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At least 595 records · Page 33

Large Scale Bilevel Optimization for N-K SCOPF Using Adversarial Robustness

Ensuring a secure dispatch against multiple simultaneous outages has long been desired to maintain grid security in the presence of severe events, such as extreme weather phenomena. Traditionally denoted as N-k security constrained optimal power flow (N-k SCOPF), this problem is intractable to solve due to its size being combinatorial in the number of simultaneous outages and due to the non-convex nature of the AC network constraints. This hinders the use of N-k SCOPF for operating realistic-scale systems. In this paper, we introduce a methodology to scalably solve an AC-feasible dispatch that improves security over k simultaneous outages. Our methodology poses N-k SCOPF as a bilevel optimization problem and solves it using an adversarial robustness approach. We develop new efficient methods to solve each level of the bilevel optimization by employing knowledge of the physics of the underlying system. This yields significant improvements in speed and convergence that enable us to address the N-k SCOPF problem at scale. We demonstrate the effectiveness of our method by conducting a comprehensive analysis of an N-3 SCOPF for a 500-bus network. Furthermore, we emphasize the ability of our physics-driven techniques to handle larger systems by successfully scaling up to 12,000 buses.

24 POWER TRANSMISSION AND DISTRIBUTION↗

High-pressure neutron diffraction at ultra-low temperature

Neutron diffraction is a powerful tool in the study of quantum materials and associated emergent phenomena as it allows for direct detection of magnetic structure even at ultra-low temperatures. As pressure can drive systems across quantum critical points and tune emergent behaviors at the quantum scale, coupling neutron diffraction with extreme conditions of high pressure at (ultra-)low temperatures has been a key research target over decades. This has proven challenging as magnetic neutron diffraction typically requires large sample volumes due to flux limitations, whereas high-pressure studies require small sample volumes due to pressure limitations. Combining these two contradictory requirements poses many difficulties, but also brings opportunities in research and development. Here, we address these shortcomings through the use of a diamond anvil cell equipped with polycrystalline anvils with relatively large sample volumes coupled with the high neutron flux made available by the high-pressure diffractometer of the Spallation Neutron Source. This particular diamond anvil cell configuration has previously proven useful for single-crystal samples and is here coupled with the ultra-low temperatures of a dilution refrigerator for the first time. Our study on a single crystal of Yb 2 ⁢O 3 successfully collected magnetic neutron diffraction data at 5.3 GPa below 200 mK inside a dilution refrigerator. We have performed a detailed analysis of the magnetic diffraction data to investigate the magnetic structure under pressure and observed a subtle shift in the transition temperature. This development will open the door for future studies on magnetic materials with these much-desired coupled extremes of high pressure and ultra-low temperatures.

Wu, Yan [Oak Ridge National Laboratory (ORNL), Oak↗

High-performance multimode elastocaloric cooling system

Developing zero–global warming potential refrigerants has emerged as one area that helps address global climate change concerns. Various high-efficiency caloric cooling techniques meet this goal, but scaling them up to technologically meaningful performance remains challenging. We have developed an elastocaloric cooling system with a maximum cooling power of 260 watts and a maximum temperature span of 22.5 kelvin. These values are among the highest reported for any caloric cooling system. Its key feature is the compression of fatigue-resistant elastocaloric nitinol (NiTi) tubes configured in a versatile multimode heat exchange architecture, which allows the harnessing of both high delivered cooling power and large temperature spans. Our system shows that elastocaloric cooling, which only emerged 8 years ago, is a promising direction for commercializing caloric cooling.

Science & Technology - Other Topics↗

Optimization Formulations for Storage Devices with Disjoint Operating Modes

Optimizing State of Charge for Storage Resources Storage of generated energy has existed as a contributing resource within the power sector for more than a century in the case of pumped hydro storage. Even though most regional transmission organizations/independent system operators do not currently optimize state of charge (SOC) for storage, the SOC is an essential aspect of the operating characteristics of storage. This paper investigates the impact on computational performance of optimizing storage with explicit representation of SOC. To investigate the model, the paper considers two contexts, stand-alone and large-scale. Analysis of the stand-alone context helps to explain why the combination of features in the storage model results in a difficult problem. Numerical results for large-scale test cases verify that new tighter valid inequalities can improve the computation compared with the standard model in the literature.

