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At least 901 records · Page 50

Ten questions concerning Large Language Models (LLMs) for building applications

Large Language Models (LLMs) are emerging as powerful AI tools capable of transforming how building information is collected, processed, analyzed, and applied across diverse research areas. Their capabilities can help building operators, facility managers and other stakeholders such as designers, architects and engineers by providing actionable insights for decision-making across planning, construction, operations, and maintenance of buildings and facilities. This paper explores ten key questions concerning the role of LLMs in shaping sustainable, intelligent, and human-centric buildings. From fundamental definitions to advanced applications, we examine how LLMs facilitate decision-making across the life cycle of buildings and energy systems. LLMs can enhance life cycle assessments (LCA), building energy simulations, and real-time data integration, empowering more efficient and adaptive human-AI environments. They can also contribute to streamlining regulatory compliance, improving post-occupancy evaluations, and fostering more inclusive and participatory design processes. Additionally, this paper addresses the ethical challenges posed by LLMs, such as bias, data privacy, and environmental impacts, and explores their potentials in advancing intelligent digital twins (DT) for ongoing building operations and maintenance. Built upon our applied research using LLMs and the review of tools, datasets, and research gaps, we provide a forward-looking perspective on how LLMs can drive innovation, collaboration, and productivity in the built environment while supporting ethical and effective implementation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Predicting Critical Transitions in Multiscale Data

Predicting the dynamics of complex nonlinear systems remains a challenging problem both in dynamical systems theory as well as real world science and engineering applications. Data-driven methods utilizing the latest advances in machine learning (ML) provide a promising new paradigm for this task. Our work centered on Reservoir Computing (RC), which has shown itself to be capable of skillfully predicting chaotic dynamics in multiscale systems. In the first part of the work, the focus is on how to improve predictions of critical transitions in a class of slow-fast metastable systems in which the equations are known. An additional goal was to determine whether a relationship exists between RC and Koopman operator theory, to improve the efficiency and broaden the applicability of the approach. In the second part of this work, a variation on the RC model known as Reconstructive Reservoir Computing (RRC) is applied to real-world data to identify anomalies.

97 MATHEMATICS AND COMPUTING↗

Sensitivity and Importance Measure Analyses for Various Design Architectures for High Safety-Significant Safety-Related Digital Instrumentation and Control Systems of Nuclear Power Plants

A transition from analog instrumentation and control (I&C) technologies to digital I&C technologies is taking place for license renewals of existing nuclear power plants and for operating licenses of new advanced reactors. This transition necessitates research on risk and economic assessments of digital I&C technologies to ensure the long-term safety and reliability of vital systems, reduce uncertainty in licensing costs in addition to timeline, support integration of digital I&C systems in the plant, and find the most efficient technology upgrades. Adding redundancy within systems or components is a common means of improving design safety; however, it can also make designs more prone to common-cause failures (CCFs). Introducing diversity into redundant systems or components is a way to mitigate and possibly eliminate CCFs, but it also increases plant complexity and may be costly. The balance between redundancy and diversity remains a challenge for digital I&C systems. This study performs sensitivity and importance analyses for four design architectures of two digital I&C systems—the reactor-trip system and the engineered safety features actuation system. For each system, two architectures are examined, including a redundant, non-diverse configuration and a redundant, diverse configuration. The sensitivity analysis will provide insights on the impact of introducing diversity to system reliability. The importance results will help identify risk-significant and risk-sensitive components and failure modes, which may be good candidates for future design improvement.

99 GENERAL AND MISCELLANEOUS↗

Advanced Permanent Magnet Generator Topologies Using Multimaterial Shape Optimization and 3D Printing: Preprint

A vast majority of utility-scale wind turbine generators in the United States are dependent on foreign- sourced rare-earth permanent magnets that are vulnerable to supply chain uncertainties. Many small wind original equipment manufacturers are motivated to pursue continuous improvements to the generator design to lower the material and production costs and improve performance by lowering cogging torque and increasing the efficiency. Traditional design and manufacturing offer limited opportunities. In this work, we demonstrate advanced design approaches for a 15-kW baseline wind turbine generator by making use of recent progress in three-dimensional (3D) printing of polymer- bonded magnets and, electrical and structural steel. We explore three methods of magnet parametrization using Bezier curves resulting in symmetric, asymmetric and multimaterial magnet designs. We employ a multiphysics approach combining parametric computer-aided design modeling, finite- element analysis and targeted sampling to identify novel designs with more opportunities for reducing rare-earth material, improving efficiency and minimizing cogging torque. The results show that asymmetric-pole design and multimaterial-pole designs offer a greater opportunity to minimize rare-earth magnet materials by up to 35% with similar performance as the baseline generator, suggesting newer opportunities with design freedom beyond traditional limits of symmetry and as allowed by 3D printing.

