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At least 595 records · Page 33

Self-Sensing Composites via an Embedded 3D-Printed PVDF-MoS 2 Nanosensor for Structural Health Monitoring

Carbon fiber (CF)-reinforced epoxy composites are widely used in vehicle applications, where early damage detection is crucial for reliability and safety. To address this need, we developed a self-sensing epoxy/CF composite by embedding a PVDF-MoS 2 nanosensor via an embedded 3D printing method. By harnessing the intrinsic curing kinetics of epoxy, we tailored its rheological properties to optimize the embedded printing process, enabling precise and reliable support for sensor filaments without compromising the composite’s structural and functional integrity. Through comprehensive rheological and kinetic analysis, we established a quantitative relationship among curing temperature, conversion rate, and resulting yield modulus─defining a narrow processing window essential for successful sensor integration. Specifically, we identified that an epoxy yield modulus range of 180–294 Pa and a conversion rate below 10% are critical to support the PVDF-MoS 2 filament architecture. Here, this embedded 3D printing method produces complex and multimaterial PVDF-MoS 2 sensors within an epoxy matrix with minimal deformation and reduced postprocessing, which is scalable and adaptable for industrial applications. Under cyclic loading, the embedded sensors exhibited stable signals under constant loads and increased voltage signals in response to crack formation (17–35% higher) and catastrophic failure (1 order of magnitude higher), effectively capturing structural changes in real time. This study demonstrates the potential of PVDF-MoS 2 nanocomposite sensor materials for real-time structural health monitoring in epoxy–CF composite systems, enabling early detection of defects and stress anomalies, significantly reducing the risk of unexpected failures, and enhancing structural reliability.

PVDF-MoS2 sensor↗

ISS Microgravity Environment Monitoring System (MEMS): System Design - Part 1

The Principal Investigator Microgravity Services project at the NASA Glenn Research center supports Principal Investigators of the microgravity science community as they evaluate the effects of acceleration on their experiments. The Principal Investigator Microgravity Services' primary responsibility is to support NASA sponsored investigators in the area of acceleration data analysis, interpretation and the monitoring of the microgravity environment on-board various carriers. The microgravity environment is a rich and very complex dynamic one. It is subject to quasi-steady accelerations, higher frequency acceleration, and transient disturbances. With the advent of the International Space Station operation, a significant amount of data is expected to be downlinked and processed for both the space station microgravity environment characterization (verification) and scientific experiments. Therefore, to help principal investigator teams monitor the microgravity environment on-board the International Space Station in order to avoid negative impact on their experiment, when possible, the NASA Glenn Principal Investigator Microgravity Services project is currently developing an artificial intelligence monitoring system, which will notify the principal investigator teams in near real time of any change in the microgravity environment susceptible to affect their experiments.

Jules, Kenol↗

Correction and verification of x-ray imaging crystal spectrometer analysis on Wendelstein 7-X through x-ray ray tracing

X-ray ray tracing is used to develop ion-temperature corrections for the analysis of the X-ray Imaging Crystal Spectrometer (XICS) used at Wendelstein 7-X (W7-X) and perform verification on the analysis methods. The XICS is a powerful diagnostic able to measure ion-temperature, electron-temperature, plasma flow, and impurity charge state densities. While these systems are relatively simple in design, accurate characterization of the instrumental response and validation of analysis techniques are difficult to perform experimentally due to the requirement of extended x-ray sources. For this reason, a ray tracing model has been developed that allows characterization of the spectrometer and verification of the analysis methods while fully considering the real geometry of the XICS system and W7-X plasma. Through the use of ray tracing, several important corrections have been found that must be accounted for in order to accurately reconstruct the ion-temperature profiles. The sources of these corrections are described along with their effect on the analyzed profiles. The implemented corrections stem from three effects: (1) effect of sub-pixel intensity distribution during de-curving and spatial binning, (2) effect of sub-pixel intensity distribution during forward model evaluation and generation of residuals, and (3) effect of defocus and spherical aberrations on the instrumental response. Possible improvements to the forward model and analysis procedures are explored, along with a discussion of trade-offs in terms of computational complexity. Finally, the accuracy of the tomographic inversion technique in stellarator geometry is investigated, providing for the first time a verification exercise for inversion accuracy in stellarator geometry and a complete XICS analysis tool-chain.

