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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Surrogate Constructed Scalable Circuits ADAPT-VQE in the Schwinger model

Inspired by recent advancements of simulating periodic systems on quantum computers, we develop a new approach, (SC)$^2$-ADAPT-VQE, to further advance the simulation of these systems. Our approach extends the scalable circuits ADAPT-VQE framework, which builds an ansatz from a pool of coordinate-invariant operators defined for arbitrarily large, though not arbitrarily small, volumes. Our method uses a classically tractable ``Surrogate Constructed'' method to remove irrelevant operators from the pool, reducing the minimum size for which the scalable circuits are defined. Bringing together the scalable circuits and the surrogate constructed approaches forms the core of the (SC)$^2$ methodology. Our approach allows for a wider set of classical computations, on small volumes, which can be used for a more robust extrapolation protocol. While developed in the context of lattice models, the surrogate construction portion is applicable to a wide variety of problems where information about the relative importance of operators in the pool is available. As an example, we use it to compute properties of the Schwinger model - quantum electrodynamics for a single, massive fermion in $1+1$ dimensions - and show that our method can be used to accurately extrapolate to the continuum limit.

Gustafson, Erik [RIACS, Mtn. View] (ORCID:00000001↗
DOE OSTI2020

Urban Traveler - Changes and Impacts: Mobility Energy Productivity (MEP) Metric

For nearly a century, the automobile has been the primary mode of personal transportation in American life. This remains true today as millions of people rely heavily on cars to connect suburbs with cities or to travel long distances—often out of routine or convenience. However, advances in technology are fueling an era of transportation transformation, with the potential to transform a system that has remained virtually unchanged for decades. Aspiring smart cities are wrestling with questions such as: How does mobility impact a person’s quality of life? Would people make different travel choices if they were presented with better information about their mobility options? The ability to quantify the mobility potential of a given location is the first step toward answering these questions. In response, an interdisciplinary team at the National Renewable Energy Laboratory (NREL) has developed the Mobility-Energy Productivity (MEP) metric. The MEP metric provides an avenue to not only measure the mobility potential at a specific location in its current configuration, but also to test how various technological advances (e.g., connected and automated vehicles, plug-in electric vehicles, shared mobility) and infrastructure investments (e.g., building an additional highway lane, constructing a new shopping mall, implementing a transit-oriented development) impact the mobility of that location over time. This presentation details the FY19 progress on the MEP metric project funded through DOE VTO's SMART Mobility Consortium.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Advances in genome-scale metabolic models of industrially important fungi

Many fungal species have been used in industrial production for biofuels and bioproducts. Developing strains with better performance in biomanufacturing requires systematic understanding of cellular metabolism. Genome-scale metabolic models (GEMs) offer a comprehensive view of interconnected pathways and a mathematical framework for downstream analysis. Recently, GEMs have been developed or updated in several industrially important fungi. Some of them incorporate enzyme constraints, enabling improved predictions of cell states and proteome allocation. In this report we provide an overview of these newly developed GEMs and computational methods that facilitate construction of enzyme-constrained GEMs and utilize flux predictions from GEMs. Furthermore, we highlight the pivotal roles of these GEMs in iterative design-build-test- learn cycles, ultimately advancing the field of fungal biomanufacturing.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Identification and Evaluation of Thermal Transport Components for Integrated Energy Systems

A proper evaluation and selection of component technologies is a critical aspect in the development of Integrated Energy System (IES). This study aims to investigate the key components and associated technologies required to build high-temperature heat transport systems for IES. Of particular interest is the component technologies needed to design and construct IES that combines advanced nuclear reactors with high-temperature industrial processes. This study particularly delved into knowledge base, evaluation metrics, and state-of-the-art commercial technologies, aiming to facilitate the evaluation and selection process of various thermal transport components. In addition, an evaluation process was proposed in order to assist in the optimal selection of the thermal transport components based on the knowledge base and evaluation metrics investigated through this study.

42 ENGINEERING↗
DOE OSTI2025

Surrogate-constructed scalable-circuits adaptive variational quantum eigensolver in the Schwinger model

Inspired by recent advancements in simulating periodic systems on quantum computers, we develop an approach to further advance the simulation of these systems, named (SC) 2 -ADAPT-VQE. Our approach extends the scalable-circuits ADAPT-VQE framework, which builds an ansatz from a pool of coordinate-invariant operators defined for arbitrarily large, though not arbitrarily small, volumes. Our method uses a classically tractable “surrogate constructed” method to remove irrelevant operators from the pool, reducing the minimum size for which the scalable circuits are defined. Bringing together the scalable circuits and the surrogate constructed approaches forms the core of the (SC) 2 methodology. Our approach allows for a wider set of classical computations on small volumes, which can be used for a more robust extrapolation protocol. While developed in the context of lattice models, the surrogate construction portion is applicable to a wide variety of problems where information about the relative importance of operators in the pool is available. As an example, we use it to compute the properties of the Schwinger model—quantum electrodynamics for a single, massive fermion in 1 +1 dimensions—and show that our method can be used to accurately extrapolate to the continuum limit.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Improving and Automating Building Model Data Exchange

