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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 OSTI2020

A Physically-Based Model for Thermo-Oxidative and Hydrolytic Aging of Elastomers

A computationally efficient model is proposed to capture the loss of mechanical performance due to chemical aging that are formed as the competition of chain scission and cross-link formation/dissolution, such as thermo-oxidative aging or hydrolytic aging. The model should be considered an extension of our recent models [1, 2, 3] which further simplifies the matrix behavior based on the assumption of independence of environmental and mechanical damage. The model uses this assumption to reduce the necessary material parameters needed to model constitutive and inelastic behavior of elastomers during aging. To this end, the model can provide accurate predictions of the material performance with the significantly fewer number of fitting parameters. The model is relevant for all decay mechanisms formed by the occurrence of two simultaneous micro-mechanisms; (i) formation/reduction of the cross-links, and (ii) chain scission, both of which are present in thermo-oxidation and hydrolytic aging. Assuming the alteration of the chain density along the aging trajectory is identical to the peroxide cross-link density for thermo-oxidation, and the change of the average molecular weight for hydrolysis, the strain energy of polymer matrix can be rewritten as a function of deformation, deformation history, storage time and aging temperature. Next, the modified network alteration model is formulated for implementation into Finite Element (FE) simulations. The model is built on the presumption of homogeneous and consistent oxygen/water absorption and thus is mainly relevant for relatively thin samples exposed to environmental loads for a long time. The proposed model includes only six physically inspired material parameters. Therefore, while it is computationally efficient, it shows good agreement with own experimental data, which performed on various range of accelerated aging temperatures and times. With respect to its computational efficiency, simplicity, accuracy, and interpret-ability, the model is the right choice for advanced implementations in FE programs.

42 ENGINEERING↗
DOE OSTI2023

Design principles for lifelong learning AI accelerators

Lifelong learning-an agent's ability to learn throughout its lifetime-is a hallmark of biological learning systems and a central challenge for artificial intelligence (AI). The development of lifelong learning algorithms could lead to a range of novel AI applications, but this will also require the development of appropriate hardware accelerators, particularly if the models are to be deployed on edge platforms, which have strict size, weight and power constraints. Here we explore the design of lifelong learning AI accelerators that are intended for deployment in untethered environments. We identify key desirable capabilities for lifelong learning accelerators and highlight metrics to evaluate such accelerators. We then discuss current edge AI accelerators and explore the future design of lifelong learning accelerators, considering the role that different emerging technologies could play. The Perspective explores the future design of lifelong learning artificial intelligence (AI) accelerators that are intended for deployment in untethered environments, identifying key desirable capabilities for such edge AI accelerators and guidance on metrics to evaluate them.

42 ENGINEERING↗
DOE OSTI2024

Strategies for Developing High-Volume Fly Ash Concrete with High Early-Age Strength for Precast Applications

Partial replacement of portland cement with supplementary cementitious materials (SCMs), such as fly ash, is an effective strategy for improving durability and reducing the CO 2 footprint of concrete. However, using high-volume fly ash (HVFA) binders in precast and prestressed concrete is currently limited; largely due to reduced early-age strength development that impedes rapid production and prestressing of precast concrete. To investigate and address this challenge, HVFA mortars with a minimum of 40% fly ash by mass of cementitious materials were developed and tested in this study. Two fresh fly ashes (an ASTM C618 Class F and a Class C) and a landfilled fly ash (Class F) were included. Various strategies for improving the early strength were evaluated, including gypsum optimization, chemical accelerators, steam curing, use of CSA cements, and adding other reactive SCMs like silica fume, calcined clay, and slag cement. Steam curing and the use of CSA cement at high dosages (40% of total binder) were found to be the most successful strategies across all three fly ashes. Additionally, significant improvements were observed with gypsum optimization (for Class C fly ash) and the use of accelerators (for Class F fly ashes), and these strategies are likely to be more feasible considering later-age strength and economic viability. Interestingly, HVFA mixtures made with the landfilled fly ash used in this study were able to achieve high early strengths with water-to-cementitious materials ratio adjustment alone. As a result, these HVFA mixtures were also found to be less responsive to accelerators when compared to the fresh Class F fly ash, highlighting an important distinction between the materials despite the similarity in chemical composition.

42 ENGINEERING↗
DOE OSTI2019

High-Performance Bi-2212 Round Wires Made With Recent Powders

Multifilamentary Bi 2 Sr 2 CaCu 2 O x (Bi-2212) wire made by the powder-in-tube technique is the only high-temperature superconductor made in the round shape preferred by magnet builders. The critical current density (J C ) of Bi-2212 round wire was improved significantly by the development of overpressure heat treatment in the past few years. Bi-2212 wire is commercially available in multiple architectures and kilometer-long pieces and is a very promising conductor for very high-field NMR and accelerator magnets. Here, we studied the effects of precursor powder and heat treatment conditions on the superconducting properties and microstructure of recent Bi-2212 wires. Short samples of recent wire with optimized overpressure processing showed J C (4.2 K, 15 T) = 6640 A/mm 2 and J C (4.2 K, 30 T) = 4670 A/mm 2 , which correspond to engineering critical current densities J E (4.2 K, 15 T) = 1320 A/mm 2 and J E (4.2 K, 30 T) = 930 A/mm 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Tutorial on forming through-silicon vias