Bezier curves↗

Efficient and Robust Dynamic Simulation of Power Systems With Holomorphic Embedding

Dynamic simulation is vitally important in power system analysis, but traditional approaches based on numerical integration over small time steps are time-consuming. Also, the Newton-Raphson method suffers from difficulty in convergence when solving nonlinear algebraic equations. In this paper, we propose a novel dynamic simulation approach based on holomorphic embedding. By obtaining a high-order approximation of system dynamics, it achieves a much larger time step and thus enhances the computational efficiency significantly. In addition, the new approach avoids non-convergence issues in solving algebraic equations, which improves robustness. The approach includes flexible modeling of synchronous generators and controllers, and we propose a method for modeling generator coordinate transformations. The approach is tested on the IEEE 39-bus, 10-generator system and a Polish 2383-bus, 327-generator system. The results demonstrate promising computational efficiency and satisfactory numerical robustness for the analysis of large-scale power systems.

42 ENGINEERING↗

U.S. Industrial and Commercial Motor System Market Assessment Report. Volume 3: Energy Saving Opportunity

This report seeks to inform the potential for motor systems to support decarbonization by estimating their potential energy, electricity cost, and CO 2 emissions reduction potential from adoption of proven energy efficiency actions and advanced technologies. This is the third and final report in a series of reports disseminating the findings of the U.S. Department of Energy’s (DOE’s) Motor System Market Assessment (MSMA). The MSMA and this report focus on polyphase motor systems greater than or equal to 1 horsepower (hp) in the industrial and commercial sectors. In the U.S. Industrial and Commercial Motor System Market Assessment Report Volume 1: Characteristics of the Installed Base (Volume 1 report), it was determined that these motor systems consume more than 1,000 terawatt-hours (TWh) annually. This equates to 29% of the U.S. electric grid load and results in 765 million metric tons (MMT) of CO 2 emissions and $166 billion in electricity costs. This report finds that substantial reductions to these energy, cost, and emissions impacts are possible, with three areas of significant opportunity being (1) improved load matching, (2) replacing older inefficient motors with more efficient motors, and (3) improving the condition of fluid (e.g., air, water, compressed air) distribution systems. A summary of the savings potential from these three opportunities placed within the context of the overall consumption for motor systems is illustrated in Figure ES 1 (industrial) and Figure ES 2 (commercial).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Parameters of fast and high-yield InAs/GaAs quantum dot semiconductor scintillator

InAs quantum dots (QDs) embedded into a waveguiding GaAs semiconductor matrix may produce scintillation detectors with exceptional speed and yield, making them valuable for nuclear security, medical imaging, and high energy physics applications. In this work, we developed thick (~25 μm) epitaxial heterostructres with high luminescence efficiency composed of self-assembled nano-engineered InAs QDs grown by molecular beam epitaxy. Here, the bulk GaAs acts as a stopping material for incident particles and as a waveguide when layer-transferred onto a low-index substrate. Waveguiding and self-absorption (< 1 cm –1 ) were studied using photoluminescence with scanning laser excitation and modeled with ray optics approximation and geometrical coupling of high-index waveguide to a collection fiber. Scintillating signals from α-particles were analyzed with an external photodiode (PD) and an integrated PD which provided an improved optical coupling. The mean charge collected by the integrated PD corresponded to 3 × 10 4 photoelectrons per 1 MeV of deposited energy, or ~13% of the theoretically achievable light yield. Combined with the previously measured QD scintillation time of 0.3-0.6 ns, this makes the InAs/GaAs QD heterostructures the fastest high yield scintillation material reported.