There are many instances throughout a project’s lifecycle where there arises a need for quick and accurate risk assessment of building designs. For example, an unexpected design change during construction may necessitate structural engineers to perform a seismic risk assessment on analytical models of the updated building design using high fidelity structural analysis software, such as ANSYS or Abaqus. However, the efficiency of such workflows often depends upon the interoperability of architectural design software and structural analysis software. When the quality of this interoperability is lacking or even non-existent, the efficiency of virtual engineering workflows is hampered, which increases project costs. A McGraw Hill industry survey of professional users of Building Information Modeling (BIM) technologies found that there is high demand for BIM interoperability for structural analysis, but that the value/difficulty ratio is currently too low for practical use. There have been efforts by the academic community to facilitate model data exchange between the architectural design and structural analysis domains, but such solutions have not been widely adopted by industry, face technical challenges, and oftentimes are limited in applicability for users of various BIM software. Therefore, INL is developing capabilities to improve, automate, and generalize model data exchange between architectural BIM software (e.g., Revit) and structural analysis software (e.g., SAP2000, ANSYS). The goal is to help expedite and automate as much of the pre-processing step for creating analytical models in finite element analysis software as reasonably as possible. Such a "BIM-to-FEA" conversion tool should provide direct benefit to end-users through accuracy, automation, quick turn-around, and wide applicability. To generalize the application of this BIM-to-FEA conversion tool and increase its useability among the many different commercial BIM software currently used by industry, the program is being developed with the concept of openBIM. OpenBIM is the application of non-proprietary, open data standards that allow for BIM model data exchange in a format that is accessible, retainable, and useable for all users. The most widely used open, non-proprietary data exchange format for BIM is the Industry Foundation Classes (IFC) schema. IFC is developed by buildingSMART international and is ISO certified (ISO 16739-1:2018). The BIM-to-FEA conversion tool is being developed for compatibility with typical commercial building designs of steel framed structures. The tool is currently capable of importing architectural BIM data of framed building structures, recognizing and extracting the aspects of the model that are required for structural analysis, adjusting the connectivity of frame members, and finally exporting to an analytical model stored in the IFC format. The exported IFC analytical model can then be imported into various openBIM compliant software, such as SAP2000. Such capabilities have already been tested on commercial software, as shown above, and continue to be improved. Work is underway to test the conversion on various commercial BIM software, develop a user-friendly interface, incorporate the program into the broader DeepLynx data warehouse project being developed by INL, and to eventually open-source the tool for the benefit of the community. Future development of the tool envisions the ability for efficient iterative risk assessment of generative building designs, all within a workflow utilizing open-source tools. One such open-source tool will be MOOSE, an advanced finite element analysis tool developed at INL. The conversion tool will also branch out from typical commercial building designs and will aim to incorporate nuclear construction. The aim will be to convert both structural and non-structural components of nuclear facilities, such as curved concrete containment structures and piping systems, respectively.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

DOE-ART HT(G)R R&D Overview

The US Government currently has no plans to finance or build advanced nuclear reactors. Instead, the DOE performs research and development to raise the technological readiness of new concepts, fuels and component materials so that private industrial partners are more likely to design and build plants. Develop technologies that can enable new concepts and designs to achieve greater levels of safety and resilience, flexibility of use, sustainability and construction or operational affordability. Collaborate with industry to identify and conduct essential research to reduce technical risk associated with advanced reactor technologies. Sustain essential technical expertise and capabilities within national laboratories, universities, and industry to perform needed research. Collaborate with the Nuclear Regulatory Commission and Standards Developing Organizations (ASME, ANS, ANSI, etc.) to address gaps in codes and standards to support advanced reactor designs

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Support of the Massachusetts — NREL Wind Technology Testing Center (Cooperative Research and Development Final Report)

Under the shared-resources CRADA agreement, NREL will collaborate with the Massachusetts Technology Park Corporation, d/b/a Massachusetts Technology Collaborative (MTC), in its efforts to design, construct, and operate the Massachusetts-NREL Wind Technology Testing Center (WTTC), which is an advanced blade testing facility capable of testing blades up to at least 70 meters in length. The WTTC building will be owned and the facility operated by the MTC. In the CRADA, NREL agrees to provide certain capital equipment and certain NREL employees at the WTTC facility for training, commissioning, and continued technical assistance. In addition, NREL will provide one or more Laboratory staff to serve on any WTTC advisory committee, a no-cost license of the NREL blade-resonance fatigue testing technology (NREL Testing IP) and training to MA staff at the NREL blade test facilities in Colorado. MTC will provide all other resources necessary to design, construct, and operate the WTTC.