Business & Economics↗

Development of an All-Aqueous Thermally Regenerative Redox Flow Battery to Support Fossil Fuel Assets

Low-temperature thermal energy, a largely untapped resource, holds significant promise for large-scale electrical power generation globally. Various stationary sources, including industrial entities and thermal power plants, emit considerable low-temperature heat that currently remains unutilized. This energy is often overlooked because its low temperature renders it unsuitable for efficient power generation using conventional methods. However, current research is exploring diverse technologies capable of converting low-temperature heat into grid-scale power, aiming to enhance grid efficiency, further decarbonization initiatives, and facilitate a shift toward more decentralized power systems. One such innovative technology is the thermally regenerative battery (TRB), noted for its high power and energy densities compared to similar technologies, positioning it as a potential game-changer in power generation. TRBs integrate two scalable and well-established unit operations: a redox flow battery and a distillation column. This integration suggests that once an effective TRB chemistry is established, the pathway to commercialization could be expedited. The copper-based thermally regenerative ammonia battery (Cu aq -TRAB) stands out as the first TRB that circumvents electrodeposition/dissolution reactions, stabilizing Cu(I) and Cu(II) within the electrolyte and maintaining stability of all electroactive species in an aqueous phase. This stabilization has led to improvements in coulombic efficiency, open circuit potential, and copper solubility, thereby enhancing power density, energy density, and overall energy efficiency. Preliminary tests were conducted to determine the effects of various electrolyte species on the performance metrics of the battery, both theoretically and experimentally. These tests revealed that the solubility of copper in the Cu aq -TRAB electrolyte was constrained by the Cu(I)-NH 3 complex. Adjusting the background electrolyte to 5 M NH4Br and the ligand concentration to 4 M NH 3 enabled the copper concentration to reach a maximum of 0.6 M. This modification led to an estimated theoretical maximum energy density of 9.5 Wh L -1 for the Cu aq -TRAB. Additionally, full cell testing indicated a tradeoff between peak power and energy density with varying copper and ammonia concentrations. Increasing the applied current density during discharge linearly raised the average power output, with a minimal reduction in energy density due to a balance between higher ohmic overpotential and reduced time for undesirable ammonia crossover. Furthermore, a comprehensive numerical sensitivity analysis of the complete Cu aq -TRAB system was performed. This analysis aimed to assess how the battery and the distillation column responded to changes in system input parameters, providing insights into optimal research directions for enhancing system performance. The analysis revealed that at room temperature, battery power was significantly more sensitive to ohmic losses than to mass transfer, with reaction rates having minimal impact. This trend continued even at higher temperatures. Also, the thermal energy required for ammonia separation was studied, showing that increased temperatures generally reduced energy requirements, except in low-pressure scenarios above 65 °C. An investigation into membrane performance in the Cu aq -TRAB was undertaken, given the significant impact of ammonia transport control and ohmic losses on system performance. Various membranes were evaluated to identify key performance metrics. Among the tested membranes, Selemion CMVN exhibited the highest performance, with a peak power density of 84 mW cm -2 and average values of 26 ± 6.8 mW cm -2 for power density and 2.9 Wh L -1 for energy density at an applied current density of 50 mA cm -2 . An economic assessment indicated a levelized cost of storage at $410 per MWh under optimal conditions, highlighting the commercial potential of the Cu aq -TRAB when utilizing cost-effective, readily available materials.

25 ENERGY STORAGE↗

Deep Learning Super-Resolution X-Ray Computed Tomography Algorithms for Additive Manufacturing