47 OTHER INSTRUMENTATION↗

Realistic fuel spray modeling for gasoline direct injection engine applications

Fuel spray modeling plays a critical role during modern gasoline direct injection (GDI) engine development due to fuel injection’s dominant impact on engine performance and emissions as well as the complex physical processes involved. In engineering three-dimensional (3D) computational fluid dynamics (CFD) simulations, the liquid-phase fuel atomization, evaporation, and mixing are usually modeled with the discrete droplet model (DDM) adopting a Lagrangian approach for multiphase CFD simulations. To this end, general practices heavily depend on the reduced order characterization of the injector nozzle flow. However, such simplified injector modeling may lead to insufficient representations of the complex spray dynamics. To tackle this problem, this study proposes a novel workflow to numerically evaluate GDI sub-cooled and flash-boiling sprays under engine-relevant conditions using a side-mounted GDI injector together with real gasoline fuel properties. The workflow introduces a one-way coupling (OWC) method leveraging high-fidelity nozzle flow simulations to provide realistic boundary conditions to the Lagrangian injector model. The proposed workflow was first verified in a constant volume chamber (CVC) environment and then implemented in a practical GDI engine setup to study spray morphology, fuel-air mixing, and wall-wetting propensity. In addition, detailed comparison was performed between the OWC method and the conventional rate of injection (ROI) routine. In conclusion, quantitative analysis of spray characteristics was conducted to highlight possible source of discrepancies of the conventional ROI method.

33 ADVANCED PROPULSION SYSTEMS↗

Generating Customized Verifiers for Automatically Generated Code

Program verification using Hoare-style techniques requires many logical annotations. We have previously developed a generic annotation inference algorithm that weaves in all annotations required to certify safety properties for automatically generated code. It uses patterns to capture generator- and property-specific code idioms and property-specific meta-program fragments to construct the annotations. The algorithm is customized by specifying the code patterns and integrating them with the meta-program fragments for annotation construction. However, this is difficult since it involves tedious and error-prone low-level term manipulations. Here, we describe an annotation schema compiler that largely automates this customization task using generative techniques. It takes a collection of high-level declarative annotation schemas tailored towards a specific code generator and safety property, and generates all customized analysis functions and glue code required for interfacing with the generic algorithm core, thus effectively creating a customized annotation inference algorithm. The compiler raises the level of abstraction and simplifies schema development and maintenance. It also takes care of some more routine aspects of formulating patterns and schemas, in particular handling of irrelevant program fragments and irrelevant variance in the program structure, which reduces the size, complexity, and number of different patterns and annotation schemas that are required. The improvements described here make it easier and faster to customize the system to a new safety property or a new generator, and we demonstrate this by customizing it to certify frame safety of space flight navigation code that was automatically generated from Simulink models by MathWorks' Real-Time Workshop.

Denney, Ewen↗

Retrieval of Aerosol Microphysical Properties from AERONET Photo-Polarimetric Measurements. 2: A New Research Algorithm and Case Demonstration

A new research algorithm is presented here as the second part of a two-part study to retrieve aerosol microphysical properties from the multispectral and multiangular photopolarimetric measurements taken by Aerosol Robotic Network's (AERONET's) new-generation Sun photometer. The algorithm uses an advanced UNified and Linearized Vector Radiative Transfer Model and incorporates a statistical optimization approach.While the new algorithmhas heritage from AERONET operational inversion algorithm in constraining a priori and retrieval smoothness, it has two new features. First, the new algorithmretrieves the effective radius, effective variance, and total volume of aerosols associated with a continuous bimodal particle size distribution (PSD) function, while the AERONET operational algorithm retrieves aerosol volume over 22 size bins. Second, our algorithm retrieves complex refractive indices for both fine and coarsemodes,while the AERONET operational algorithm assumes a size-independent aerosol refractive index. Mode-resolved refractive indices can improve the estimate of the single-scattering albedo (SSA) for each aerosol mode and thus facilitate the validation of satellite products and chemistry transport models. We applied the algorithm to a suite of real cases over Beijing_RADI site and found that our retrievals are overall consistent with AERONET operational inversions but can offer mode-resolved refractive index and SSA with acceptable accuracy for the aerosol composed by spherical particles. Along with the retrieval using both radiance and polarization, we also performed radiance-only retrieval to demonstrate the improvements by adding polarization in the inversion. Contrast analysis indicates that with polarization, retrieval error can be reduced by over 50% in PSD parameters, 10-30% in the refractive index, and 10-40% in SSA, which is consistent with theoretical analysis presented in the companion paper of this two-part study.