17 WIND ENERGY↗
DOE OSTI2022

Single electrons on solid neon as a solid-state qubit platform

Progress towards the realization of quantum computers requires persistent advances in their constituent building blocks-qubits. Novel qubit platforms that simultaneously embody long coherence, fast operation and large scalability offer compelling advantages in the construction of quantum computers and many other quantum information systems 1-3 . Electrons, ubiquitous elementary particles of non-zero charge, spin and mass, have commonly been perceived as paradigmatic local quantum information carriers. Despite superior controllability and configurability, their practical performance as qubits through either motional or spin states depends critically on their material environment 3-5 . In this work, we report our experimental realization of a qubit platform based on isolated single electrons trapped on an ultraclean solid neon surface in vacuum 6-13 . By integrating an electron trap in a circuit quantum electrodynamics architecture 14-20 , we achieve strong coupling between the motional states of a single electron and a single microwave photon in an on-chip superconducting resonator. Qubit gate operations and dispersive readout are implemented to measure the energy relaxation time T 1 of 15 μs and phase coherence time T 2 over 200 ns. These results indicate that the electron-on-solid-neon qubit already performs near the state of the art for a charge qubit 21 .

36 MATERIALS SCIENCE↗
DOE OSTI2023

FY23 Status Report of the Activated Materials Laboratory at the Advanced Photon Source

The Activated Materials Laboratory (AML) is a new radiological facility located at the Advanced Photon Source (APS) in Argonne National Laboratory (ANL), adjacent to the high-energy x-ray microscopy (HEXM) beamline in the long beamline building (LBB) constructed under the APS-upgrade (APS-U) project. The AML is a centralized facility to facilitate the safe conduct of experiments on activated materials at the APS. This report provides an overview of the status of the AML as a Nuclear Science User Facilities (NSUF) partner user facility in preparation for the general user access in 2024 upon the commissioning of the APS-U beamlines. Specifically, details are provided regarding the laboratory's scope, functionality, components, operational blueprint, and data management approach. The plans on augmenting the instrumentation, refining operational procedures and developing a robust data management strategy for FY24 and beyond are also discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

FY24 accomplishments in preparation for startup of Activated Materials Laboratory (AML)

The Activated Materials Laboratory (AML) will be a new radiological facility at the Advanced Photon Source (APS) in Argonne National Laboratory (ANL), adjacent to the high-energy x-ray microscopy (HEXM) beamline in the long beamline building (LBB) constructed under the APS-upgrade (APS-U) project. The AML is a centralized facility to facilitate the safe conduct of experiments on activated materials at the APS. This report provides an overview of the status of the AML as a Nuclear Science User Facilities (NSUF) partner user facility in preparation for the general user access in 2025 upon the commissioning of the APS-U beamlines. The AML's scope, functionality and components are detailed. The NSUF partner beamlines’ commissioning status in the post-APS-U era is provided, along with the AML’s operational updates and operational plan.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

From Long-distance Entanglement to Building a Nationwide Quantum Internet: Report of the DOE Quantum Internet Blueprint Workshop

A Quantum Path Forward. Today, many scientific experts recognize that building and scaling quantum-protected and enhanced communication networks are among the most important technological frontiers of the 21st century. The international research community perceives the construction of a first prototype global quantum network-the Quantum Internet-to be within reach over the next decade. In February 2020, the U.S Department of Energy (DOE)'s Office of Advanced Scientific Computing Research hosted the Quantum Internet Blueprint workshop to define a potential roadmap toward building the first nationwide quantum Internet. The workshop participants included representatives from DOE national laboratories, universities, industry, and other U.S. agencies with serious interests in quantum networking. The goal was to provide an outline of the essential research needed, detail any engineering and design barriers, and suggest a path forward to move from today's limited local network experiments to a viable, secure quantum Internet.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

From Long-distance Entanglement to Building a Nationwide Quantum Internet: Report of the DOE Quantum Internet Blueprint Workshop

A Quantum Path Forward. Today, many scientific experts recognize that building and scaling quantum-protected and enhanced communication networks are among the most important technological frontiers of the 21st century. The international research community perceives the construction of a first prototype global quantum network-the Quantum Internet-to be within reach over the next decade. In February 2020, the U.S. Department of Energy (DOE)'s Office of Advanced Scientific Computing Research hosted the Quantum Internet Blueprint workshop to define a potential roadmap toward building the first nationwide quantum Internet. The workshop participants included representatives from DOE national laboratories, universities, industry, and other U.S. agencies with serious interests in quantum networking. The goal was to provide an outline of the essential research needed, detail any engineering and design barriers, and suggest a path forward to move from today's limited local network experiments to a viable, secure quantum Internet.

