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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

QFw: A Quantum Framework for Large-scale HPC Ecosystems

This work extends Quantum Framework (QFw) by integrating it with Northwest Quantum Simulator (NWQ-Sim) and by introducing a lightweight python library that allows multiple frontends (e.g., Qiskit) to interact with QFw. This extension enables QFw to flexibly decouple frontends from backends (e.g., NWQ-Sim). We demonstrate this capability by executing a Greenberger-Horne-Zeilinger (GHZ) circuit using Qiskit and Pennylane with NWQ-Sim and Tensor-Network Quantum Virtual-Machine (TN-QVM). QFw enables easy scaling to multiple nodes. We showcase this with scaling tests using GHZ with up to 32 qubits for different number of nodes on the Frontier supercomputer. And, to demonstrate the use of QFw for real world problems, we solve a metamaterial optimization problem, using a Quantum Approximate Optimization Algorithm (QAOA). We observe that QFw over NWQ-Sim marginally improves Qiskit-aer’s accuracy in reaching the lowest energy state. These additions to QFw prepare it to run hybrid applications in a hybrid resource environment since it treats actual quantum hardware and simulators alike.

Chundury, Srikar↗
DOE OSTI2022

Photo- and Electrocouplings of Nucleon Resonances

Advances in the exploration of the spectrum and structure of the excited states of the nucleon from experiments with electromagnetic probes on proton targets are presented here. Impressive progress has been achieved in the studies of exclusive meson photoproduction in experiments with continuous electron beams and with detectors of almost 4π acceptance. The high-quality data, coupled with the advances in the amplitude analyses of exclusive photo- and hadroproduction data, allow for the observation of several long-awaited new baryon states known previously as the “missing” resonances. Studies of exclusive meson electroproduction in the resonance region with the CLAS detector at JLab have provided the dominant part of the available world information on exclusive meson electroproduction observables. These data offer unique information on the structure of most well-established excited nucleon states in the mass region up to 1.8 GeV in terms of the evolution of their electroexcitation amplitudes with momentum transfer of the virtual photon. We discuss the impact of these results on the insight into the strong interaction dynamics that underlie the generation of the full spectrum of nucleon resonances of distinctively different structure. These results shed light on the emergence of hadron mass, which is one of the most important and still open problems in the Standard Model. The extension of the nucleon resonance stud

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

A standard capsule design for structural material testing in the Advanced Test Reactor

Nuclear materials testing is commonly completed in various material test and research reactors throughout the world, including the Advanced Test Reactor (ATR), but the current capsule design, analysis, and fabrication process can take years to complete. To decrease the costs and time associated with materials testing, a standard capsule has been designed which houses various specimen geometries and allows irradiation in virtually any ATR test position. The standard capsule features locking end caps which connect and lock together to form the capsule stack, eliminating the need for a basket and maximizing the quantity of specimens which are contained within the capsule. A customizable internal gas gap provides thermal resistance between the specimens and reactor coolant, making specimen temperatures from approximately 370 to 1000 K achievable. The flexibility of the capsule design allows experimenters to choose irradiation positions based off desired neutron flux, with typical fluences per cycle ranging from 8.8x10 19 to 2.3x10 21 n/cm 2 , depending on experiment position. Here this paper presents and discusses the standard capsule design and analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2020

JPype

JPype is a Python module to provide full access to Java from within Python. It allows Python to make use of Java only libraries, exploring and visualization of Java structures, development and testing of Java libraries, scientific computing, and much more. By gaining the best of both worlds using Python for rapid prototyping and Java for strong typed production code, JPype provides a powerful environment for engineering and code development. This is achieved not through re-implementing Python, as Jython has done, but rather through interfacing at the native level in both virtual machines. This shared memory based approach achieves decent computing performance, while providing the access to the entirety of CPython and Java libraries.

Nelson, KarlE.↗
DOE OSTI2024

Cybersecurity Considerations for Emerging Energy Technologies

AI, cloud computing, post-quantum cryptography, zero-trust architectures, microgrids, and virtual power plants. What do these things have in common? They are all emerging technologies in the clean energy space that will be a critical part of grid modernization efforts. As we work towards clean energy and decarbonization targets, these technologies, developed to solve real-world problems, will help us reach goals and achieve new efficiencies as the paradigm of grid operation shifts. However, there are growing concerns about the cybersecurity risks associated with these trending topics as they are used in critical infrastructure applications. This talk will cover gaps, challenges, and opportunities for the secure implementation of grid modernization solutions and novel energy applications of state-of-the-art networking and communications. Proactive risk mitigation strategies, including the application of cyber-informed engineering, will be discussed. Practical applications of these techniques will help provide countermeasures to the impact of cyberattacks on critical infrastructure technologies in a new, digitized grid landscape.