aerosol retrieval algorithm↗

Optimized Profile Retrievals of Aerosol Microphysical Properties from Simulated Spaceborne Multiwavelength Lidar

This work is an expanded study of one previously published onretrievals of aerosol microphysical properties from space-borne multiwavelengthlidarmeasurements. The earlier studiesand this one weredone in the framework of the NASA Aerosol-Clouds-Ecosystems (now the Aerosol Clouds Convection and Precipitation) NASA mission. The focus here is on the capabilities of a simulated spacebornemultiwavelengthlidar system for retrieving aerosol complex refractive index (m = mr+ imi) and spectral single scattering albedo (SSA(λ)), although other bulk parameters such as effective (reff) radius and particle volume (V) and surface (S) concentrations are also studied. The novelty presented here is the use of recently published, case dependent optimized-constraints on the microphysical retrievals using three backscattering coefficients (β) at 355, 532 and 1064 nm and two extinction coefficients (α) at 355 and 532 nm, typically known as the stand-alone 3β+2α lidar inversion. Case-dependent optimized-constraints (CDOC) limit the ranges of refractive index, both real (mr) and imaginary (mi) parts, and of radii that are permitted in the retrievals. Such constraints are selected directly from the 3β+2α41measurements through an analysis of the relationship between spectral dependence of aerosol extinction-to-backscatter ratios (LR) and the Ångström exponent of extinction. The analyses presented here for different sets ofsize distributions and refractive indices reveal that the direct determination of CDOCareonly feasible for cases where the uncertaintiesin the input optical data areless than 15 %.Forthe same simulated spacebornesystem and yield than in Whiteman et al., (2018), we demonstrated that the use of CDOC as essential for the retrievals of refractive index and also largely improved retrieval of bulk parameters. A discussion of the global representativeness of CDOC is presented using simulated lidar data from a 24-hour satellite track using GEOS model output to initialize the lidar simulator.We found that CDOCare representative of many aerosol mixtures in spite of some outliers (e.g. highly hydrated particles) associatedwith the assumptions of bimodal size distributions and of the same refractive index for fine and coarse modes. Moreover, sensitivity tests performed using synthetic data reveal that retrievals of imaginary refractive index (mi) and SSA are extremely sensitive to β(355).

NASA Aerosol-Clouds-Ecosystems↗

The Value of a Spaceflight Clinical Decision Support System for Earth-Independent Medical Operations

As NASA prepares for crewed lunar missions over the next several years, plans are also underway to journey farther into deep space. Deep space exploration will require a paradigm shift in astronaut medical support toward progressively earth-independent medical operations (EIMO). The Exploration Medical Capability (ExMC) element of NASA’s Human Research Program (HRP) is investigating the feasibility and value of advanced capabilities to promote and enhance EIMO. Currently, astronauts rely on real-time communication with ground-based medical providers. However, as the distance from Earth increases, so do communication delays and disruptions. Moreover, resupply and evacuation will become increasingly complex, if not impossible, on deep space missions. In contrast to today’s missions in low earth orbit (LEO), where most medical expertise and decision-making are ground-based, an exploration crew will need to autonomously detect, diagnose, treat, and prevent medical events. Due to the sheer amount of pre-mission training required to execute a human spaceflight mission, there is often little time to devote exclusively to medical training. One potential solution is to augment the long duration exploration crew’s knowledge, skills, and abilities with a clinical decision support system (CDSS). An analysis of preliminary data indicates the potential benefits of a CDSS to mission outcomes when augmenting cognitive and procedural performance of an autonomous crew performing medical operations, and we provide an illustrative scenario of how such a CDSS might function.