Industrial X-ray computed tomography (XCT) is a nondestructive method for inspection and characterization of additively manufactured (AM) materials and parts. In practice, the resolution of XCT can be limited by factors such as detector binning, restricted field of view for large-scale objects, system blur, motion during scanning, and acquisition settings. These limitations can reduce the detectability of critical flaws such as pores, cracks, and lack of fusion. Super-resolution (SR) techniques offer a promising solution for improving the effective resolution and image quality of XCT reconstructions without the need for expensive hardware upgrades or laborious, time-consuming scans. In particular, deep learning-based SR methods have garnered attention in recent years as powerful tools for reconstructing high-resolution volumes from low-resolution inputs. In this work, a novel deep learning-based SR method is proposed for XCT scans of AM parts, and compared against several existing state-of-the-art (SOTA) methods. The proposed method, Simurgh-SR, is built on the pre-existing Simurgh framework and consists of a 2.5D U-Net trained to map low-quality inputs containing noise and artifacts to high-quality reconstructions characterized by higher flaw contrast, better noise texture, and reduced artifacts. The experimental results demonstrate superior performance of Simurgh-SR in performing 4× SR on real industrial XCT scans of thick 316L components, enhancing the structural similarity score and peak signal-to-noise ratio (>7dB) compared to the LR counterpart while improving the F1-score for flaw detection by more than 2.3× when compared to alternative SOTA SR methods. This improvement enables more accurate and significantly faster characterization of metal AM components. Additionally, Simurgh-SR was trained for both 2X and 4X SR and performs effectively at both levels, enabling the use of a single model for various SR factors.

Rahman, Obaid [ORNL] (ORCID:0000000277810840)↗

Computational Algorithms for Unit Commitment with AC Power Flows (Final Report)

Security-constrained unit commitment (SCUC) is a key component in power system operations. When AC power flow constraints are considered in the SCUC model (AC-SCUC), the problem becomes extremely difficult due to its discrete and non-convex nature, as described in “Grid Optimization Competition Challenge 3 Problem Formulation (GOCC)”. There are four main challenges: (i) Discrete decisions regarding unit online/offline status and start-up/shut-down procedures for every single unit. The number of discrete decision variables increases considerably when a system integrates multiple generators; (ii) Configuration-based combined-cycle formulations, and multi-commodity models that include ramping products, spin/non-spin products, and regulation up/down products. The combined-cycle units introduce additional discrete decision variables and auxiliary service products further complicate the model by connecting multi-commodity products’ continuous and discrete variables; (iii) SCUC models with AC power flow constraints are far more complex due to massive bilinear terms in the large-scale nonlinear power balance equations. The nonlinear power balance equations are further complicated by the discrete step control variables of shunts; (iv) N − 1 contingency analysis. The size of the model increases linearly with the number of contingencies considered, greatly increasing the size of the optimization model. Accordingly, there is an emergent need to develop a robust algorithm capable of deriving a high-quality solution in a short time and passing through contingency tests simultaneously. In this project, we explore innovative techniques to address this challenging problem by integrating advanced polyhedral theory, approximation methods, relaxation strategies, decomposition techniques, and parallel computing. Each technique approaches the problem from a different perspective, leveraging its specific strengths to tackle distinct challenges. Each individual method has demonstrated its effectiveness in the PI’s previous research. Their integration is expected to significantly reduce the computational time required to solve the proposed complex problem. Successful completion of this project has the potential to transform the industry by enhancing optimization solvers capable of handling large-scale day-ahead energy market clearing models within strict time constraints, while incorporating AC power flow constraints. This advancement will lead to reduced overall generation costs and, consequently, increased social welfare.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

System modeling for grid-interactive efficient building applications

Despite the abundance of research applications of system modeling in grid-interactive efficient buildings (GEBs), the transfer of those applications to real-world practices is still in its early stages. This is partially due to the lack of a summary on how system modeling should be established for a given application of GEBs. Here, we fill this gap by providing an extensive survey of the literature on system modeling for different GEBs that have been produced in the past decade. This survey involves over 300 relevant journal articles from the building community, the power system community, and the society of control. Specifically, we first identified key requirements of system modeling for GEBs based on various types of applications discussed in those publications. We then summarized the system modeling applications from those publications, in terms of their assumptions, modeling approach, and simulation. After that, we analyzed different assumptions made for various applications, the extent to which those modeling approaches satisfied the key requirements, and how those approaches can be scaled up for large-scale applications, which are quite common in GEBs. In addition, we gave insights on how to use system modeling for different applications in GEBs. At the end, we provided recommended directions for future studies to fully unleash the potentials of system modeling to support GEBs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Accelerated steady-state electrostatic particle-in-cell simulation of Langmuir probes