36 MATERIALS SCIENCE↗

Validating Connected, Automated, and Electric Vehicle Models and Simulation - Research Performance Progress Report

The objective of this project is to test connected and automated vehicles with both electrified and internal combustion engine powertrains to support updates and validation of modeling and simulation tools. This includes the development of the components and network architecture to execute and collect empirical data for multiple scenarios and traffic interactions. Specific program objectives include: • Translate Lab algorithms into vehicle and infrastructure controls • Conduct physical testing at realistic scale • Evaluate system performance • Improve models using empirical data • Improve control algorithms from lessons learned • Identify system and algorithm assumptions which need refinement It is important to note that the objective of this project was not to demonstrate the efficacy of the selected algorithms to improve energy efficiency but rather to validate and improve modeling and simulation tools using empirical data. While it is a desirable outcome to concurrently demonstrate improved energy efficiency through use of these algorithms, and in most cases that was the outcome, the success of this project was not predicated on the performance of the algorithm towards improving energy efficiency across all scenarios and test matrices.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A Scalable Reduced‐Order Model for the Steady Navier–Stokes Equations

Scaling up new scientific technologies from laboratory to industry often involves demonstrating performance on a larger scale. Computer simulations can accelerate design and predictions in the deployment process, though traditional numerical methods are computationally intractable even for intermediate pilot plant scales. Recently, the component reduced order modeling method has been developed to tackle this challenge by combining projection reduced order modeling and discontinuous Galerkin domain decomposition. However, while many scientific or engineering applications involve nonlinear physics, this method has only been demonstrated for various linear systems. In this work, the component reduced order modeling method is extended to steady Navier–Stokes flow, with application to general nonlinear physics in view. The large‐scale, global domain is decomposed into a combination of small‐scale unit component. Linear subspaces for flow velocity and pressure are identified via proper orthogonal decomposition over sample snapshots collected from each small‐scale unit component. Velocity bases are augmented with a pressure supremizer to satisfy the inf–sup condition for stable pressure prediction. Two different nonlinear reduced order modeling methods are employed and compared for efficient evaluation of nonlinear advection: A third‐order tensor projection operator and the empirical quadrature procedure. The proposed method is demonstrated on the flow over arrays of five different unit objects, achieving a 23‐fold speedup with less than 4% relative error in domains up to 256 times larger than the unit components. Furthermore, a numerical experiment with the pressure supremizer strongly indicates the need for a supremizer for stable pressure prediction. A comparison between the tensorial approach and the empirical quadrature procedure revealed a slight advantage of the empirical quadrature procedure. The framework is compared with an alternating Schwarz‐based reduced‐order approach, demonstrating improved efficiency and robustness for the DG‐based global solver while retaining flexibility for sub‐scale iterative solvers. The method is further extended to a coupled advection–diffusion and Navier–Stokes system, illustrating its applicability to multi‐physics problems and its potential for more general, inter‐coupled nonlinear systems.

42 ENGINEERING↗

Tailoring Molecular-Scale Contact at Perovskite/Polymeric Hole Transporting Material Interface for Efficient Solar Cells

Perovskite solar cells (PSCs) have delivered more than 25% of power conversion efficiency (PCE) and incorporating polymers as hole transporting layers (HTLs) can further enhance the stability of devices towards the goal of commercialization. Among various polymeric hole transporting materials, poly(triaryl amine) (PTAA) is one of the promising HTL candidates with good stability; however, the hydrophobicity of PTAA causes problematic interfacial contact with perovskite, limiting the device performance. Using molecular side-chain engineering, we successfully constructed a uniform two-dimensional (2D) perovskite interlayer with conjugated ligands, between three-dimensional (3D) perovskites and PTAA. Further, employing conjugated ligands as cohesive elements, perovskite/PTAA interfacial adhesion was significantly improved. As a result, the thin and lateral extended 2D/3D heterostructure enabled the as-fabricated PTAA-based PSCs to achieve a PCE of 23.7%, improved from the 18% of reference devices. Owing to the increased ion migration energy barrier and conformal 2D coating, unencapsulated devices with the new ligands exhibited both superior thermal stability under 60°C heating and moisture stability in ambient conditions.

14 SOLAR ENERGY↗

Differentiable hybrid neural network approach for enhancing reactor dynamics simulations

Reactor dynamics simulations provide essential insights into the time-dependent behavior of nuclear reactors under various operating conditions. However, high-fidelity simulations can be computationally intensive, requiring significant computational resources. Here, to address this challenge, this study employs a differentiable hybrid model that utilizes neural networks as a corrector to enhance the performance of a low-fidelity simulation, aligning its predictions with those of a high-fidelity simulation. Low-fidelity and high-fidelity simulations were obtained by adjusting the mesh size in the System Dynamics Analysis Tool. The differentiable hybrid model was trained in two approaches: time-step-wise and sequence-wise. It was then applied to simulate various transients in a molten salt reactor. Its performance was evaluated by comparing its responses to transients against those of the high-fidelity simulation. An additional approach was performed using a data-driven model to correct the low-fidelity simulation. In comparison, the differentiable hybrid model showed significant improvements in transient prediction, effectively addressing the limitations of the low-fidelity simulations. The results highlighted the robustness of the differentiable hybrid model in both training approaches. It delivered simulations that were at least 3.8 times faster than high-fidelity models. In the time-step-wise approach, it achieved at least a 39% improvement in accuracy. In the sequence-wise approach, it showed at least an 81% accuracy improvement over the full transient. This approach offers a promising path for improving computational efficiency without compromising accuracy in nuclear reactor simulations, making it suitable for real-time digital twin applications.

