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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 451 records · Page 25

Resilient Cyber Infrastructure for the Minimum Wind Curtailment Remedial Control Scheme

Integration of Distributed Energy Resources (DER) has been significantly increasing in the electric power grid. One of the predominant renewable energy sources, wind energy, possess a significant challenge for grid operations, due to its intermittency, uncertainty and variability. In changing operating conditions with wind uncertainty, part of wind may need to be curtailed for the safe utilization of the transmission system. In order to minimize the wind power curtailment and to keep the power flow on a transmission line under limits, a cyber resilient Distributed Remedial Action Scheme (DRAS) is developed in this paper. The RAS is formulated as an optimization problem, considering the real power flow constraints of the transmission lines and given wind variability. In this paper, DRAS is developed to operate even with failures in the computing nodes to make it cyber-resilient. Distributed simplex algorithm is used for optimization in the distributed RAS. The DRAS is implemented in a decentralized platform called Resilient Information Architecture Platform for Smart Grid (RIAPS) to enable cyber resiliency of DRAS. The effectiveness of the proposed approach is validated through offline simulations of the New England 39 bus system and online simulations of IEEE 14 bus test system. In conclusion, a cyber physical test bed utilizing Real Time Digital Simulator (RTDS), Phasor Measurement Units (PMUs), and BeagleBones has been used for the online simulation and validation of the developed cyber-resilient RAS.

17 WIND ENERGY↗

QASMBench: A Low-Level Quantum Benchmark Suite for NISQ Evaluation and Simulation

The rapid development of quantum computing (QC) in the NISQ era urgently demands a low-level benchmark suite and insightful evaluation metrics for characterizing the properties of prototype NISQ devices, the efficiency of QC programming compilers, schedulers and assemblers, and the capability of quantum system simulators in a classical computer. In this work, we fill this gap by proposing a low-level, easy-to-use benchmark suite called QASMBench based on the OpenQASM assembly representation. It consolidates commonly used quantum routines and kernels from a variety of domains including chemistry, simulation, linear algebra, searching, optimization, arithmetic, machine learning, fault tolerance, cryptography, and so on, trading-off between generality and usability. To analyze these kernels in terms of NISQ device execution, in addition to circuit width and depth, we propose four circuit metrics including gate density, retention lifespan, measurement density, and entanglement variance, to extract more insights about the execution efficiency, the susceptibility to NISQ error, and the potential gain from machine-specific optimizations. Applications in QASMBench can be launched and verified on several NISQ platforms, including IBM-Q, Rigetti, IonQ and Quantinuum. For evaluation, we measure the execution fidelity of a subset of QASMBench applications on 12 IBM-Q machines through density matrix state tomography, comprising 25K circuit evaluations. In addition we also compare the fidelity of executions among the IBM-Q machines, the IonQ QPU and the Rigetti Aspen M-1 system.

97 MATHEMATICS AND COMPUTING↗

Exploring Benchmarks for Self-Driving Labs using Color Matching

Self Driving Labs (SDLs) that combine automation of experimental procedures with autonomous decision making are gaining popularity as a means of increasing the throughput of scientific workflows. The task of identifying quantities of supplied colored pigments that match a target color, the color matching problem, provides a simple and flexible SDL test case, as it requires experiment proposal, sample creation, and sample analysis, three common components in autonomous discovery applications. We present a robotic solution to the color matching problem that allows for fully autonomous execution of a color matching protocol. Our solution leverages the WEI science factory platform to enable portability across different robotic hardware, the use of alternative optimization methods for continuous refinement, and automated publication of results for experiment tracking and post-hoc analysis.

Artificial intelligence↗

Performance Portability of HPC Discovery Science Software: Fusion Energy Turbulence Simulations at Extreme Scale

As HPC R&D moves forward on a variety of “path to exascale” architectures today, an associated objective is to demonstrate performance portability of discovery-science-capable software. Important application domains, such as Magnetic Fusion Energy (MFE), have improved modelling of increasingly complex physical systems -- especially with respect to reducing “time-to-solution” as well as “energy to solution.” The emergence of new insights on confinement scaling in MFE systems has been aided significantly by efficient software capable of harnessing powerful supercomputers to carry out simulations with unprecedented resolution and temporal duration to address increasing problem sizes. Specifically, highly scalable particle-in-cell (PIC) programing methodology is used in this paper to demonstrate how modern scientific applications can achieve efficient architecture-dependent optimizations of performance scaling and code portability for path-to-exascale platforms.