Through-silicon vias (TSVs) are a critical technology for three-dimensional integrated circuit technology. These through-substrate interconnects allow electronic devices to be stacked vertically for a broad range of applications and performance improvements such as increased bandwidth, reduced signal delay, improved power management, and smaller form-factors. There are many interdependent processing steps involved in the successful integration of TSVs. This article provides a tutorial style review of the following semiconductor fabrication process steps that are commonly used in forming TSVs: deep etching of silicon to form the via, thin film deposition to provide insulation, barrier, and seed layers, electroplating of copper for the conductive metal, and wafer thinning to reveal the TSVs. Recent work in copper electrochemical deposition is highlighted, analyzing the effect of accelerator and suppressor additives in the electrolyte to enable void-free bottom-up filling from a conformally lined seed metal.

42 ENGINEERING↗
DOE OSTI2018

Photovoltaic Manufacturing Consortium (PVMC) – Enabling America’s Solar Revolution

The U.S. Photovoltaic Manufacturing Consortium (US-PVMC) is an industry-led consortium which was created with the mission to accelerate the research, development, manufacturing, field testing, commercialization, and deployment of next-generation solar photovoltaic technologies. Formed as part of the U.S. Department of Energy's (DOE) SunShot initiative, and headquartered in New York State, PVMC is managed by the State University of New York Polytechnic Institute (SUNY Poly) at the Colleges of Nanoscale Science and Engineering. PVMC is a hybrid of industry-led consortium and manufacturing development facility, with capabilities for collaborative and proprietary industry engagement. Through its technology development programs, advanced manufacturing development facilities, system demonstrations, and reliability and testing capabilities, PVMC has demonstrated itself to be a recognized proving ground for innovative solar technologies and system designs. PVMC comprises multiple locations, with the core manufacturing and deployment support activities conducted at the Solar Energy Development Center (SEDC), and the core Si wafering and metrology technologies being headed out of the University of Central Florida. The SEDC provides a pilot line for proof-of-concept prototyping, offering critical opportunities to demonstrate emerging concepts in PV manufacturing, such as evaluations of innovative materials, system components, and PV system designs. The facility, located in Halfmoon NY, encompasses 40,000 square feet of dedicated PV development space. The infrastructure and capabilities housed at PVMC includes PV system level testing at the Prototype Demonstration Facility (PDF), manufacturing scale cell & module fabrication at the Manufacturing Development Facility (MDF), cell and module testing, reliability equipment on its PV pilot line, all integrated with a PV performance database and analytical characterizations for PVMC and its partners test and commercial arrays. Additional development and deployment support are also housed at the SEDC, such as cost modeling and cost model based development activities for PV and thin film modules, components, and system level designs for reduced LCOE through lower installation hardware costs, labor reductions, soft costs and reduced operations and maintenance costs. The progression of the consortium activities started with infrastructure and capabilities build out focused on CIGS thin film photovoltaics, with a particular focus on flexible cell and module production. As marketplace changes and partners objectives shifted, the consortium shifted heavily towards deployment and market pull activities including Balance of System, cost modeling, and installation cost reduction efforts along with impacts to performance and DER operational costs. The consortium consisted of a wide array of PV supply chain companies from equipment and component suppliers through national developers and installers with a particular focus on commercial scale deployments (typically 25 to 2MW installations). With DOE funding ending after the fifth budget period, the advantages and disadvantages of such a consortium is detailed along with potential avenues for self-sustainability is reviewed.

14 SOLAR ENERGY↗
DOE OSTI2022

In-Situ Pipeline Coatings for Methane Emissions Mitigation and Quantification from Natural Gas Pipelines

Addressing the current health of the nation’s existing 3 million miles of pipeline infrastructure is key to preventing further climate change. In 2020, natural gas production exceeded 34 trillion cubic feet (Tcf). Roughly 75% of natural gas consists of methane (CH 4 ), which is up to 25 times more powerful than carbon dioxide (CO 2 ) at trapping heat within the atmosphere over a 100-year period, and studies from the Environmental Defense Fund (EDF) estimate approximately 2% of all the natural gas produced will be lost during normal operations due to unaddressed leaks. This does not even consider the risks of major disaster due to pipeline failure, or the losses and extra fuel costs incurred due to corrosion and scale deposits in under-maintained pipelines. The objective of the proposed research is to demonstrate the protection capabilities and economic benefits of Oceanit’s internal pipe surface treatment, known as DragX™. DragX™ is a chemically resistant, water-and-oil repellent nanocomposite system that can be readily applied in-situ on natural gas transmission and distribution pipelines with a minimum of surface preparation. This makes it an ideal candidate for in-place retrofitting and refurbishment of existing pipelines without the need for expensive extraction and replacement. DragX™ is also able to significantly reduce the surface roughness, and subsequently, the frictional drag forces within a pipeline, improving throughput, decreasing energy costs of pressurization and pumping, and allowing for longer pipeline operation without interruption, reducing the methane emitted during pipe isolation and venting. As part of this project, Oceanit has utilized the Department of Energy’s support to fully develop, de-risk and prove the DragX™ core technology is both economically viable and commercially desirable to pipeline operators and energy companies alike. DragX™ material properties were optimized in this effort both for ease of applicability, to provide value in certain key parameters, and was demonstrated on pilot applications exceeding 2 miles in length. Beyond the already field demonstrated applications, this innovative nanocomposite surface treatment has the potential to be the backbone for CO 2 and Hydrogen transporting pipeline infrastructure. The learnings from this project could accelerate the deployment of surface treatment technologies related to the energy transition infrastructure, thus benefitting the clean energy initiatives in the United States and all around the world.