Peters, Nicholas↗
DOE OSTI2026

Framework for Modeling 3D-Printed Concrete Construction to Assess Energy Efficiency and Backup Power Trade-Offs in a Mixed-Use, New Construction Neighborhood Development

This paper presents a framework that expands the URBANopt(TM) modeling platform to include 3D-printed concrete wall assemblies and assess energy efficiency and backup power trade-offs in new housing developments. Applied to a planned mixed-use neighborhood in Oil City, Pennsylvania, the workflow integrates building energy and distributed energy resource (DER) modeling to evaluate envelope and equipment upgrades alongside DER operations. Results show that advanced 3D-printed envelopes combined with efficient systems and onsite photovoltaics (PV) and storage reduce energy use intensity and sustain critical loads during outages. The framework supports planning for emerging construction technologies by quantifying key trade-offs between energy efficiency and backup power performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Population Balance Models for Catalytic Depolymerization: From Elementary Steps to Multiphase Reactors

Here, the ongoing accumulation of plastic waste in landfills and in the environment is driving research on chemical processes and catalysts to recycle polymers. Traditional modeling strategies are not applicable to these processes because they involve too many reactants and intermediates, one for each molecular weight and each functionalization. To model the kinetics, we have developed population balance models (PBMs) that account for macromolecular reactants in the bulk and macromolecular catalytic intermediates. These PBMs couple to each other through polymer adsorption and desorption models and to traditional rate equations for small molecule products and co-reactants (like hydrogen or ethylene). The models, in combination with experimental data, are being used in many ways: (i) to test mechanistic hypotheses, (ii) to extract rate parameters, (iii) to quantitatively compare catalyst activities, (iv) to account for mass transfer and vapor–liquid partitioning in two-phase reactors, and (v) to design novel support architectures and catalysts that mimic the processive action of natural depolymerization enzymes. Some key theoretical advances allow PBMs to be constructed from elementary rates and mechanisms, as opposed to traditional formulations with pseudoelementary rate parameters invoked as fitting parameters. We discuss ways to build these models “bottom-up” from first-principles calculations and ways to extract model parameters from “top down” analyses of rate data. The combination provides a quantitative bridge between first-principles calculations and the kinetics of complex macromolecular transformations for polymer upcycling and beyond.

Manis, Lela K. [University of Illinois at Urbana-C↗
DOE OSTI2024

Construction of Reconfigurable and Polymorphic DNA Origami Assemblies with Coiled‐Coil Patches and Patterns

Abstract DNA origami nanodevices achieve programmable structure and tunable mechanical and dynamic properties by leveraging the sequence‐specific interactions of nucleic acids. Previous advances have also established DNA origami as a useful building block to make well‐defined micron‐scale structures through hierarchical self‐assembly, but these efforts have largely leveraged the structural features of DNA origami. The tunable dynamic and mechanical properties also provide an opportunity to make assemblies with adaptive structures and properties. Here the integration of DNA origami hinge nanodevices and coiled‐coil peptides are reported into hybrid reconfigurable assemblies. With the same dynamic device and peptide interaction, it is made multiple higher‐order assemblies (i.e., polymorphic assembly) by organizing clusters of peptides into patches or arranging single peptides into patterns on the surfaces of DNA origami to control the relative orientation of devices. The coiled‐coil interactions are used to construct circular and linear assemblies whose structure and mechanical properties can be modulated with DNA‐based reconfiguration. Reconfiguration of linear assemblies leads to micron scale motions and ≈2.5‐10‐fold increase in bending stiffness. The results provide a foundation for stimulus‐responsive hybrid assemblies that can adapt their structure and properties in response to nucleic acid, peptide, protein, or other triggers.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Rapid data acquisition and machine learning-assisted composition design of functionally graded alloys via wire arc additive manufacturing

Abstract The lack of high-quality datasets in materials science hinders artificial intelligence (AI)-driven alloy design. To address this challenge, wire arc additive manufacturing (WAAM) was employed to fabricate graded alloys, generating extensive data for machine learning (ML)-assisted property prediction. ML models were developed using high-throughput experiments, computational models, and genetic algorithm to optimize feature selection, successfully predicting hardness and porosity. The ML model demonstrated its efficacy by designing a gradient alloy with enhanced properties. However, scaling up revealed uncertainties in tensile property and porosity due to differences in size and thermal conditions between the designed alloy build and the gradient print used to construct the ML model. This underscores the need for uncertainty quantification and process optimization in WAAM-driven alloy design. Our work advances AI-integrated additive manufacturing, offering a rapid approach to exploring process–structure–property relationships and accelerating materials development.

Wang, Xin↗
DOE OSTI2026

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↗