14 SOLAR ENERGY↗
DOE OSTI2021

2021 Thermal Energy Storage Systems for Buildings Workshop: Priorities and Pathways to Widespread Deployment of Thermal Energy Storage in Buildings

The 2021 U.S. Department of Energy's (DOE) "Thermal Energy Storage Systems for Buildings Workshop: Priorities and Pathways to Widespread Deployment of Thermal Energy Storage in Buildings" was hosted virtually on May 11 and 12, 2021. This report provides an overview of the workshop proceedings. Organized by DOE's Building Technologies Office (BTO), the National Renewable Energy Laboratory, Lawrence Berkeley National Laboratory, and Oak Ridge National Laboratory, the workshop convened more than 600 stakeholders from around the world to discuss the need for advancing the deployment of thermal energy storage (TES) in buildings. This workshop was designed to build on BTO's webinar series and 2019 workshop. The goals of this workshop were to promote discussion on TES related to: 1. Market adoption and deployment barriers, 2. Key applications and value drivers, 3. System cost, performance, and market requirements, and 4. End-use specific needs. The workshop took place over two days and consisted of keynote presentations, moderated panels, breakout sessions, and open discussion forums. The keynote presentations introduced opportunities for building TES, barriers to widespread deployment, and future visions. Moderated panel discussions presented diverse perspectives, breakout sessions provided opportunities for more intimate conversations, and open discussions captured feedback from the entire workshop group. Over the course of the two days, attendees exchanged experiences and ideas surrounding multiple aspects of TES in buildings. The first section of this report provides background on the motivations behind advancing TES for residential and commercial buildings and elaborates on the workshop objectives. The second section details the workshop structure and participant demographics. The third section provides key findings of the discussions that took place during the breakout sessions. Finally, this report details recommendations and actions to increase the TES deployment. Several recommendations from workshop attendees are presented in Table ES-1. TES holds significant potential to help increase building efficiency, grid-interactivity, and energy resilience, as well as reduce associated carbon emissions. The outputs generated from this workshop will aid stakeholders in advancing TES in buildings through a deeper understanding of the opportunities and barriers surrounding widespread deployment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

The need to operationalize climate modelling

We report climate models have changed the world. Starting out as simple globally averaged representations of vertical energy exchanges in the atmosphere in the 1950s, today’s climate models are highly complex numerical representations of the Earth system based on the fundamental laws of physics. Their development has largely been driven by scientific curiosity, with the many approximate virtual representations of Earth available today enabling the interrogation of the past and present climate system and the development of an understanding of the influence of human activity on its future. It is this understanding that underpins the climate mitigation targets enshrined in the Paris Agreement to limit global mean temperature increases.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Pxl

The code consists of several scripts. The image is fetched from a predefined URL, downloaded, and is displayed in the virtual environment at a predefined location. The image is also dynamically scaled to fit in the virtual environment depending on its size. The image is sent to have each pixel's value written to a CSV file. While the CSV is being written, a dictionary is populated with values that map each pixel to a temperature reading. The image's height, width, position and references to its corners are sent to make a button that is the same size as the image and placed right behind the image in the virtual scene. The button defines behavior that should be triggered when the user pushes the image. Unity provides visual cues that alert the user when they are about to touch something in the virtual environment. The code holds references to the cues for the left and right hands. The button queries the cue tracker and receives the position of the active cue in the form of a 3D vector. The 3D vector is compared to the bottom left corner of the image to transform the world space coordinates of the cue to the pixel space of the image. The specific pixel is approximated relative to how far left and up the user touched from the bottom left corner of the image. The approximated pixel value, which is represented as a coordinate in 2D space, is used to retrieve the temperature value associated with the approximated pixel. A window of text is then updated to display the temperature reading.

