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At least 343 records · Page 19

Automated Operational Forecasting of Monsoon Low Pressure Systems

Monsoon low pressure systems (LPSs) are the dominant rain-bearing weather system of South Asia, often producing extreme precipitation and hydrological disasters in a region inhabited by nearly two billion people. Despite the importance of these storms, no operational system has automatically identified and tracked LPS in real time in numerical weather prediction model output; many commonly used vortex-tracking algorithms are ill suited for monsoon LPS because of the weak winds and cold cores of these systems. Here, we describe a new system that uses optimized algorithms to identify monsoon LPS in short- to medium-range forecasts from the U.S. Global Ensemble Forecast System (GEFS) and a version of the deterministic Global Forecast System (GFS) adapted and used operationally by the Indian Institute of Tropical Meteorology (IITM). We also assess the historical performance of these models in forecasting South Asian monsoon LPS, comparing this with the performance of the Integrated Forecasting System of the ECMWF. We assess the accuracy of model predictions of LPS genesis, position, intensity, and precipitation rates for forecast lead times of 1–5 days, yielding quantitative information on model biases to guide operational forecasters and disaster managers. The system we introduce here could be extended to other low-latitude regions affected by dynamically weak, heavily precipitating atmospheric vortices that are often not included in tropical cyclone inventories.

54 ENVIRONMENTAL SCIENCES↗

Metabolic flux optimization of iterative pathways through orthogonal gene expression control: Application to the β-oxidation reversal

Balancing relative expression of pathway genes to minimize flux bottlenecks and metabolic burden is one of the key challenges in metabolic engineering. This is especially relevant for iterative pathways, such as reverse β-oxidation (rBOX) pathway, which require control of flux partition at multiple nodes to achieve efficient synthesis of target products. Here, we develop a plasmid-based inducible system for orthogonal control of gene expression (referred to as the TriO system) and demonstrate its utility in the rBOX pathway. Leveraging effortless construction of TriO vectors in a plug-and-play manner, we simultaneously explored the solution space for enzyme choice and relative expression levels. Remarkably, varying individual expression levels led to substantial change in product specificity ranging from no production to optimal performance of about 90% of the theoretical yield of the desired products. We obtained titers of 6.3 g/L butyrate, 2.2 g/L butanol and 4.0 g/L hexanoate from glycerol in E. coli, which exceed the best titers previously reported using equivalent enzyme combinations. Since a similar system behavior was observed with alternative termination routes and higher-order iterations, we envision our approach to be broadly applicable to other iterative pathways besides the rBOX. Here, considering that high throughput, automated strain construction using combinatorial promoter and RBS libraries remain out of reach for many researchers, especially in academia, tools like the TriO system could democratize the testing and evaluation of pathway designs by reducing cost, time and infrastructure requirements.

59 BASIC BIOLOGICAL SCIENCES↗

Inverter Model Validation and Calibration Using Phasor Measurement Unit Data

As the penetration of inverter-based renewable energy resources increases in the power grid, especially at the distribution and microgrid levels, the need to accurately represent them in planning studies increases as well. However, due to the lack of well-established standard procedures, and vendor reluctance towards the detailed sharing of proprietary models, automated dynamic model validation and parameter calibration tools for inverter based resources (IBRs) remain scarce. This work presents a model validation and parameter calibration platform for representing IBRs with generic phasor-domain models. Phasor measurements of power system events are used for continuous validation using the data playback method, and model parameters are re-calibrated if a significant mismatch between measurements and model response is observed. Unique features of the proposed platform include- (a) an iterative Bayesian optimization approach towards parameter calibration to address a possible mismatch between the structures of generic models implemented in simulation softwares and actual commercial inverters, (b) error metrics designed to account for a possible mismatch between the time resolution of simulation and measurements, and (c) analysis of the measurement-simulation mismatch to provide guidance to engineering personnel regarding model shortcomings. The performance of the platform has been illustrated using both simulated data and field measurements to validate/calibrate inverter models in GridLAB-D.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Black carbon emissions from modern automated cordwood stoves for space heating