Brian K. Russell↗

Optimized Gear Selection to Maximize Energy Savings in Electric Traction Drives for Medium and Heavy Duty Vehicles

Multi‑gear transmission systems are commonly used in electric traction drives for medium and heavy‑duty vehicles, while most passenger‑vehicle electric drivetrains rely on a single fixed ratio to reduce cost, weight, and complexity. Using multiple gear ratios can enable downsizing of the motor and inverter while still meeting performance requirements. Additionally, appropriately chosen ratios allow the motor to operate more frequently in high‑efficiency regions, improving overall energy usage and reducing operating costs over the drive cycle. This paper presents a systematic approach for selecting optimal gear ratios for electric drive systems. A neural‑network model is first developed to represent motor losses across the full torque–speed range using data generated from finite element analysis. This model enables fast, accurate evaluation of motor efficiency under varying operating conditions. A genetic‑algorithm‑based optimization framework is then applied to identify gear ratios that maximize energy cost savings over the drive cycle, with the resulting optimal ratios stored for real‑time implementation.

Gadiyar, Nishanth [ORNL] (ORCID:0000000348267524)↗

Physics-Based Methods of Failure Analysis and Diagnostics in Human Space Flight

The Integrated Health Management (IHM) for the future aerospace systems requires to interface models of multiple subsystems in an efficient and accurate information environment at the earlier stages of system design. The complexity of modern aeronautic and aircraft systems (including e.g. the power distribution, flight control, solid and liquid motors) dictates employment of hybrid models and high-level reasoners for analysing mixed continuous and discrete information flow involving multiple modes of operation in uncertain environments, unknown state variables, heterogeneous software and hardware components. To provide the information link between key design/performance parameters and high-level reasoners we rely on development of multi-physics performance models, distributed sensors networks, and fault diagnostic and prognostic (FD&P) technologies in close collaboration with system designers. The main challenges of our research are related to the in-flight assessment of the structural stability, engine performance, and trajectory control. The main goal is to develop an intelligent IHM that not only enhances components and system reliability, but also provides a post-flight feedback helping to optimize design of the next generation of aerospace systems. Our efforts are concentrated on several directions of the research. One of the key components of our strategy is an innovative approach to the diagnostics/prognostics based on the real time dynamical inference (DI) technologies extended to encompass hybrid systems with hidden state trajectories. The major investments are into the multiphysics performance modelling that provides an access of the FD&P technologies to the main performance parameters of e.g. solid and liquid rocket motors and composite materials of the nozzle and case. Some of the recent results of our research are discussed in this chapter. We begin by introducing the problem of dynamical inference of stochastic nonlinear models and reviewing earlier results. Next, we present our analytical approach to the solution of this problem based on the path integral formulation. The resulting algorithm does not require an extensive global search for the model parameters, provides optimal compensation for the effects of dynamical noise, and is robust for a broad range of dynamical models. In the following Section the strengths of the algorithm are illustrated illustrated by inferring the parameters of the stochastic Lorenz system and comparing the results with those of earlier research. Next, we discuss a number of recent results in application to the development of the IHM for aerospace system. Firstly, we apply dynamical inference approach to a solution of classical three tank problems with mixed unknown continuous and binary parameters. The problem is considered in the context of ground support system for filling fuel tanks of liquid rocket motors. It is shown that the DI algorithm is well suited for successful solution of a hybrid version of this benchmark problem even in the presence of additional periodic and stochastic perturbation of unknown strength. Secondly, we illustrate our approach by its application to an analysis of the nozzle fault in a solid rocket motor (SRM). The internal ballistics of the SRM is modelled as a set of one-dimensional partial differential equations coupled to the dynamics of the propellant regression. In this example we are specifically focussed on the inference of discrete and continuous parameters of the nozzle blocking fault and on the possibility of an application of the DI algorithm to reducing the probability of "misses" of an on-board FD&P for SRM. In the next section re-contact problem caused by first stage/upper stage separation failure is discussed. The reaction forces imposed on the nozzle of the upper stage during the re-contact and their connection to the nozzle damage and to the thrust vector control (TVC) signal are obtained. It is shown that transient impact induced torquean be modelled as a response of an effective damped oscillator. A possible application of the DI algorithm to the inference of damage parameters and predicting fault dynamics ahead of time using the actuator signal is discussed. Finally, we formulate Bayesian inferential framework for development of the IHM system for in-flight structural health monitoring (SHM) of composite materials. We consider the signal generated by piezoelectric actuator mounted on composite structure generating elastic waves in it. The signal received by the sensor is than compared with the baseline signal. The possibility of damage inference is discussed in the context of development of the SHM.