42 - ENGINEERING↗

An algorithm for resolving intragranular orientation fields using coupled far-field and near-field high energy $\mathrm{X}$-ray diffraction microscopy

Here, we present a novel algorithm for reconstructing spatial intragranular lattice orientation fields using both far-field and near-field high energy X-ray diffraction microscopy (HEDM) measurements. An established far-field indexing algorithm is modified to include lattice orientation distribution information (grain orientation envelopes) in addition to average grain orientations. The near-field data reduction algorithm utilizes this enriched far-field orientation data as a seed for reconstructing intragranular spatial maps of lattice orientation from the diffraction images. The primary benefit of the new algorithm is a significant decrease in the number of trial calculations that must be performed in the reconstruction process compared to existing methodologies while maintaining scalability. The resulting gains in efficiency facilitate the use of relatively modest computational resources and improve throughput at the point of measurement. We provide two example applications: volumetric orientation field reconstructions for a Ti-Al alloy both before and after the application of 3% uniaxial strain. The results showcase the efficiency of the new method and the ability to resolve subtle changes in microstructure, which are associated with incipient plastic deformation.

36 MATERIALS SCIENCE↗

Large language models generate functional protein sequences across diverse families

Deep-learning language models have shown promise in various biotechnological applications, including protein design and engineering. Here, in this paper, we describe ProGen, a language model that can generate protein sequences with a predictable function across large protein families, akin to generating grammatically and semantically correct natural language sentences on diverse topics. The model was trained on 280 million protein sequences from >19,000 families and is augmented with control tags specifying protein properties. ProGen can be further fine-tuned to curated sequences and tags to improve controllable generation performance of proteins from families with sufficient homologous samples. Artificial proteins fine-tuned to five distinct lysozyme families showed similar catalytic efficiencies as natural lysozymes, with sequence identity to natural proteins as low as 31.4%. ProGen is readily adapted to diverse protein families, as we demonstrate with chorismate mutase and malate dehydrogenase.

59 BASIC BIOLOGICAL SCIENCES↗

A Resonant Metamaterial Line Array for Ultrasound Compressive Imaging

Abstract Acoustic metamaterials have been proposed for numerous applications including subwavelength imaging, impedance matching, and lensing. Yet, their application in compressive sensing and imaging has not been fully investigated. When metamaterials are used as resonators at certain frequencies, they can generate random radiation patterns in the transmitted waves from the transducers and received waves from a target. Compressive sensing favors such randomness inasmuch as it can increase incoherence by decreasing the amount of mutual information between any two different measurements. This study aims at assessing whether the use of resonating metamaterial unit cells in a single-layered non-optimized array between a number of ultrasound transceivers and targets can improve the sensing capacity, point-spread function of the sensing array (their beam focusing ability), and imaging performance in point-like target detection. The theoretical results are promising and can open the way for more efficient metamaterial designs with the aim of enhancing ultrasound imaging with lower number of transceivers compared to the regular systems.

Acoustics↗

Thread Batching for High-performance Energy-efficient GPU Memory Design

Massive multi-threading in GPU imposes tremendous pressure on memory subsystems. Due to rapid growth in thread-level parallelism of GPU and slowly improved peak memory bandwidth, memory becomes a bottleneck of GPU’s performance and energy efficiency. In this article, we propose an integrated architectural scheme to optimize the memory accesses and therefore boost the performance and energy efficiency of GPU. First, we propose a thread batch enabled memory partitioning (TEMP) to improve GPU memory access parallelism. In particular, TEMP groups multiple thread blocks that share the same set of pages into a thread batch and applies a page coloring mechanism to bound each stream multiprocessor (SM) to the dedicated memory banks. After that, TEMP dispatches the thread batch to an SM to ensure high-parallel memory-access streaming from the different thread blocks. Second, a thread batch-aware scheduling (TBAS) scheme is introduced to improve the GPU memory access locality and to reduce the contention on memory controllers and interconnection networks. Experimental results show that the integration of TEMP and TBAS can achieve up to 10.3% performance improvement and 11.3% DRAM energy reduction across diverse GPU applications. We also evaluate the performance interference of the mixed CPU+GPU workloads when they are run on a heterogeneous system that employs our proposed schemes. Our results show that a simple solution can effectively ensure the efficient execution of both GPU and CPU applications.