Wood burning stove design is improving as regulation become stricter for particulate matter emissions. Here, this study describes results of black carbon (BC) emissions from three modern automated wood stoves when tested in common failure modes using a test protocol that included cold-starts, high and low fuel loading densities, and use of overly large pieces of fuel. Emission sampling was performed using a dilution sampling system in tandem with an aethalometer to measure BC with high time resolution. Results show that the time-weighted average BC emission rates were 0.91, 4.30, and 1.74 g/h for the three stoves tested (A, B, and C respectively), the values, both higher and lower than the United States 2020 certification test emission limit of 2.5 g/h. The results demonstrate good performance overall, given the rigorous nature of the testing protocol used. The aethalometer data showed that the performance was relatively poor during cold-start, when the fuel was ignited and combusted without a coalbed, and when stoves failed to optimize air delivery due to specific loading and output conditions. During the cold-start test section, the average BC emission rate was seven times higher than the overall average for Stove A, 10 times above the average for Stove B, and two times above the average emission rate for Stove C. Calculations of the Average Angstrom Absorption Exponent (AAE) of the exhaust aerosol showed little correlation with BC concentration. The results show that automation results in a quantifiable reduction in particular BC emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Applications of Multibody for Everybody (M4E) in Marine Energy

Multibody for Everybody (M4E) is an open-source symbolic dynamics modeling framework designed to automate the derivation of equations of motion and simulation of constrained multibody systems using the joint coordinate formulation.

16 TIDAL AND WAVE POWER↗

Multi-scale and multi-physics analysis, design optimization, and experimental validation of heat exchangers utilizing high performance, non-round tubes

Air-to-refrigerant heat exchangers (HXs) are fundamental components in HVAC&R systems, and considerable research has been dedicated designing continually smaller, lighter, and more efficient HX designs. In recent years, researchers have leveraged advancements in Computational Fluid Dynamics (CFD), Finite Element Analysis (FEA), and optimization algorithms to consider primary tube shape and topology optimization to design highly compact, high performance HXs for a multitude of applications. In this research, we present a computationally efficient, comprehensive, multi-scale, and multi-physics analysis and optimization method for air-to-refrigerant HXs featuring automated CFD and FEA simulations and approximation-assisted optimization. This methodology was utilized to design HXs with shape-optimized, non-round tubes which outperform current state-of-the-art tube-fin HXs without compromising structural integrity. The optimal HXs were shown to deliver similar thermal performance to the baseline HXs while also achieving more than 20% reductions in airside pressure drop and core envelope volume and more than 30% reduction in internal volume. Comprehensive experimental validation of the optimization methodology was conducted through the testing of two prototypes in a standardized wind tunnel facility under multiple operating conditions. For prototype #1 under dry evaporator conditions, the predicted heat load agreed within ± 10% of measured values and the predicted airside pressure drop agreed within ± 30%, while for dehumidifying conditions, the predicted sensible and latent heat loads agreed within ± 10% and ± 20% of the measured values, respectively. For prototype #2, the predicted condenser heat load agreed within ± 3.0% of measured values, and the predicted airside pressure drop agreed within ± 27%. The acceptable agreement between simulation and experimental results for the present application highlights the flexibility of the novel optimization methodology to design next generation HXs with improved performance and reduced volume, weight, and environmental impact.

42 ENGINEERING↗

A Cybersecurity Testbed for Smart Buildings

Smart buildings are equipped with a plethora of cyber-physical systems, such as Internet of Things (IoT) devices and building automation systems. These devices, especially in commercial buildings, use legacy communications and hardware that were not designed with cybersecurity in mind. With increasing cyber threats in recent years, smart buildings have become an increasing target for attacks, but not enough published data are available from these incidents to study or replicate the scenarios to defend buildings. As part of the U.S. Department of Energy-funded project focusing on developing the Building Intelligence with Layered Defense Using Security-Constrained Optimization and Security Risk Detection (BUILD-SOS) platform, we developed a cybersecurity test bed for smart buildings. This test bed includes a building simulation tool, virtual devices, emulated operational technology networks, and remote hardware-in-the-loop. Using this test bed, we performed different cyberattacks on the smart building model and collected both physical building data, to understand the impacts on the building, and network data, to aid in separating mechanical faults from cyberattacks during the detection. This test bed is a significant tool in protecting smart buildings from cyberattacks because it can aid in both cybersecurity analysis and the evaluation of other cyberattack detection tools by testing the tools in a secure environment without impacting the building operations.

