurs near the blade root. Rotational degrees of freedom are minor compared with translational motion. The response versus reduced velocity is analyzed, showing a two-branch behavior similar to that of VIV for a bluff cylinder. Across all tested cases, the dominant frequency remains locked to the natural frequency of the second mode with no observed desynchronization. A mild deviation is observed for the case of 90-degree pitch and 310-degree azimuth rotation near a reduced velocity of 6, which will be examined with additional cases in future work. These findings indicate that severe VIV responses can arise under specific configurations and flow conditions, thereby increasing the potential for VIV fatigue damage and requiring greater attention during operation.

17 WIND ENERGY↗

Modeling inclusive electron-nucleus scattering with Bayesian artificial neural networks

We introduce a Bayesian protocol based on artificial neural networks that is suitable for modeling inclusive electron-nucleus scattering on a variety of nuclear targets with quantified uncertainties. Unlike previous applications in the field, which directly parameterize the cross sections, our approach employs artificial neural networks to represent the longitudinal and transverse response functions. In contrast to cross sections, which depend on the incoming energy, scattering angle, and energy transfer, the response functions are determined solely by the energy and momentum transfer to the system, allowing the angular component to be treated analytically. We assess the accuracy and predictive power of our framework against the extensive data in the quasielastic inclusive electron-scattering database. Additionally, we present novel extractions of the longitudinal and transverse response functions and compare them with previous experimental analysis and nuclear ab-initio calculations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Effect of Thomas Rotation on the Lorentz Transformation of Electromagnetic fields

A relativistic particle undergoing successive boosts which are non collinear will experience a rotation of its coordinate axes with respect to the boosted frame. This rotation of coordinate axes is caused by a relativistic phenomenon called Thomas Rotation. We assess the importance of Thomas rotation in the calculation of physical quantities like electromagnetic fields in the relativistic regime. We calculate the electromagnetic field tensor for general three dimensional successive boosts in the particle’s rest frame as well as the laboratory frame. We then compare the electromagnetic field tensors obtained by a direct boost β δβ → + → and successive boosts β → and Δβ → and check their consistency with Thomas rotation. This framework might be important to situations such as the calculation of frequency shifts for relativistic spin1/2 particles undergoing Larmor precession in electromagnetic fields with small field non-uniformities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Photoinduced charge transfer in Zn(II) and Au(III)-ligated symmetric and asymmetric bacteriochlorin dyads: A computational study

The excited-state properties and photoinduced charge-transfer (CT) kinetics in a series of symmetrical and asymmetrical Zn- and Au-ligated meso–meso-connected bacteriochlorin (BChl) complexes are studied computationally. BChl derivatives, which are excellent near-IR absorbing chromophores, are found to play a central role in bacterial photosynthetic reaction centers but are rarely used in artificial solar energy harvesting systems. The optical properties of chemically linked BChl complexes can be tuned by varying the linking group and involving different ligated metal ions. We investigate charge transfer in BChl dyads that are either directly linked or through a phenylene ring (1,4- phenylene) and which are ligating Zn or Au ions. The directly linked dyads with a nearly perpendicular arrangement of the BChl units bear markedly different properties than phenylene linked dyads. In addition, we find that the dielectric dependence of the intramolecular CT rate is very strong in neutral Zn-ligated dyads, whereas cationic Au-ligated dyads show negligible dielectric dependence of the CT rate. Rate constants of the photo induced CT process are calculated at the semiclassical Marcus level and are compared to fully quantum mechanical Fermi’s golden rule based values. The rates are calculated using a screened range separated hybrid functional that offers a consistent framework for addressing environment polarization. We study solvated systems in two solvents of a low and a high scalar dielectric constant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Detailed simulations of the first deuterium-tritium-filled double shell implosions on the National Ignition Facility