Computer Science↗

OpenCSP v.1.0

SAND2024-08987O OpenCSP analyzes and improves the performance of optical mirrors that reflect sunlight and concentrate it onto a receiver. The algorithms in this library analyze the flow of light from an original source—such as the sun—reflecting off one or more mirrors, and onto a receiver, optical screen, or camera. OpenCSP also analyzes optical systems using other techniques, such as shape or slope comparison. The software calculates aggregate properties of the optical system, such as its efficiency, manufacturing error, pointing control error, expected performance, and other useful parameters. OpenCSP also includes high-level tools, such as Open SOFAST, a program that obtains high-resolution measurement of CSP mirrors, full heliostats, and other CSP collectors. OpenCSP supports producing meaningful output data to help CSP designers and field operators improve the performance of their systems. OpenCSP also includes classes and functions that support these calculations, including input utilities, analysis output libraries, geometric constraint analysis for drone flight planning, and more. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Brost, Randolph↗

Enhancement of Industry Legacy Probabilistic Risk Assessment Methods and Tools

Probabilistic risk assessments (PRAs) are integral to nuclear power plant (NPP) operations, having tremendously benefitted the safety of the U.S. reactor fleet for decades. Insights obtained from the models have provided perspectives on a variety of applications, both at the plant and for the regulator. While these models are very useful, they are now being asked to represent and analyze aspects of the plant that were never envisioned by the initial PRA practitioners. Furthermore, heightened demands on the PRA models have led to increased computing power requirements. Additionally, as the complexity of the PRA models increased, the difficulty experienced by non-PRA experts in trying to understand these models, grasp the insights they provide, and effectively use that information has become problematic. The need for research to address key issues regarding PRA tools and methods has never been greater. Although the nuclear power industry has largely been well-served by these tools and methods, the underlying science is dated, remaining mostly unchanged for over two decades. Three areas were identified as most beneficial to address to maintain and improve the usefulness of the current practice legacy PRA tools: improvement in quantification speed, increased ability to efficiently model multi-hazard models, and improvement in modeling human action dependency in PRA. This report provides the outcomes from the FY2021 research into these three areas, identifying potential technical gaps and solutions, and charting the next steps forward to address current PRA challenges.

42 ENGINEERING↗

Evolution_and_engineering_of_pathways_for_aromatic_O-demethylation_in_Pseudomonas_putida_KT2440

Biological conversion of lignin from biomass offers a promising strategy for sustainable production of fuels and chemicals. However,aromatic compoundsderived from lignin commonly contain methoxy groups, andO-demethylation of these substrates is often a rate-limiting reaction that influences catabolic efficiency. Severalenzymefamilies catalyze aromaticO-demethylation, but they are rarely comparedin vivoto determine an optimal biocatalytic strategy. Here, two pathways for aromaticO-demethylation were compared inPseudomonas putidaKT2440. The native Rieske non-heme ironmonooxygenase(VanAB) and, separately, a heterologous tetrahydrofolate-dependentdemethylase(LigM) were constitutively expressed inP. putida, and the strains were optimized via adaptive laboratory evolution (ALE) withvanillateas a model substrate. All evolved strains displayed improved growth phenotypes, with the evolved strains harboring the native VanAB pathway exhibiting growth rates ∼1.8x faster than those harboring the heterologous LigM pathway.Enzyme kineticsandtranscriptomicsstudies investigated the contribution of selected mutations toward enhanced utilization of vanillate. The VanAB-overexpressing strains contained the most impactful mutations, including those in VanB, thereductasefor vanillateO-demethylase, PP_3494, a global regulator of vanillate catabolism, andfghA, involved in formaldehydedetoxification. These three mutations were combined into a single strain, which exhibited approximately 5x faster vanillate consumption than the wild-type strain in the first 8 h of cultivation. Overall, this study illuminates the details of vanillate catabolism in the context of two distinct enzymatic mechanisms,yielding a platform strain for efficientO-demethylation of lignin-related aromatic compounds to value-added products. This DOI contains supplementary material associated with the published manuscript.

CBI↗