First-principles particle-in-cell (PIC) simulation is a powerful tool for understanding plasma behavior, but this power often comes at great computational expense. Artificially reducing the ion/electron mass ratio is a time-honored practice to reduce simulation costs. Usually, this is a severe approximation. However, for steady-state collisionless, electrostatic (Vlasov–Poisson) systems, the solution with reduced mass ratio can be scaled to the solution for the real mass ratio, with no approximation. This “scaled mass” method, which works with already-existing PIC codes, can reduce the computation time for a large class of electrostatic PIC simulations by the square root of the mass ratio. The particle distributions of the resulting steady state must be trivially rescaled to yield the true distributions, but the self-consistent electrostatic field is independent of the mass ratio. This method is equivalent to “numerical timestepping,” an approach that evolves electron and ion populations with different time steps. Numerical timestepping can be viewed as a special case of the speed-limited PIC (SLPIC) method, which is not restricted to steady-state phenomena. Although the scaled-mass approach is simplest, numerical timestepping and SLPIC more easily generalize to include other effects, such as collisions. The equivalence of these new approaches is demonstrated by applying them to simulate a cylindrical Langmuir probe in electron–argon plasma, speeding up simulation by two orders of magnitude. Methods such as SLPIC can therefore play an invaluable role in interpreting probe measurements by including geometric effects, collisions, secondary emission, and non-Maxwellian distributions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Real-time Electromagnetic Transient Simulation of Multi-Terminal HVDC-AC Grids based on GPU

High-fidelity electromagnetic transient (EMT) simulation plays a critical role in understanding the dynamic behavior and fast transients involved in operation, control, and protection of Multi-Terminal dc (MTdc) grids. Here, this paper proposes a cost-effective high-performance real-time EMT simulation platform for large-scale cross-continental MTdc grids based on graphics processing unit (GPU). The proposed simulation platform: i) assembles detailed EMT models of all components within an MTdc-ac grid into a single platform. This setup provides a complete simulation solution to capture fast transient signals required for high-bandwidth controller design and protection studies without any compromise; ii) implements the first GPU-based simulation architecture and corresponding algorithms for MTdc-ac grids with real-time performance at scales of 1s; iii) is highly-efficient and balances the high utilization of GPU resources and low latency required for the simulation; and iv) outperforms the existing central processing unit (CPU)- or digital signal processor (DSP)/field-programmable gate array (FPGA)-based simulators in terms of its higher scalability on large-scale MTdc-ac grids and superior price-performance ratio on the hardware. Accuracy and performance of the proposed platform are evaluated with respect to the reference results from PSCAD/EMTDC environment.

24 POWER TRANSMISSION AND DISTRIBUTION↗

MADA: Multi-Agent Design Assistant

MADA (Multi-Agent Design Assistant) is a Large Language Model (LLM) powered multi-agent framework that coordinates specialized agents for complex design workflows. The system was designed for HPC workflows with the following agents in mind: 1) A Job Management Agent (JMA) launches and manages ensemble simulations on HPC systems, 2) a Geometry Agent (GA) generates meshes, and 3) an Inverse Design Agent (IDA) proposes new designs informed by simulation outcomes. Our framework reduces cumbersome manual workflow setup, and enables automated design exploration at scale. However, the software also enables users to rapidly create new multi-agent systems. Simply define new agents in a configuration file, giving each their own set of tools (via MCP), and then chat and prompt your new multi-agent system. Is

Gunnarson, BrianS [Lawrence Livermore National Lab↗

Seamless Hybrid-integrated Interconnect NEtwork (SHINE)

Large-scale date centers are becoming increasingly limited by the capacity of interconnects due to the rapid increasing power consumption and bandwidth demands driven by the rigorous down scaling of CMOS critical dimensions in according with the Moore’s Law. As a result of the continuing bandwidth scaling, optical interconnects based on parallel optics, where data are simultaneously transmitted along more than one lane, have becoming a preferred interconnected solution over copper cables. To building an efficient optical interconnect system, optical coupling between different elements, such as optical fibers, photonics chips, is a critical step, which is challenging due to the mode mismatch of varies optical ports. In this project, we proposed and demonstrated an optical interfacing scheme, which provided a light coupling approach with low energy loss, broadband operation, high alignment tolerance and compatible with scalable fabrication and testing. Here, the mode transformation is achieved by a total internal reflection from a chip integrated microscale freefrom surface. Due to the enormous light wavefront manipulating ability associated with the gigantic design space, the freeform couplers platform is universally applicable to a wide range of optical coupling scenarios, such as the interfacing between a waveguide to a fiber, another waveguide, surface normal device, or free space.