The first indirectly driven, liquid DT-filled double shell inertial confinement fusion (ICF) implosions have recently been successfully performed on the National Ignition Facility (NIF). Double shells are a class of alternative designs that use a low-Z outer shell to compress a foam cushion that accelerates a high-Z inner shell to efficiently compress a liquid DT core. Double shells are challenging to fabricate, field, and model. Important engineering features enabling double shell fabrication include a fill-tube penetrating all shells and a carefully designed and very narrow (few μm) step-joint in the ablator. Due to the higher density materials involved, high Atwood number instabilities are also important at many material interfaces. In this paper, numerical simulations of double shell implosions using the Los Alamos National Laboratory multi-physics radiation-hydrodynamics code xRAGE will be discussed. An extensive effort has been under way for several years to develop the code capabilities for ICF simulations in a common modeling framework to allow ease of simulation setup and standardization of the computational methodology. This paper will present a wide range of simulation results capturing, quantifying, and comparing the impact of all these degradation mechanisms on implosion performance. Brief comparisons with recent experimental results and suggestions for future improvements will also be discussed. Our results suggest that capsule surface roughness and the step-joint gap have the largest impact on implosion performance. Initial experimental data may suggest that the sensitivity to the step-joint gap could provide the dominant explanation for DT-filled double shell experiments that have been fielded on NIF thus far.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Wind turbine blade design with airfoil shape control using invertible neural networks

Wind turbine blade design is a highly multidisciplinary process that involves aerodynamics, structures, controls, manufacturing, costs, and other considerations. More efficient blade designs can be found by controlling the airfoil cross-sectional shapes simultaneously with the bulk blade twist and chord distributions. Prior work has focused on incorporating panel-based aerodynamic solvers with a blade design framework to allow for airfoil shape control within the design loop in a tractable manner. Including higher fidelity aerodynamic solvers, such as computational fluid dynamics, makes the design problem computationally intractable. In this work, we couple an invertible neural network trained on high-fidelity airfoil aerodynamic data to a turbine design framework to enable the design of airfoil cross sections within a larger blade design problem. We detail the methodology of this coupled framework and showcase its efficacy by aerostructurally redesigning the IEA 15-MW reference wind turbine blade. The coupled approach reduces the cost of energy by 0.9% compared to a more conventional design approach. This work enables the inclusion of high-fidelity aerodynamic data earlier in the design process, reducing cycle time and increasing certainty in the performance of the optimal design.

17 WIND ENERGY↗

Optimized pulsed sideband cooling and enhanced thermometry of trapped ions

Resolved sideband cooling is a standard technique for cooling trapped ions below the Doppler limit to near their motional ground state. Yet the most common methods for sideband cooling implicitly rely on low Doppler-cooled temperatures and tightly confined ions and they cannot be optimized for different experimental conditions. Here we introduce a framework which calculates the fastest possible pulsed sideband cooling sequence for a given number of pulses and set of experimental parameters and we verify its improvement compared to traditional methods using a trapped 171 Yb + ion. After extensive cooling, we find that the ion motional distribution is distinctly nonthermal and thus not amenable to standard thermometry techniques. We therefore develop and experimentally validate an improved method to measure ion temperatures after sideband cooling. These techniques will enable more efficient cooling and thermometry within trapped-ion systems, especially those with high initial temperatures or spatially extended ion wave packets.

74 ATOMIC AND MOLECULAR PHYSICS↗

Cooperative Charge Ordering Signature of Trimer Molecules in Infinite-Layer CaCoO 2

The infinite-layer compound CaCoO 2 provides a compelling platform to explore how local orbital distortions evolve into collective electronic order. Using resonant soft x-ray scattering (RSXS) and its time-resolved counterpart (tr-RSXS), we reveal a cooperative coupling between two intertwined orders at the same in-plane wave vector, 𝑞 ≈ (1/4, 1/4, 0), comprising a quasi-two-dimensional orbital order associated with the distorted Co (1) sites and a quasi-three-dimensional trimerlike charge order stabilized through Co-O-Ca hybridization. The charge-sensitive component exhibits a uniform relaxation time of ∼400 fs (391 ± 5 fs) across multiple Co resonances, evidencing a collective charge response. A comparable timescale observed in the orbital order associated with the highly distorted Co (1) sites indicates that this collective behavior naturally originates from the same orbital framework that mediates both charge and orbital degrees of freedom. Together, these findings establish CaCoO 2 as a model system in which Jahn-Teller distortions, orbital hybridization, and geometric frustration cooperate to form molecular trimer units that dictate the macroscopic electronic behavior.