. Otis, KrystianeS [Idaho National Laboratory (INL↗
DOE OSTI2022

The Future Circular Collider: a Summary for the US 2021 Snowmass Process

In this white paper for the 2021 Snowmass process, we give a description of the proposed Future Circular Collider (FCC) project and its physics program. The paper summarizes and updates the discussion submitted to the European Strategy on Particle Physics. After construction of an approximately 90 km tunnel, an electron-positron collider based on established technologies allows world-record instantaneous luminosities at center-of-mass energies from the Z resonance up to tt thresholds, enabling a rich set of fundamental measurements including Higgs couplings determinations at the sub percent level, precision tests of the weak and strong forces, and searches for new particles, including dark matter, both directly and via virtual corrections or mixing. Among other possibilities, the FCC-ee will be able to (i) indirectly discover new particles coupling to the Higgs and/or electroweak bosons up to scales around 7 and 50 TeV, respectively; (ii) perform competitive SUSY tests at the loop level in regions not accessible at the LHC; (iii) study heavy-flavor and tau physics in ultra-rare decays beyond the LHC reach, and (iv) achieve the best potential in direct collider searches for dark matter, sterile neutrinos, and axion-like particles with masses up to around 90 GeV. The tunnel can then be reused for a proton-proton collider, establishing record center-of-mass collision energy, allowing unprecedented reach for direct searches for new particles up to the around 50 TeV scale, and a diverse program of measurements of the Standard Model and Higgs boson, including a precision measurement of the Higgs self-coupling, and conclusively testing weakly-interacting massive particle scenarios of thermal relic dark matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Optimizing on-ramp merging for connected and automated vehicles: A hierarchical approach using deep reinforcement learning and optimal control

On-ramp merging for Connected and Automated Vehicles (CAVs) presents significant challenges in dynamic traffic environments. Traditional methods and recent learning-based approaches often fail to simultaneously address decision-making complexity and execution precision under fluctuating conditions. This study introduces a novel hierarchical framework that combines: (1) a high-level Deep Reinforcement Learning (DRL) module that coordinates merging sequences through Virtual Traffic Signals (VTS) with Yield/Green phases and (2) a low-level optimal controller generating collision-free speed trajectories via pseudospectral convex optimization. A convolutional autoencoder compresses high-dimensional traffic states to enhance responsiveness. Extensive simulations demonstrate a 12.5% improvement in mainline throughput a 28% reduction in emergency braking events, and 31.66% lower fuel consumption compared to baseline methods. Furthermore, the framework’s effectiveness in coordinating CAV merges highlights its potential for real-world deployment. Future work will extend validation to multi-lane scenarios with mixed traffic and large-scale multiple merging points.

Connected and automated vehicles↗
DOE OSTI2022

Real-Sim Interface: Enabling Multi-resolution Simulation and X-in-the-Loop Development for Connected and Automated Vehicles

We report connected and automated vehicles (CAVs) can bring safety, mobility, and energy benefits to transportation systems. Ideally, CAV applications would be fully evaluated and validated prior to real-world implementation. However, many technical challenges in both software and hardware hinder the process. To comprehensively evaluate all aspects of CAV applications, an integrated evaluation environment is needed with various simulation tools from different domains. In the current literature, there lacks a well-developed interface to enable multi-resolution simulation of vehicle, traffic, virtual environment, and hardware-in-the-loop (HIL) simulation. In this work, a modular and flexible interface is developed to enable multi-resolution vehicle and traffic co-simulation for CAV applications. This interface is built upon Oak Ridge National Laboratory’s (ORNL’s) Real-Sim approach, can support various simulation tools and real-time X-in-the-loop (XIL) simulations, and is based on network communication protocols. The network communication delays are analyzed for simultaneous connection of up to 20 simulators. Then, two example applications are studied to demonstrate the potential usage of the Real-Sim interface: (1) a centralized merging scenario where the dynamics of two ego vehicles are emulated with detailed vehicle and powertrain dynamics models and (2) a signal-controller-in-the-loop (SCIL) evaluation where one intersection of the simulated traffic scenario is controlled by a physical signal controller. This Real-Sim interface is a tool that allows researchers to bring real, tangible hardware and software into simulated environments to comprehensively evaluate and support a wide variety of CAV applications.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Adaptive primal–dual control for distributed energy resource management