Smelyanskiy, Vadim N.↗

DAQExpert the service to increase CMS data-taking efficiency

The Data Acquisition (DAQ) system of the Compact Muon Solenoid (CMS) experiment at the LHC is a complex system responsible for the data readout, event building and recording of accepted events. Its proper functioning plays a critical role in the data-taking efficiency of the CMS experiment. In order to ensure high availability and recover promptly in the event of hardware or software failure of the subsystems, an expert system, the DAQ Expert, has been developed. It aims at improving the data taking efficiency, reducing the human error in the operations and minimising the on-call expert demand. Introduced in the beginning of 2017, it assists the shift crew and the system experts in recovering from operational faults, streamlining the post mortem analysis and, at the end of Run 2, triggering fully automatic recovery without human intervention. DAQ Expert analyses the real-time monitoring data originating from the DAQ components and the high-level trigger updated every few seconds. It pinpoints data flow problems, and recovers them automatically or after given operator approval. We analyse the CMS downtime in the 2018 run focusing on what was improved with the introduction of automated recovery; present challenges and design of encoding the expert knowledge into automated recovery jobs. Furthermore, we demonstrate the web-based, ReactJS interfaces that ensure an effective cooperation between the human operators in the control room and the automated recovery system. We report on the operational experience with automated recovery.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Structural Health Management of Damaged Aircraft Structures Using the Digital Twin Concept

The development of multidisciplinary integrated Structural Health Management (SHM) tools will enable accurate detection, and prognosis of damaged aircraft under normal and adverse conditions during flight. As part of the digital twin concept, methodologies are developed by using integrated multiphysics models, sensor information and input data from an in-service vehicle to mirror and predict the life of its corresponding physical twin. SHM tools are necessary for both damage diagnostics and prognostics for continued safe operation of damaged aircraft structures. The adverse conditions include loss of control caused by environmental factors, actuator and sensor faults or failures, and structural damage conditions. A major concern in these structures is the growth of undetected damage/cracks due to fatigue and low velocity foreign object impact that can reach a critical size during flight, resulting in loss of control of the aircraft. To avoid unstable, catastrophic propagation of damage during a flight, load levels must be maintained that are below a reduced load-carrying capacity for continued safe operation of an aircraft. Hence, a capability is needed for accurate real-time predictions of damage size and safe load carrying capacity for structures with complex damage configurations. In the present work, a procedure is developed that uses guided wave responses to interrogate damage. As the guided wave interacts with damage, the signal attenuates in some directions and reflects in others. This results in a difference in signal magnitude as well as phase shifts between signal responses for damaged and undamaged structures. Accurate estimation of damage size, location, and orientation is made by evaluating the cumulative signal responses at various pre-selected sensor locations using a genetic algorithm (GA) based optimization procedure. The damage size, location, and orientation is obtained by minimizing the difference between the reference responses and the responses obtained by wave propagation finite element analysis of different representative cracks, geometries, and sizes.

Seshadri, Banavara R.↗

Contingency Analysis Based on Partitioned and Parallel Holomorphic Embedding

In the steady-state contingency analysis, the traditional Newton-Raphson method suffers from non-convergence issues when solving post-outage power flow problems, which hinders the integrity and accuracy of security assessment. In this paper, we propose a novel robust contingency analysis approach based on holomorphic embedding (HE). Here, the HE-based simulator provides theoretical convergence guarantee, which is desirable because it avoids the influence of numerical issues and provides a credible security assessment conclusion. In addition, based on the multi-area characteristics of real-world power systems, a partitioned HE (PHE) method is proposed with an interfacebased partitioning of HE formulation. The PHE method does not undermine the numerical robustness of HE and significantly reduces the computation burden in large-scale contingency analysis. The PHE method is further enhanced by parallel or distributed computation to become parallel PHE (P2HE). Tests on a 458-bus system, a synthetic 419-bus system and a large-scale 21447-bus system demonstrate the advantages of the proposed methods in robustness and efficiency.