Lee, J.-S. [SLAC National Accelerator Laboratory (↗

Technoeconomic Analysis of Photovoltaics Module Manufacturing with Thin Silicon Wafers

Reducing silicon usage by adopting thinner wafers can significantly reduce capital expenditure (capex) and cost, and thus accelerate the growth of manufacturing capacity and deployment. In this work, we evaluated potential benefits of thin Si wafers for current and future PV modules. We apply a technoeconomic framework that couples bottom-up cost model, and a cash-flow growth model to analyze PV modules with thin wafers. First, we show that, comparing the current PERC with 160 um thick wafers to the high-efficiency concept with 50 um thin wafers, the capex is reduced from 0.39 to 0.2 $/(W/year) while the cost is from 0.32 to 0.2 $/W. Second, the potential of accelerated deployment is analyzed for the highefficiency thin wafer concept. We found the significant advantages of higher growth rate (~20% relative) and higher deployment plateau (~3 times) than the current PERC modules. modules with thin wafers. First, we show that, comparing the current PERC with 160 um thick wafers to the high-efficiency concept with 50 um thin wafers, the capex is reduced from 0.39 to 0.2 $/(W/year) while the cost is from 0.32 to 0.2 $/W. Second, the potential of accelerated deployment is analyzed for the highefficiency thin wafer concept. We found the significant advantages of higher growth rate (~20% relative) and higher deployment plateau (~3 times) than the current PERC modules.

14 SOLAR ENERGY↗

Error-controlled Progressive Retrieval of Scientific Data under Derivable Quantities of Interest

The unprecedented amount of scientific data has introduced heavy pressure on the current data storage and transmission systems. Progressive compression has been proposed to mitigate this problem, which offers data access with on-demand precision. However, existing approaches only consider precision control on primary data, leaving uncertainties on the quantities of interest (QoIs) derived from it. In this work, we present a progressive data retrieval framework with guaranteed error control on derivable QoIs. Our contributions are three-fold. (1) We carefully derive the theories to strictly control QoI errors during progressive retrieval. Our theory is generic and can be applied to any QoIs that can be composited by the basis of derivable QoIs proved in the paper. (2) We design and develop a generic progressive retrieval framework based on the proposed theories, and optimize it by exploring feasible progressive representations. (3) We evaluate our framework using five real-world datasets with a diverse set of QoIs. Experiments demonstrate that our framework can faithfully respect any user-specified QoI error bounds in the evaluated applications. This leads to over 2.02× performance gain in data transfer tasks compared to transferring the primary data while guaranteeing a QoI error that is less than 1E-5.

Wu, Xuan↗

Cy-Phy ADS: Cyber Physical Anomaly Detection Framework for EV Charging Systems

Today’s large-scale Electric Vehicle (EV) infrastructures are heavily dependent on information communication technologies to maintain their operation and to support communication within sub-system components as well as the outside world. These technologies are vulnerable to various cyber and physical threats. Timely identification and mitigation of these threats are critical for improving human safety, avoiding economic losses, and preventing catastrophic system failures. By addressing this, our work presents a ResNet Autoencoder (AE) based Cyber-Physical Anomaly Detection System (Cy-Phy ADS) for detecting anomalies in EV Controller Area Network (CAN) protocol communication. It consists of four main components: Cyber-Physical Feature Extractor, ResNet AE-based Anomaly Detection Framework, Cyber-Physical Health Metric (CPHM), and Visualization Dashboard. The presented framework was trained and tested using CAN data collected from the EV charging system testbed at the Idaho National Laboratory. The presented Cy-Phy ADS compared against six widely used unsupervised anomaly detection algorithms: One Class Support Vector Machine (OCSVM), Variational Autoencoder (VAE), LSTM Autoencoder (LSTM AE), Isolation Forest (IForest), Principle Component Analysis (PCA) and Local Outlier Factor (LOF). Here the presented approach showed the highest accuracy among the compared methods. Further, the proposed approach showed comparable performance in terms of precision, F1, and False positive rate. It also showed the lowest training and inference time compared to the neural network-based baseline algorithms compared against with. Additionally, the Cy-Phy ADS has advantages such as unsupervised training, the ability to provide a holistic metric for system health characterization, and non-linear feature extraction.