42 ENGINEERING↗

Integrating Analytical Solutions and U-Net Model for Predicting Groundwater Contaminant Plumes in Pump-and-Treat Systems

Pump-and-treat (P&T) is a common technique for groundwater remediation involving the extraction and treatment of contaminated water above ground. Optimizing the design and operation of the P&T well network is essential for maximizing the system’s effectiveness and efficiency. However, this optimization often necessitates many model evaluations, leading to computationally demanding tasks. This study introduces a novel approach that integrates analytical solutions for groundwater dynamics with the U-Net (Ronneberger et al., 2015) deep learning framework to predict groundwater contaminant plume migration under dynamic pumping conditions. By incorporating the Thiem equation (Thiem, 1906) into the input preprocessing, the U-Net model transforms sparse well data into a continuous spatial field that captures the hydraulic impacts of pumping activities. This integration enables the model to leverage both deep learning capabilities and classical physics-based groundwater theories, enhancing prediction accuracy and computational efficiency. These advancements can facilitate rapid, large-scale evaluations of P&T optimization simulations, allowing for timely and effective decision-making in well placement and system management. We demonstrate the model's robust performance across both simplified transient 2D models and a more complex 3D heterogeneous site model at the 200 West P&T facility at the Hanford Site. The U-Net-based model offers substantial computational advantages, reducing simulation times significantly compared to full physics-based models and providing a powerful tool for rapid site evaluation and P&T system optimization, such as evaluating alternative P&T well network designs. Our findings highlight the potential of advanced machine learning models to significantly enhance the efficiency and sustainability of groundwater remediation efforts, offering a novel application of U-Net architecture in environmental science.

Pump-and-treat↗

Arrested-motility states in populations of shape-anisotropic active Janus particles

The emergence of large-scale collective phenomena from simple interactions between individual units is a hallmark of active matter systems. Active colloids with alignment-dominated interparticle interactions tend to develop orientational order and form motile coherent states, such as flocks and swarms. Alternatively, a combination of self-propulsion and excluded-volume interactions results in self-trapping and active phase separation into dense clusters. Here, we reveal unconventional arrested-motility states in ensembles of active discoidal particles powered by induced-charge electrophoresis. Combining experiments and computational modeling, we demonstrate that the shape asymmetry of the particles promotes the hydrodynamically assisted formation of active particles’ bound states in a certain range of excitation parameters, ultimately leading to a spontaneous collective state with arrested motility. Unlike the jammed clusters obtained through self-trapping, the arrested-motility phase remains sparse, dynamic, and reconfigurable. The demonstrated mechanism of phase separation seeded by bound state formation in ensembles of oblate active particles is generic and should be applicable to other active colloidal systems.

42 ENGINEERING↗

A Scalable Hardware-and-Human-in-the-Loop Grid-interactive Efficient Building Equipment Performance Dataset

This project developed a publicly available, high-fidelity dataset about the interactions among humans, homes, and heat pumps supporting grid interactive efficient buildings to balance demand on the grid with comfort for occupants. Laboratory measurements and simulations of the hardware capture the second-scale electric power dynamics of heat pumps providing grid services like load shifting and load shedding. Field measurements, behavior tracking, and qualitative surveys of people in their homes over multiple years—including experimentally adjusting the heating and cooling system to provide grid services—to capture the reciprocal effect of human behavior on grid services, and grid services on human comfort. Taken together, these data capture the complete Hardware and Human in the loop system for residential heat pumps, reducing large uncertainties in simulation for design, and models for control of heat pumps, and grid-interactive buildings.