42 ENGINEERING↗

Comparative Performance of Gaussian Plume and Backward Lagrangian Stochastic Models for Near-Field Methane Emission Estimation Using a Single Controlled Release Experiment

Methane (CH 4 ) is a major component of natural gas and a potent greenhouse gas. Increasing atmospheric methane concentrations are attributed to emissive anthropogenic activities by an average of 13 ppb per yr since 2020 and are linked to a changing global climate. Mitigating CH 4 emissions from oil and gas production sites has recently become a target to reduce overall greenhouse gas emissions; however, monitoring the efficacy of mitigation strategies depends on accurate quantification of CH 4 emissions at the facility-level. Near-field quantification of methane (CH 4 ) emissions from oil and gas (O&G) facilities remains challenging due to the effects of atmospheric variability and sensor configuration on atmospheric dispersion models. This study evaluates the performance of two atmospheric dispersion models, the Gaussian plume (GP) and backward Lagrangian stochastic (bLS), by comparing calculated CH 4 emissions to controlled single-point emissions between 0.4 and 5.2 kg CH 4 h −1 . Emissions were calculated by both models using 121 individual sets of measurements comprising five-minute averaged downwind methane mixing ratios and matching meteorological data. The comparison shows that the bLS approach achieved a higher proportion of emission estimates within a factor of two (FAC2) of the known emission rates compared to the GP approach. The emissions calculated by the bLS model also had a lower multiplicative error and reduced bias relative to GP. Other error-based metrics further confirmed the bLS model performed better, as it yielded lower RMSE and MAE than GP. Statistical analysis of the emission data shows that the lateral and vertical alignment of the source and the sensor plays a critical role in emission estimations, as measurements made closer to the plume centerline and at a distance between 40 and 80 m downwind yielded the best FAC2 agreement. High wind meander degraded the ability of both approaches to generate representative emissions, particularly with the GP approach, as it violates the modeling approach’s assumption of steady-state emissions. Data suggest emissions calculated by the bLS model are comprehensively in better agreement, but the computational demands of the modeling approach and integration into fenceline systems limit real-time applicability. While these results provide insight into model performance under controlled near-field conditions, their applicability to more complex or heterogeneous oil and gas production environments (e.g., the regions Marcellus or Unita Basins) remains limited and uncertain.

gaussian plume↗

The role of the real-time simulation facility, SIMFAC, in the design, development and performance verification of the Shuttle Remote Manipulator System (SRMS) with man-in-the-loop

The SIMFAC has played a vital role in the design, development, and performance verification of the shuttle remote manipulator system (SRMS) to be installed in the space shuttle orbiter. The facility provides for realistic man-in-the-loop operation of the SRMS by an operator in the operator complex, a flightlike crew station patterned after the orbiter aft flight deck with all necessary man machine interface elements, including SRMS displays and controls and simulated out-of-the-window and CCTV scenes. The characteristics of the manipulator system, including arm and joint servo dynamics and control algorithms, are simulated by a comprehensive mathematical model within the simulation subsystem of the facility. Major studies carried out using SIMFAC include: SRMS parameter sensitivity evaluations; the development, evaluation, and verification of operating procedures; and malfunction simulation and analysis of malfunction performance. Among the most important and comprehensive man-in-the-loop simulations carried out to date on SIMFAC are those which support SRMS performance verification and certification when the SRMS is part of the integrated orbiter-manipulator system.

Mccllough, J. R.↗

Multi-Fidelity Stochastic Economic Dispatch for Operating Low Carbon Power Grids

Grid operators can address the inherently stochastic nature of renewables by solving a two-stage stochastic programming model that minimizes the cost of dispatch decisions while accounting for the complex grid dynamics. It is common to use a sample average approximation to estimate the expectation of the second stage costs in this model. However, the large sample count needed for numerical accuracy makes effective modeling large-scale electric grids computationally intractable. We introduce a control variate multi-fidelity estimator for the second-stage recourse that enables high quality dispatch decisions in real-time with a reduced computational burden. We obtain a hierarchy of model fidelities by linearizing the AC power flow system representation to DC power flow, and by relaxing transmission and voltage network constraints. We evaluate the performance of our proposed method on a synthetic grid with 73 buses against a deterministic baseline with persistence forecast and a high-fidelity reference. Our analysis shows a computational speed-up of 7.62x with a minimal loss in accuracy. The multi-fidelity method is well suited to fidelity combinations that use a simplified network topology in their lower fidelity model and is an attractive option for applications where accurate grid modeling needed on a limited computational budget.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Growth Strategy of a Hybrid Yb3Rh4Sn13/LaRuSn3 Structure Type: Integrating Thermal Analysis, In Situ Diffraction, and Geometric Descriptors