99 GENERAL AND MISCELLANEOUS↗

Statistical interpretation of sterile neutrino oscillation searches at reactors

A considerable experimental effort is currently under way to test the persistent hints for oscillations due to an eV-scale sterile neutrino in the data of various reactor neutrino experiments. The assessment of the statistical significance of these hints is usually based on Wilks’ theorem, whereby the assumption is made that the log-likelihood is χ 2 -distributed. However, it is well known that the preconditions for the validity of Wilks’ theorem are not fulfilled for neutrino oscillation experiments. In this work we derive a simple asymptotic form of the actual distribution of the log-likelihood based on reinterpreting the problem as fitting white Gaussian noise. From this formalism we show that, even in the absence of a sterile neutrino, the expectation value for the maximum likelihood estimate of the mixing angle remains non-zero with attendant large values of the log-likelihood. Our analytical results are then confirmed by numerical simulations of a toy reactor experiment. Finally, we apply this framework to the data of the Neutrino-4 experiment and show that the null hypothesis of no-oscillation is rejected at the 2.6 σ level, compared to 3.2 σ obtained under the assumption that Wilks’ theorem applies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

MetaboDirect: an analytical pipeline for the processing of FT-ICR MS-based metabolomic data

Background: Microbiomes are now recognized as the main drivers of ecosystem function ranging from the oceans and soils to humans and bioreactors. However, a grand challenge in microbiome science is to characterize and quantify the chemical currencies of organic matter (i.e., metabolites) that microbes respond to and alter. Critical to this has been the development of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), which has drastically increased molecular characterization of complex organic matter samples, but challenges users with hundreds of millions of data points where readily available, user-friendly, and customizable software tools are lacking. Results: Here, we build on years of analytical experience with diverse sample types to develop MetaboDirect, an open-source, command-line-based pipeline for the analysis (e.g., chemodiversity analysis, multivariate statistics), visualization (e.g., Van Krevelen diagrams, elemental and molecular class composition plots), and presentation of direct injection high-resolution FT-ICR MS data sets after molecular formula assignment has been performed. When compared to other available FT-ICR MS software, MetaboDirect is superior in that it requires a single line of code to launch a fully automated framework for the generation and visualization of a wide range of plots, with minimal coding experience required. Among the tools evaluated, MetaboDirect is also uniquely able to automatically generate biochemical transformation networks (ab initio) based on mass differences (mass difference network-based approach) that provide an experimental assessment of metabolite connections within a given sample or a complex metabolic system, thereby providing important information about the nature of the samples and the set of microbial reactions or pathways that gave rise to them. Finally, for more experienced users, MetaboDirect allows users to customize plots, outputs, and analyses. Conclusion: Application of MetaboDirect to FT-ICR MS-based metabolomic data sets from a marine phage-bacterial infection experiment and a Sphagnum leachate microbiome incubation experiment showcase the exploration capabilities of the pipeline that will enable the research community to evaluate and interpret their data in greater depth and in less time. It will further advance our knowledge of how microbial communities influence and are influenced by the chemical makeup of the surrounding system. The source code and User’s guide of MetaboDirect are freely available through (https://github.com/Coayala/MetaboDirect) and (https://metabodirect.readthedocs.io/en/latest/), respectively.

54 ENVIRONMENTAL SCIENCES↗

Study of Additive Manufacturing Applications to Geothermal Technologies Final Project Report

This report summarizes work performed to assess the potential for utilizing additive manufacturing (AM) to substantially improve either the availability, performance or cost basis for tools and components that are required for geothermal energy production. A systematic cataloging of geothermal activities, associated technologies, and current manufacturing methods was first undertaken. This included literature reviews as well as interviews with subject matter experts, service companies and OEMs. An industry workshop was held as part of this portion of the project to obtain input and concerns from a broad range of OEMs, service providers and end users. This workshop was also used to gage the current level of AM activity in industry, receptiveness to the use of AM manufactured parts, and any up front concerns that may exist. A summary of the workshop is presented in this report. Representative components and assemblies and their current manufacturing methods were then analyzed by additive manufacturing experts at a company called Senvol to determine the feasibility and required steps for producing parts by additive manufacturing. A step by step description of conventional manufacturing of the parts was also performed to establish a manufacturing baseline for comparison purposes. This analysis also considered and described the benefits of additively manufacturing the parts in terms of specific AM systems, material availability for AM, dimensional requirements and potential economic advantages. Details of the manufacturability assessment were summarized in a report which is included as a chapter in this document. The analysis of the AM subject matter experts was then be used by techno-economic analysts to perform a comparative economic evaluation of the manufacturing of select technologies by AM and conventional approaches. This activity leveraged ORNL expertise and prior experience in other applications. A framework based on assessing cost, volume production considerations, and time to manufacture was created to more easily discern the advantages or disadvantages of additive versus conventional manufacturing methods. The report concludes with a general assessment of the current applicability of AM for geothermal technologies, AM gaps and needs related to typical geothermal hardware, and the potential benefits and impacts of AM to geothermal energy production.