24 POWER TRANSMISSION AND DISTRIBUTION↗

ARCH: Large-scale knowledge graph via aggregated narrative codified health records analysis

Objective: Electronic health record (EHR) systems contain a wealth of clinical data stored as both codified data and free-text narrative notes (NLP). The complexity of EHR presents challenges in feature representation, information extraction, and uncertainty quantification. Here, to address these challenges, we proposed an efficient Aggregated naRrative Codified Health (ARCH) records analysis to generate a large-scale knowledge graph (KG) for a comprehensive set of EHR codified and narrative features. Methods: Using data from 12.5 million Veterans Affairs patients, ARCH first derives embedding vectors and generates similarities along with associated p-values to measure the strength of relatedness between clinical features with statistical certainty quantification. Next, ARCH performs a sparse embedding regression to remove indirect linkage between features to build a sparse KG. Finally, ARCH was validated on various clinical tasks, including detecting known relationships between entity pairs, predicting drug side effects, disease phenotyping, as well as sub-typing Alzheimer’s disease patients. Results: ARCH produces high-quality clinical embeddings and KG for over 60,000 codified and narrative EHR concepts. The KG and embeddings are visualized in the R-shiny powered web-API.3 ARCH achieved high accuracy in detecting EHR concept relationships, with AUCs of 0.926 (codified) and 0.861 (NLP) for similar EHR concepts, and 0.810 (codified) and 0.843 (NLP) for related pairs. It detected drug side effects with a 0.723 AUC, which improved to 0.826 after fine-tuning. Using both codified and NLP features, the detection power increased significantly. Compared to other methods, ARCH has superior accuracy and enhances weakly supervised phenotyping algorithms’ performance. Notably, it successfully categorized Alzheimer’s patients into two subgroups with varying mortality rates. Conclusion: The proposed ARCH algorithm generates large-scale high-quality semantic representations and knowledge graph for both codified and NLP EHR features, useful for a wide range of predictive modeling tasks.

Electronic health records↗

Active liquid crystals powered by force-sensing DNA-motor clusters

Significance Single-molecule techniques have elucidated how isolated molecular motors generate piconewton forces with unprecedented detail. However, in diverse biological and synthetic settings, force-generating proteins collectively power nonequilibrium dynamics, including continuous large-scale rearrangements and persistent fluid flows. Characterizing motor-generated forces in these dense and dynamical environments remains a challenge. We assembled a reversible DNA-based force-sensing probe that, by an optical readout, reveals the molecular arrangements and the force loads experienced by kinesin motors. These probes provide insight into motor-generated forces that collectively power the unique dynamics of microtubule-based active nematics, a noteworthy example of an internally driven active matter system. DNA-based force probes can be extended to study forces and stresses in various synthetic systems as well as diverse cellular environments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Lifetime fatigue response due to wake steering on a pair of utility-scale wind turbines

Quantifying the impacts on turbine loads during wind farm control is an important consideration in assessing power production benefits. Wake steering controls aim to improve total wind farm performance by coordinating the control actions of individual turbines, wherein an upstream turbine is intentionally yawed at an offset angle from the measured wind direction. Consequently, this redirects its wake for improved power production and potentially reduces fatigue loads of the downstream turbines. This paper studies the lifetime fatigue loads associated with wake steering by using utility-scale wind turbine experimental data to conduct an analysis on a pair of wind turbines. This study was part of a large field experiment in which a group of five GE 1.5-MW SLE CWE turbines were selected as targets for conducting wake steering research. A standard loads instrumentation package and data acquisition system were installed on two turbines within the cluster to measure turbine fundamental loads. The time-series databases were used to calculate loads statistics as well as short-term and lifetime damage equivalent loads. Fatigue calculations followed the guidance in Annex H of the International Electrotechnical Commission standard 61400-1, Edition 4. Lifetime fatigue calculation results are presented in this analysis; three methods of assessing lifetime fatigue were used to determine percent difference for blade root moments, main shaft moments, main shaft torque, and tower top torque. For all three fatigue treatments, some components’ lifetime fatigue increases for the controlled turbine; however, the downwind turbine experienced a reduction in lifetime fatigue and combined effect for the turbine pair results in a reduction of fatigue when wake steering controls are applied.

17 WIND ENERGY↗