Remeika phases form a versatile family of cage like intermetallics built from transition metal–centered trigonal prisms linked into three dimensional frameworks that generate two characteristic voids: a large [AX₁₂] cuboctahedral cage hosting the rare earth ion and an [XX′₁₂] icosahedral cage accommodating the tetrel atom. In this work, we present a tool driven approach for targeted solid state synthesis of Remeika phases, integrating differential scanning calorimetry, in situ neutron diffraction, and a geometric tolerance factor that quantifies rare earth size compatibility within these polyhedral cages. When combined with arc melting and metallic flux crystal growth, this framework enables prediction, verification, and isolation of specific Remeika phases. Applying this strategy, we obtain single crystals of the predicted pseudo-perovskite Fe based Remeika compound Yb0.9FeGe3.1. More broadly, this perspective highlights how coupling real time structural probes with simple geometric descriptors provides a general pathway for designing synthesis conditions and accessing potentially metastable structure types in complex intermetallic systems.

36 MATERIALS SCIENCE↗

Coupled Data Assimilation for Integrated Earth System Analysis and Prediction: Goals, Challenges, and Recommendations

The purpose of this report is to identify fundamental issues for coupled data assimilation (CDA), such as gaps in science and limitations in forecasting systems, in order to provide guidance to the World Meteorological Organization (WMO) on how to facilitate more rapid progress internationally. Coupled Earth system modeling provides the opportunity to extend skillful atmospheric forecasts beyond the traditional two-week barrier by extracting skill from low-frequency state components such as the land, ocean, and sea ice. More generally, coupled models are needed to support seamless prediction systems that span timescales from weather, subseasonal to seasonal (S2S), multiyear, and decadal. Therefore, initialization methods are needed for coupled Earth system models, either applied to each individual component (called Weakly Coupled Data Assimilation - WCDA) or applied the coupled Earth system model as a whole (called Strongly Coupled Data Assimilation - SCDA). Using CDA, in which model forecasts and potentially the state estimation are performed jointly, each model domain benefits from observations in other domains either directly using error covariance information known at the time of the analysis (SCDA), or indirectly through flux interactions at the model boundaries (WCDA). Because the non-atmospheric domains are generally under-observed compared to the atmosphere, CDA provides a significant advantage over single-domain analyses. Next, we provide a synopsis of goals, challenges, and recommendations to advance CDA: Goals: (a) Extend predictive skill beyond the current capability of NWP (e.g. as demonstrated by improving forecast skill scores), (b) produce physically consistent initial conditions for coupled numerical prediction systems and reanalyses (including consistent fluxes at the domain interfaces), (c) make best use of existing observations by allowing observations from each domain to influence and improve the full earth system analysis, (d) develop a robust observation-based identification and understanding of mechanisms that determine the variability of weather and climate, (e) identify critical weaknesses in coupled models and the earth observing system, (f) generate full-field estimates of unobserved or sparsely observed variables, (g) improve the estimation of the external forcings causing changes to climate, (h) transition successes from idealized CDA experiments to real-world applications. Challenges: (a) Modeling at the interfaces between interacting components of coupled Earth system models may be inadequate for estimating uncertainty or error covariances between domains, (b) current data assimilation methods may be insufficient to simultaneously analyze domains containing multiple spatiotemporal scales of interest, (c) there is no standardization of observation data or their delivery systems across domains, (d) the size and complexity of many large-scale coupled Earth system models makes it is difficult to accurately represent uncertainty due to model parameters and coupling parameters, (e) model errors lead to local biases that can transfer between the different Earth system components and lead to coupled model biases and long-term model drift, (e) information propagation across model components with different spatiotemporal scales is extremely complicated, and must be improved in current coupled modeling frameworks, (h) there is insufficient knowledge on how to represent evolving errors in non-atmospheric model components (e.g. as sea ice, land and ocean) on the timescales of NWP.

CDA↗