cyber-physical systems↗

A Cybersecurity Testbed for Smart Buildings

Smart buildings are equipped with a plethora of cyber-physical systems, such as Internet of Things (IoT) devices and building automation systems. These devices, especially in commercial buildings, use legacy communications and hardware that were not designed with cybersecurity in mind. With increasing cyber threats in recent years, smart buildings have become an increasing target for attacks, but not enough published data are available from these incidents to study or replicate the scenarios to defend buildings. As part of the U.S. Department of Energy-funded project focusing on developing the Building Intelligence with Layered Defense Using Security-Constrained Optimization and Security Risk Detection (BUILD-SOS) platform, we developed a cybersecurity test bed for smart buildings. This test bed includes a building simulation tool, virtual devices, emulated operational technology networks, and remote hardware-in-the-loop. Using this test bed, we performed different cyberattacks on the smart building model and collected both physical building data, to understand the impacts on the building, and network data, to aid in separating mechanical faults from cyberattacks during the detection. This test bed is a significant tool in protecting smart buildings from cyberattacks because they can aid in both cybersecurity analysis and the evaluation of cyberattack detection tools by testing the tools in a secure environment without impacting the building operations.

alfalfa↗

FORCE Output Data Visualization

The Framework for Optimization of ResourCes and Economics (FORCE) is a collection of software tools, models, and datasets acquired and developed under the Integrated Energy Systems (IES) program to enable analysis of technical and economic viability of myriad IES configurations. Idaho National Laboratory is hosting a training session for FORCE users and developers, which is "Integrated Energy Systems Tools FORCE Overview and Training 2023." We will present data output visualization results with FORCE scenarios as examples and show how does the new design improve existing automated visualization for analysis results.

25 ENERGY STORAGE↗

Comparing Control Performance Between Simulation and Experiment using the Microreactor Automated Control System Testbed

In the advanced reactor domain, a flexible and scalable software/hardware infrastructure is crucial for integrating and validating various control technologies. This study used the Microreactor Automated Control System (MACS) hardware platform as a testbed. MACS was originally designed to mirror Idaho National Laboratory (INL)'s Microreactor Applications Research Validation and Evaluation (MARVEL), a 85-kW thermal fission microreactor. It features control drums for simulated reactivity control; lights that function as a surrogate reactor core, with the brightness being proportional to the reactor power; and light sensors that emulate neutron detectors. To transform MACS into a physical twin of MARVEL for evaluating control methods, the Control and Optimization Modular Modeling Application for Nuclear Deployment (COMMAND) software was employed. This software integrated the hardware with two models of the MARVEL core, based on Reactor Excursion and Leak Analysis Program (RELAP5-3D) and Monte Carlo N-Particle (MCNP) models. The study aimed to demonstrate the gap between control theory and actual practice—a gap that often necessitates empirical adjustments such as control gain retuning, filters, time discretization, and integrator anti-windup measures. Controllers were developed based on increasingly complex simulations without hardware, starting from the base MARVEL model and then introducing actuator saturation constraints and sensor noise. The final control strategy was then tested using MACS, and a comparative performance analysis was conducted.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

ETHOS: An automated framework to generate multi-fidelity constitutive data tables and propagate uncertainties to hydrodynamic simulations

Accurate constitutive data, such as equations of state and plasma transport coefficients, are necessary for reliable hydrodynamic simulations of plasma systems such as fusion targets, planets, and stars. Here, we develop a framework for automatically generating transport-coefficient tables using a parameterized model that incorporates data from both high-fidelity sources (e.g., density functional theory calculations and reference experiments) and lower-fidelity sources (e.g., average-atom and analytic models). The framework incorporates uncertainties from these multi-fidelity sources, generating ensembles of optimally diverse tables that are suitable for uncertainty quantification of hydrodynamic simulations. We illustrate the utility of the framework with magnetohydrodynamic simulations of magnetically launched flyer plates, which are used to measure material properties in pulsed-power experiments. We explore how changes in the uncertainties assigned to the multi-fidelity data sources propagate to changes in simulation outputs and find that our simulations are most sensitive to uncertainties near the melting transition. The presented framework enables computationally efficient uncertainty quantification that readily incorporates new high-fidelity measurements or calculations and identifies plasma regimes where additional data will have high impact.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Large-Scale Analysis to Optimize the Control and V2V Communication Protocols for CDA Agreement-Seeking Cooperation