97 MATHEMATICS AND COMPUTING↗

Heila Microgrid Controller Validation Using CUBE: Cooperative Research and Development Final Report, CRADA Number CRD-17-663

This CRADA facilitates validation of the Heila IQ controller (microgrid controller) using NREL's Consolidated Utility Base Energy (CUBE) hardware platform. The CUBE microgrid platform includes power electronics and controls to integrate PV, battery, and diesel generator assets to serve a common load. The Heila IQ controller includes algorithms to manage and optimize these assets and will be used as the dispatch-level controller for the CUBE. Heila will use the CUBE platform in a number of use cases that will benefit commercialization of the Heila IQ controller.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Fast and High-Fidelity SNAP Gate Enabled by Optimal Control on Floquet-Engineered Systems

Superconducting cavities with high quality factors, coupled to nonlinear ancilla, provide a promising platform for quantum information storage and manipulation. However, the commonly used selective number-dependent arbitrary phase (SNAP) gate faces significant challenges in ultra-high-coherence cavities, where weak dispersive shifts result in prolonged gate times. Here, we propose a protocol to achieve high-fidelity SNAP gates that are orders of magnitude faster than the standard implementation, breaking the speed limit set by the bare dispersive shift. This enhancement is achieved by dynamically amplifying dispersive coupling via sideband interactions, followed by quantum optimal control on Floquet-engineered systems. Additionally, we present a unified perturbation theory that explains both the gate acceleration and associated benign drive-induced decoherence, corroborated by Floquet\textendash Markov simulations. These results pave the way for the experimental realization of high-fidelity control of weakly coupled, high-coherence cavities, and expanding the scope of optimal control techniques in Floquet quantum systems.

You, Xinyuan [Fermilab]↗

A Data Science and Machine Learning Platform Supporting Large Particle Accelerator Control and Diagnostics Applications Final Report: SBIR Initial Phase II DE-SC0022583

The Machine Learning Data Platform (MLDP) is a product providing full-stack support for data science, Machine Learning, and Artificial Intelligence (ML/AI) applications at particle accelerator and large experimental physics facilities. It supports ML/AI applications from front-end, high-speed acquisition of heterogeneous, time-series data, through data archiving and management, to back-end analysis. The MLDP embodies a “data-science ready” platform for data analysis and ML/AI applications in diagnosis, modelling, control, and optimization of these facilities. It provides data scientists and applications a consistent, datacentric interface to archive data standardizing implementation and deployment of ML/AI algorithms to different operations configurations within the same facility, or between facilities. Being an open-source, public-domain project, the MLDP is intended for broadest possible impact by increasing accessibility and minimizing the required expertise for installation and operation. The MLDP can also be deployed at user facilities for experimental data collection, archiving, and analysis. It is capable of acquisition and archiving of heterogeneous data from experimental equipment (e.g., images, arrays, structures, etc.) along with system hardware configurations (e.g., scalars, tables), control system process variables, and any metadata required for provenance. Thus, the MLDP can manage experimental data through its entire lifecycle, from acquisition and archiving, through analysis and investigation, to release and final publication.

43 PARTICLE ACCELERATORS↗

An Intermediate-Scale Version of the Volturnus + Floating Offshore Wind Turbine Platform Concept in a Real Ocean Environment with an Operating Turbine off the Coast of Maine (Final Scientific/Technical Report)

This project was undertaken to advance the technical readiness and commercial viability of a next-generation, industrialized concrete floating foundation for offshore wind turbines called VolturnUS +. The design objective is to deliver a platform that is lower cost, faster to manufacture, simpler to deploy, and optimized for domestic supply chains and local workforce participation. To enable project financing and commercial adoption, an at-sea demonstration under representative operating conditions was required and therefore this project aimed to deploy a ¼-scale VolturnUS+ prototype offshore the Coast of Maine.

17 WIND ENERGY↗

Optimal Design Approaches for Cost-Effective Manufacturing and Deployment of Chemical Process Families with Economies of Numbers

Developing methods for rapid, large-scale deployment of carbon capture systems is critical for meeting climate change goals. Optimization-based decisions can be employed at the design and manufacturing phases to minimize costs of deployment and operation. Manufacturing standardization results in significant cost savings due to economies of numbers. Building off previous work, we present a process family design approach to design a set of carbon capture systems while explicitly including economies of numbers savings within the formulation. Our formulation optimizes both the number and characteristics of the common components in the platform and simultaneously designs the resulting set of carbon capture systems. Savings from economies of numbers are explicitly included in the formulation to determine the number of components in the platform. We show and discuss the savings we gain from economies of numbers.