With the increased adoption of distributed energy resources (DERs) in distribution networks, their coordinated control with a DER management system (DERMS) that provides grid services (e.g., voltage regulation, virtual power plant) is becoming more necessary. One particular type of DERMS using primal–dual control has recently been found to be very effective at providing multiple grid services among an aggregation of DERs; however, the main parameter, the primal–dual step size, must be manually tuned for the DERMS to be effective, which can take a considerable amount of engineering time and labor. To this end, we design a simple method that self-tunes the step size(s) and adapts it to changing system conditions. Additionally, it gives the DER management operator the ability to prioritize among possibly competing grid services. Here we evaluate the automatic tuning method on a simulation model of a real-world feeder in Colorado with data obtained from an electric utility. Through a variety of scenarios, we demonstrate that the DERMS with automatically and adaptively tuned step sizes provides higher-quality grid services than a DERMS with a manually tuned step size.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Biological Carbon Sequestration for Climate and Soil Health

The United States recently launched the Net Zero World Initiative on decarbonization. As temperatures and sea levels rise, strong action is needed to mitigate high atmospheric CO 2 levels. In response to this need, a joint workshop between the US Department of Energy’s Oak Ridge National Laboratory (ORNL) and Lawrence Berkeley National Laboratory (LBNL) was convened to assess the challenges and opportunities within biological carbon (C) capture. The virtual workshop on Biological Carbon Sequestration for Climate and Soil Health focused on three aspects of biological C capture research: natural systems, engineered systems, and modeling. For this workshop, the scope of natural systems included unmanaged (e.g., grasslands, wetlands, natural forests) and managed (e.g., agricultural lands, commercial forests, forest biofuels) ecosystems. The engineered systems group covered topics in genetically modified plants and microbes, synthetic microbiomes, and altered plant–microbe interactions for enhancing C capture, storage, and utilization. The modeling group focused on computational tools and data collection to predict and assess the effectiveness of new biocarbon sequestration advances. Participant expertise included plant and microbial systems biology, synthetic biology, soil biogeochemistry, and techno-economic analysis. Together, participants outlined key scientific advances in support of biological C capture and storage. Among the major findings of the meeting were the need to better measure C flux within natural, agricultural, and fabricated ecosystems for experimentation; better understand the role of soil composition, plant roots, and the rhizosphere (i.e., the soil surrounding the plant root) in the underground storage of organic C; and design plant–microbe systems for maximal C storage.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

A Flexible Forwarding Scheme to Improve Latency-Bound Irregular P2P Communication in MPI

We propose an algorithm to efficiently perform latency-bound communication scenarios that consist of many small messages. In these parallel scenarios, processes typically pass around a lot of small-sized messages of a few KBs of size. Performing communication operations with P2P MPI routines or collective MPI routines (including neighborhood collectives) in such scenarios may not always yield the optimal results and may not resolve the latency bottleneck. To this end, we develop a regular structure called virtual process topology (VPT) on which the messages can be communicated in a structured and controlled manner. Using parameters of this topology, one can tune the rate of aggression in tackling the latency costs. We demonstrate that our communication algorithm is preferable to MPI P2P and collective routines for latency-bound communication and it can easily be adapted only by replacing calls to MPI routines in a parallel application. We show how to adapt existing topology-aware mapping heuristics to address the volume overhead due to communicating messages on the VPT. Moreover, we propose a novel swap-based mapping heuristic to address this overhead by optimizing the maximum volume handled by a process. Experiments on synthetic communication graphs as well as real-world applications such as parallel Canonical Polyadic sparse tensor decomposition and parallel sparse matrix-dense matrix multiplication show that our approach is a powerful way of overcoming the bottlenecks posed by sparse and latency-bound irregular communication.

communication algorithm↗
DOE OSTI2020

Harnessing the power of ab initio calculations, distributed computing and machine learning to efficiently locate extreme molecules for use in carbon-based solar cells (Final Technical Report)

The use of high-throughput virtual screening (HTVS) tools is a powerful tool to expedite the materials discovery of commercially relevant materials. In previous years, our group has developed a molecular discovery platform to generate libraries in order to obtain suitable candidates for different applications, starting from the Harvard Clean Energy Project. This platform is suitable to test in-silico on traditional supercomputing clusters and shared resources, for example, in the IBM World Community Grid. In this project, we used the molecular discovery platform to create and screen a library of candidates of organic photovoltaic (OPVs) molecules. Based on a set of candidates created with combinations of molecular moieties, we were able to filter, by conformation stability, the energy of electronic orbitals and approximated power conversion efficiencies (PCE). To improve the predictions of orbital energies calculated and the PCEs, we used Gaussian Process regression and two sets of molecules. These sets correspond to electronic structure calculations of a higher level of theory and experimental PCE values, respectively. Finally, we selected a subset of the best candidates (molecules with a PCE higher than 10%) to understand its absorbance properties with TD-DFT. This project has demonstrated the capabilities of our molecular discovery platform for HTVS. Finally, machine learning can help us to introduce more complex effects included in bulk conditions and computational intensive calculations on models.