Cooperative driving automation (CDA) Class C, agreement-seeking cooperation, is an innovative and practical solution that can promote cooperation among general passenger vehicles on the road. However, more comprehensive studies are needed before establishing the standard protocols of agreement-seeking cooperation, such as communication frequency and the duration of cooperation. Here, this article presents an initiative study on the impacts of communication capabilities on agreement-seeking cooperation. Through a large-scale analysis by regulating vehicle-to-vehicle (V2V) communication metrics, this work suggests desirable system parameters that can maximize the benefits of cooperation and ensure reliable operability while avoiding exhaustive communication loads. As the first step, an example agreement-seeking cooperation system is created for a car-following scenario, including decision-making and control algorithms for autonomous vehicles. Then, software-in-the-loop tests explore the performance of the developed system as it encounters various communication risks, such as latency and message packet drops. The system performance metrics are evaluated from various angles, including the time consumed for the agreement-seeking process, cooperation ratio, and the ratio of faulty cooperation. Energy saving from the cooperation is assessed by using simulation software that can run multiple high-fidelity vehicle models simultaneously. Based on the analyses, this article suggests the V2V communication requirements for the reliable operation of CDA agreement-seeking, which can be referred to when developing the standard protocols of agreement-seeking cooperation.

42 ENGINEERING↗

Benchmark Tracking System for Performance Monitoring

Benchmarking is essential for high-performance software development, particularly for monitoring performance across code iterations. This project focused on enhancing the benchmarking process for Lamellar, an asynchronous runtime for High-Performance Computing (HPC) systems developed at Pacific Northwest National Laboratory. Prior to this work, benchmark results were difficult to track and compare across code versions, presenting significant challenges in identifying performance regressions and long-term trends. The primary objective was to establish a systematic, reproducible approach for measuring performance and detecting regressions following code commits. Our methodology involved three key components: standardizing benchmark outputs, implementing data versioning, and developing analysis tools. We standardized the benchmark output format to JSON Line records containing specific fields (execution time, hardware specifications, and environmental variables). To address data management challenges, we evaluated several options and eventually chose a git repository dedicated to benchmark data. We developed a suite of Python tools that processed benchmark results, enriched them with metadata, and facilitated search in the repository. The resulting system enables more efficient filtering and comparison of performance metrics across commit histories, hardware configurations, and benchmark variants through a unified query interface. Our implementation reduces computational overhead by first checking for existing results through configuration matching before initiating new benchmark runs, thereby conserving resources. The system has been validated by Lamellar developers. It organizes results by benchmark type and build configurations for efficient retrieval. Future developments include a planned Large Language Model interface for predicting benchmark performance, incorporating the criterion package for statistical analysis, which will enable automated detection of statistically significant performance changes, and integration with continuous integration pipelines. Despite these enhancements being reserved for future work, this project has successfully provided the Lamellar development team with a framework for maintaining consistent performance standards and identifying optimization opportunities across workloads and hardware environments.

97 MATHEMATICS AND COMPUTING↗

Tailoring Molecular Space to Navigate Phase Complexity in Cs-Based Quasi-2D Perovskites via Gated-Gaussian-Driven High-Throughput Discovery

Cesium-based quasi-2D halide perovskites (HPs) offer promising functionalities and low-temperature manufacturability, suited to stable tandem photovoltaics. However, the chemical interplays between the molecular spacers and the inorganic building blocks during crystallization cause substantial phase complexities in the resulting matrices. To successfully optimize and implement the quasi-2D HP functionalities, a systematic understanding of spacer chemistry, along with the seamless navigation of the inherently discrete molecular space, is necessary. Herein, by utilizing high-throughput automated experimentation, the phase complexities in the molecular space of quasi-2D HPs are explored, thus identifying the chemical roles of the spacer cations on the synthesis and functionalities of the complex materials. Furthermore, a novel active machine learning algorithm leveraging a two-stage decision-making process, called gated Gaussian process Bayesian optimization is introduced, to navigate the discrete ternary chemical space defined with two distinctive spacer molecules. Through simultaneous optimization of photoluminescence intensity and stability that “tailors” the chemistry in the molecular space, a ternary-compositional quasi-2D HP film realizing excellent optoelectronic functionalities is demonstrated. Finally, this work not only provides a pathway for the rational and bespoke design of complex HP materials but also sets the stage for accelerated materials discovery in other multifunctional systems.