Stinchfield, Georgia↗

Economies of Numbers Formulations for Optimal Process Family Design of Carbon Capture Systems

Enabling rapid, widespread deployment of many process variants across a range of design requirements is key to ensuring the widespread availability of critical decentralized technologies such as carbon capture systems. Unfortunately, traditional process design methods are not efficient for designing many similar variations of a process rapidly across a wide range of system requirements. Rather than considering each process variant as a separate design task, we have proposed viewing the entire set of variants as a “family.” In our work, we present rigorous optimization formulations that simultaneously design each variant within the family from a platform of available unit modules, largely inspired by product family and platform design.

Stinchfield, Georgia↗

Building Energy Modeling Enhancements to Identify Least-Cost Pathways to Net-Zero Carbon Homes: Preprint

Residential grid-interactive efficient buildings (GEBs) can utilize high levels of energy efficiency and demand flexibility to deliver value to occupants, the grid, and society. However, without the ability to analyze, design, and optimize residential GEBs there is a risk that homes will not realize their full potential value as efficient and dynamic resources, which could ultimately lead to higher than necessary energy costs for U.S. households and lower realization of potential energy efficiency and demand flexibility benefits such as increased convenience/automation, thermal comfort, durability, indoor air quality, and resilience. In 2018, the National Renewable Energy Laboratory (NREL) Residential Modeling Team developed a vision for an open source Residential GEB Analytics Platform built within DOE's EnergyPlus and OpenStudio modeling environment that would enable the design and optimization of residential GEBs, including the identification of least-cost pathways to highly energy-efficient and energy-flexible homes (e.g., net zero carbon homes). We created a detailed workplan for the development of new and enhanced residential GEB component-level models for EnergyPlus and OpenStudio needed to progress toward the vision for the analytics platform while delivering near-term benefits to industry. This paper 1) presents the vision for the platform, summarizing the workplan for residential GEB modeling enhancements; 2) highlights significant advancements that have been achieved between 2018 and 2022, including stochastic residential occupancy modeling, flexible water heater modeling, detailed lithium-ion stationary battery modeling, and realistic residential HVAC modeling; and 3) outlines ongoing efforts and next steps toward the full vision for the platform.

building energy modeling↗

From Obsolete to Optimal (ATR Demineralized Water System)

My project was migrating a Human-Machine Interface (HMI) and Programmable Logic Controller (PLC) program from legacy software to a modern platform, enhancing operational efficiency and eliminating unsupported, obsolete equipment. Initially, I used a migration tool to transfer the programs to the new software, then manually updated variables to align with the new PLC. I optimized the PLC code by leveraging new scaling features in the I/O cards, removing over 45 obsolete rungs, and enhancing clarity with functional tag aliases. Next, I modernized the HMI's visuals with an updated color scheme and 3D buttons. I developed multiple interface versions iteratively refining them based on operator feedback. I also designed and created a dedicated "Rounds" screen incorporating insights from a previous intern’s project to streamline daily rounds. To improve clarity, consistency, and efficiency I redesigned the entire interface. Adding visual indicators to enhance operational awareness: red is used for values outside normal specifications, green for normal operating modes, yellow for manual mode, and grey for offline units. Additionally, I added a dynamic visual representation of tank levels, creating PLC logic to show the level in inches as well as inches and feet. I then incorporated a navigation sidebar to facilitate efficient screen transitions. Risk of human error was mitigated by defining narrow input ranges for tank level shutoff and password protecting setpoint changes. I also fixed issues with datatypes that caused inaccuracies in the original code. Overall, this comprehensive upgrade significantly enhanced the HMI's functionality, user experience, and operational reliability.

47 - OTHER INSTRUMENTATION↗

A multiomics mass spectrometry workflow for fast and comprehensive strain optimization (Abstract CRADA 726 )

The Agile Biofoundry (ABF) is a multi-national lab consortium funded by the DOE Bioenergy Technologies Office that has developed a biofoundry that enables the rapid deployment of bioproducts into the market. The ABF is a flexible platform that can adjust to the needs of numerous government, academic and industrial partners, thus enabling them to rapidly develop and optimize the production of a wide range of bioproducts. To enhance this capability, PNNL and Agilent Technologies are collaborating to expand and demonstrate a prototype system that processes hundreds of samples per day by liquid chromatography-mass spectrometry-based untargeted and targeted methods, and artificial intelligence software for multiomics applications, including metabolomics, lipidomics and proteomics.

Bilbao, Aivett (ORCID:0000000329858249)↗

Extreme Scale Plasma Turbulence Simulations on Top Supercomputers Worldwide

The goal of the extreme scale plasma turbulence studies described in this paper is to expedite the delivery of reliable predictions on confinement physics in large magnetic fusion systems by using world-class supercomputers to carry out simulations with unprecedented resolution and temporal duration. This has involved architecture-dependent optimizations of performance scaling and addressing code portability and energy issues, with the metrics for multi-platform comparisons being 'time-to-solution' and 'energy-to-solution'. Realistic results addressing how confinement losses caused by plasma turbulence scale from present-day devices to the much larger $25 billion international ITER fusion facility have been enabled by innovative advances in the GTC-P code including (i) implementation of one-sided communication from MPI 3.0 standard; (ii) creative optimization techniques on Xeon Phi processors; and (iii) development of a novel performance model for the key kernels of the PIC code. Our results show that modeling data movement is sufficient to predict performance on modern supercomputer platforms.