15 GEOTHERMAL ENERGY↗

Evaluating Basin-Scale Forest Adaptation Scenarios: Wildfire, Streamflow, Biomass, and Economic Recovery Synergies and Trade-Offs

Active forest management is applied in many parts of the western United States to reduce wildfire severity, mitigate vulnerability to drought and bark beetle mortality, and more recently, to increase snow retention and late-season streamflow. A rapidly warming climate accelerates the need for these restorative treatments, but the treatment priority among forest patches varies considerably. We simulated four treatment scenarios across the 3,450 km 2 Wenatchee River basin in eastern Washington, United States. We used a decision support tool (DST) to assess trade-offs and synergies within and among treatments on wildfire risk and smoke emissions, water yield and snow retention, biomass production, and economic return. Treatment scenarios emphasized prescribed burning ( BurnOnly ), biomass production ( MaxBiomass ), gap-based thinning to optimize water yield ( IdealWater ), and a principle-based restoration scenario ( RA1 ). Fire hazard, smoke emissions, and biomass production metrics were evaluated across scenarios using the Forest Vegetation Simulator, and water yields were modeled using the Distributed Hydrology Soil Vegetation Model. Simulations were summarized to both patch- (10 1 –10 2 ha) and subwatershed- (10 3 –10 4 ha) scales, and treatment effects were evaluated against an untreated baseline landscape. We used logic models to rank effect sizes by scenario across metrics along a continuum between −1 (no or weak effect) to +1 (large effect). All treatments produced benefits across one or more ecosystem services and led to synergistic benefits to water yield and wildfire hazard reduction. Tradeoffs among resource benefits were clear in wilderness where reliance on prescribed burning without mechanical treatment increased costs and eliminated the potential for biomass recovery. The BurnOnly scenario improved fire risk metrics and streamflow, but effect sizes were lower compared to other treatments. IdealWater showed the strongest benefits overall, demonstrating the ability to capture multiple resource benefits through spatially explicit thinning. Our study provides a framework for integrating strategic and tactical models that evaluate tradeoffs and synergies gained through varied management approaches. We demonstrate the utility of decision support modeling to enhance management synergies across large landscapes.

54 ENVIRONMENTAL SCIENCES↗

Lie theory and control systems defined on spheres

It is shown that in constructing a theory for the most elementary class of control problems defined on spheres, some results from the Lie theory play a natural role. To understand controllability, optimal control, and certain properties of stochastic equations, Lie theoretic ideas are needed. The framework considered here is the most natural departure from the usual linear system/vector space problems which have dominated control systems literature. For this reason results are compared with those previously available for the finite dimensional vector space case.

Brockett, R. W.↗

An Investigation of the Ability to Recover from Transients Following Failures for Single-Pilot Rotorcraft

A moving-base simulation was conducted to investigate a pilot's ability to recover from transients following single-axis hard-over failures of the flight-control system. The investigation was performed in conjunction with a host simulation that examined the influence of control modes on a single pilot's ability to perform various mission elements under high-workload conditions. The NASA Ames large-amplitude-motion Vertical Motion Simulator (VMS) was utilized, and the experimental variables were the failure axis, the severity of the failure, and the airspeed at which the failure occurred. Other factors, such as pilot workload and terrain and obstacle proximity at the time of failure, were kept as constant as possible within the framework of the host simulation task scenarios. No explicit failure warnings were presented to the pilot. Data from the experiment are shown, and pilot ratings are compared with the proposed handling-qualities requirements for military rotorcraft. Results indicate that the current proposed failure transient requirements may need revision.

Mansur, M. Hossein↗