36 MATERIALS SCIENCE↗

Autonomous Tuning and Charge-State Detection of Gate-Defined Quantum Dots

Defining quantum dots in semiconductor-based heterostructures is an essential step in initializing solid-state qubits. With growing device complexity and increasing number of functional devices required for measurements, a manual approach to finding suitable gate voltages to confine electrons electrostatically is impractical. Here, we implement a two-stage device characterization and dot-tuning process, which first determines whether devices are functional and then attempts to tune the functional devices to the single or double quantum-dot regime. We show that automating well-established manual-tuning procedures and replacing the experimenter’s decisions by supervised machine learning is sufficient to tune double quantum dots in multiple devices without premeasured input or manual intervention. The quality of measurement results and charge states are assessed by four binary classifiers trained with experimental data, reflecting real device behavior. We compare and optimize eight models and different data preprocessing techniques for each of the classifiers to achieve reliable autonomous tuning, an essential step towards scalable quantum systems in quantum-dot-based qubit architectures.

Darulova, J↗

Preliminary Experiences with the Rexon UL-320-FDR: An Automated Thermoluminescent Dosimeter Reader with Removable Contact Heating Planchets and an Infrared Temperature Feedback System

The Rexon UL-320 FDR is a novel resistive-heating thermoluminescent dosimeter reader with a unique temperature measurement system and an automated dosimeter processing mechanism. The removable contact heating planchets have black-body adhesives on the back for capturing temperature information with infrared sensors. A heating cycle feedback loop ensures accurate, precise, and reproducible heating sequences. Heating rates between 0.8 and 40°C s -1 for up to 1,000 s are possible. Photomultiplier tube sensitivity and drift, dark current counts, and planchet glow were measured experimentally. Additionally, 25 LiF:Mg,Ti dosimeters were calibrated to demonstrate reader performance. Sensitivity was optimized at 1,200 V, which produced the highest reference light count to dark current count ratio while extending photomultiplier tube life. Dark current counts measured with typical time-temperature profiles for LiF:Mg,Ti were below 10 counts per channel but increased by up to 2.5% for more extreme heating cycles. Reader sensitivity drifts of up to 10% were observed during extended automated operations with typical time-temperature profiles. Total counts resulting from planchet glow decreased with faster heating rates. Calibrations performed with LiF:Mg,Ti dosimeters yielded results comparable to more established reader designs. Spikes were observed in ~3% of the glow curves from planchet dust and oil burning off at elevated temperatures. The use of N 2 gas and sensitivity drift corrections are recommended to improve dosimetry performance for the UL-320 FDR reader.

61 RADIATION PROTECTION AND DOSIMETRY↗

Enabling Modular Autonomous Feedback‐Loops in Materials Science through Hierarchical Experimental Laboratory Automation and Orchestration

Abstract Materials acceleration platforms (MAPs) operate on the paradigm of integrating combinatorial synthesis, high‐throughput characterization, automatic analysis, and machine learning. Within a MAP, one or multiple autonomous feedback loops may aim to optimize materials for certain functional properties or to generate new insights. The scope of a given experiment campaign is defined by the range of experiment and analysis actions that are integrated into the experiment framework. Herein, the authors present a method for integrating many actions within a hierarchical experimental laboratory automation and orchestration (HELAO) framework. They demonstrate the capability of orchestrating distributed research instruments that can incorporate data from experiments, simulations, and databases. HELAO interfaces laboratory hardware and software distributed across several computers and operating systems for executing experiments, data analysis, provenance tracking, and autonomous planning. Parallelization is an effective approach for accelerating knowledge generation provided that multiple instruments can be effectively coordinated, which the authors demonstrate with parallel electrochemistry experiments orchestrated by HELAO. Efficient implementation of autonomous research strategies requires device sharing, asynchronous multithreading, and full integration of data management in experimental orchestration, which to the best of the authors’ knowledge, is demonstrated for the first time herein.

36 MATERIALS SCIENCE↗