97 MATHEMATICS AND COMPUTING↗

Adaptive Circuit Learning for Quantum Metrology

Quantum sensing is an important application of emerging quantum technologies. We explore whether a hybrid system of quantum sensors and quantum circuits can surpass the classical limit of sensing. In particular, we use optimization techniques to search for encoder and decoder circuits that scalably improve sensitivity under given application and noise characteristics. Furthermore, our approach uses a variational algorithm that can learn a quantum sensing circuit based on platform-specific control capacity, noise, and signal distribution. The quantum circuit is composed of an encoder which prepares the optimal sensing state and a decoder which gives an output distribution containing information of the signal. We optimize the full circuit to maximize the Signal-to-Noise Ratio (SNR). Furthermore, this learning algorithm can be run on real hardware scalably by using the "parameter-shift" rule which enables gradient evaluation on noisy quantum circuits, avoiding the exponential cost of quantum system simulation. We demonstrate up to 13.12x SNR improvement over existing fixed protocol (GHZ), and 3.19x Classical Fisher Information (CFI) improvement over the classical limit on 15 qubits using IBM quantum computer. More notably, our algorithm overcomes the decreasing performance of existing entanglement-based protocols with increased system sizes.

42 ENGINEERING↗

Reinforcement Learning Control for Buildings Co-Optimizing Energy, Comfort, and Indoor Air Quality: An Annual Assessment

Efficient control of Heating, Ventilation, and Air Conditioning (HVAC) systems is crucial for optimizing energy use and maintaining indoor comfort in buildings. Traditional control methods, such as PID control, cannot handle energy use trade-offs among multiple components in the building energy system at a supervisory level. Reinforcement learning (RL) presents a promising solution, offering adaptive and data-driven control strategies that optimize performance over time. However, RL also faces several challenges, including the conflicts encountered in co-optimizing energy savings, occupant comfort, and indoor air quality, and the requirement for extensive interactions with the environment in training. We proposed a flexible simulation platform that integrates a hybrid model for RL training and designed an RL agent to control the entire central HVAC system, focusing on co-optimizing energy consumption, thermal comfort, and indoor air quality ($\text{CO}_{2}$ and PM2.5 concentrations). Finally, we evaluated the RL agent's performance over an annual cycle. Our findings indicate that the RL agent can effectively manage the HVAC system with 14.7 % energy savings annually and balance multiple objectives, which demonstrates significant potential for improving HVAC system control and sustainability in buildings.

Guo, Fangzhou↗

OPER: Optimality-Guided Embedding Table Parallelization for Large-scale Recommendation Model

With the sharp increasing volume of user data, Deep Learning Recommendation Model (DLRM) becomes an indispensable infrastructure in large technology companies. However, large-scale DLRM on the multi-GPU platform is still inefficient due to unbalanced workload partitioning and intensive inter-GPU communication. To this end, we propose OPER, an OPtimality guided Embedding table placement for large-scale Recommendation model training and inference. OPER explores the potential of mitigating remote memory access latency in DLRM through fine-grained embedding table placement. Specifically, OPER proposes a theoretical modeling that builds up the relationship between EMT placement and the embedding communication latency in both training and inference. OPER proves the NP hardness of finding the optimal embedding table placement and proposes a heuristic algorithm that yields near optimal placement. OPER implements a SHMEM-based embedding table training system and a unified embedding index mapping to support fine-grained embedding table sharding and placement. Comprehensive experiments reveal that OPER achieves on average 3.4× and 5.1× speedup on training and inference respectively over state-of-the-art DLRM frameworks.

Wang, Zheng↗

Adorym: a multi-platform generic X-ray image reconstruction framework based on automatic differentiation

We describe and demonstrate an optimization-based X-ray image reconstruction framework called Adorym. Our framework provides a generic forward model, allowing one code framework to be used for a wide range of imaging methods ranging from near-field holography to fly-scan ptychographic tomography. By using automatic differentiation for optimization, Adorym has the flexibility to refine experimental parameters including probe positions, multiple hologram alignment, and object tilts. It is written with strong support for parallel processing, allowing large datasets to be processed on high-performance computing systems. We demonstrate its use on several experimental datasets to show improved image quality through parameter refinement.

36 MATERIALS SCIENCE↗