14 SOLAR ENERGY↗
DOE OSTI2022

Integrated Urban Services: Regional Launch Event, 10-11 and 12-13 August 2021 [Slides]

The Integrated Urban Services (IUS) Program virtual launch event was conducted on August 10th and 12th, 2021 and provided education to the 26 cities in the ASEAN Smart Cities Network focused on integrated urban planning and the energy-food-water nexus. Experts representing academia, government, NGOs, and the private sector were invited to share knowledge and key lessons from their experience working on urban development projects in the ASEAN region and around the world. The IUS program, which is funded by the U.S. State Department and implemented by the National Renewable Energy Laboratory, aims to promote systems integration and circular economy principles for resource recovery and reuse at the city scale. This new initiative will help ASEAN cities build resilience in their energy, water, and food provision systems. The objectives of this three-year project are to: Educate stakeholders on the benefits of circular economy approaches such as resource recovery and reuse, and on opportunities to build cost-efficient and resilient models of basic urban service and food provision; Provide technical assistance to two select cities within ASEAN to aid them in implementing regenerative EWF system pilot projects; and Engage the private sector to promote market-based planning and investment to support pilot project implementation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Virtual Cable Impedance based Load Sharing in a Microgrid for Parallel Connected Grid Forming Converters

This paper presents a novel approach to power sharing between direct connected grid-forming converters, utilizing virtual cable impedance and droop-based outer loop control. To enhance stability, resistive droop is implemented, while virtual cable impedance with non-zero resistive and inductive components ensures improved power sharing. The inner loop controller employs a Lyapunov energy function to achieve superior dynamic performance. The proposed control architecture is validated through comprehensive modeling and real-time processor-in-the-loop simulations, demonstrating its robustness and efficiency under various operating conditions. The results highlight the potential of this control strategy to improve the reliability and efficiency of renewable energy systems. Additionally, a comparative analysis with traditional methods underscores the advantages of the proposed approach in terms of stability and performance. The proposed control architecture offers a scalable and flexible solution for grid-forming converters, enabling seamless integration of renewable energy sources. Its robustness and adaptability make it an attractive solution for real-world applications. Furthermore, the approach can be extended to other power electronic systems, enhancing overall system performance and efficiency. By providing a reliable and efficient control strategy, this paper contributes to the advancement of renewable energy systems and their adoption in the energy sector. The proposed control strategy has far-reaching implications for the widespread adoption of renewable energy sources, enabling a more sustainable and efficient energy future. The overall system is modeled in MATLAB/Simulink and PLECS software domain.

grid forming converters (GFM)↗
DOE OSTI2020

Harvesting the low-hanging fruit of high energy savings -- Virtual Occupancy using Wi-Fi Data

Approximately 20% of primary energy consumed in the U.S. is attributed to HVAC use. Ideally, HVAC operation would be driven by actual building occupancy, but lack of reliable occupancy information often results in the use of conservative static schedules. This disparity is even more pronounced in a college campus, where the function of each space differs by building (classrooms, offices, libraries) and the class schedules change frequently -- every semester, day of week, and hour. While several research papers propose the use of counts of the Wi-Fi connections (e.g., phones, computers) as a proxy for occupancy, few real-world implementations exist. This paper describes the development and deployment of an open-source Wi-Fi-to-Occupancy software library in 65 buildings of a college campus, and the planned integration with the building energy management and control system at the building scale. Over a year of Wi-Fi data was gathered into distinct academic periods, including fall and spring semester, academic breaks, and summer sessions. Patterns such as students moving between classrooms, closing laptops before exams, etc., can be visualized from the data. Approximating occupancy from Wi-Fi data presents challenges which we address in this project -- for example, identifying static devices, or estimating the ratio of devices per person. Utilizing real-time occupancy data to inform optimal HVAC schedules and ventilation rates creates the potential to identify and reduce energy waste. Other potential applications include forecasting occupancy, and using Wi-Fi data to predict peak demands. Finally, the paper discusses how to easily scale these tools to other buildings.

Pritoni, Marco↗