03 NATURAL GAS↗
DOE OSTI2021

Cytochrome Nanowire XRD

Microbial metabolism plays an important role in the global cycling of carbon, nutrients, and metals. Recent discovery of microorganisms sharing energy using direct electrical connections might represent a prominent strategy by which anaerobic microorganisms interact with the diversity of environments. The purpose of the proposed research is to apply these newly developed principles of electron exchange in microbial communities to the study of biogeochemical cycling in climate and subsurface systems. Previous studies revealed that soil bacteria Geobacter sulfurreducens produce conductive pili nanofilaments that facilitate long-range electron transport to extracellular electron acceptors and other cells. This discovery has already transformed our understanding of the function of microbial communities in diverse environments, making basic contributions to microbial ecology and helping to improve practical applications such as increasing current output of microbial fuel cells and enhancing the conversion of organic waste to methane. Microbial electron exchange via pili may also contribute to methane production in terrestrial environments that are major sources of atmospheric methane. However, the mechanism of electron transport through pili is not well understood. Initial studies have suggested that pili exhibit metallic-like conductivity similar to conducting polymer polyaniline. However, these studies were limited to electrical measurements. X-ray diffraction studies have suggested that aromatic amino acids tyrosine and phenylalanine are closely packed in pili. But these studies used homology modeling to predict the pilus assembly and information about the number of monomers in each pilus assembly unit and their organization are still lacking. The central hypothesis of this proposal is aromatics in pili enable intermolecular electron delocalization due to pi-stacking that can give rise to metallic-like conductivity. By analyzing pili structure using infrared scattering-scanning near field optical microscope (IR s-SNOM) and combining with solution NMR, Focused Ion Beam (FIB and computational capabilities, this work will provide comprehensive understanding of the conduction mechanism from a structure-function perspective. The specific aims are: 1) With infrared scattering scanning near field optical microscope (IR s-SNOM), image the organization and density of pilin monomers and pH-induced conformational changes in a pilus filament. 2) With solution NMR, resolve pH-induced structural changes in the pilin monomer. 3) Using Focused Ion Beam (FIB), draw electrodes on single pili to measure their conductivity. 4) With computational modeling using the NWChem, simulate the effect of environment on the electronic properties of pili as a function of pH. The proposed work will gain the nanoscale insight into the structure of the pili, as the basis for understanding interspecies electrical communications. The improved understanding will be harnessed to accelerate bioenergy production and bioremediation using pili as well as for predictive modeling of carbon cycling in diverse environments to reach the central goals of DOE-BER to develop sustainable energy sources, regulate the contaminants in the subsurface and understand the effects of greenhouse gas emissions on biosphere. The proposed studies will provide design principles for engineering of electrical interactions among these communities by manipulating the amino acid composition of pili. Moreover, these studies will identify the forces that maintain the function of these communities in the face of environmental perturbation. Therefore, these studies will help to address the need "to incorporate process understanding of biogeochemical cycling into a scalable hierarchy of predictive capabilities" specified in EMSL's Science Themes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Engineering Atomic-to-Nano Scale Structural Homogeneity towards High Corrosion Resistance of Amorphous Magnesium-Based Alloys

Magnesium-based amorphous alloys have aroused broad interest in being applied in marine use due to their merits of lightweight and high strength. Yet, the poor corrosion resistance to chloride-containing seawater has hindered their practical applications. Herein, we propose a new strategy to improve the chloride corrosion resistance of amorphous Mg 65 Cu 15 Ag 10 Gd 10 alloys by engineering atomic-to-nano scale structural homogeneity, which is implemented by heating the material to the critical temperature of the liquid–liquid transition. By using various electrochemical, microscopic, and spectroscopic characterization methods, we reveal that the liquid–liquid transition can rearrange the local structural units in the amorphous structure, slightly decreasing the alloy structure’s homogeneity, accelerate the formation of protective passivation film, and, therefore, increase the corrosion resistance. Our study has demonstrated the strong coupling between an amorphous structure and corrosion behavior, which is available for optimizing corrosion-resistant alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Classic and Quantum Task-Based Intelligent Runtime for QIRs Running on Multiple QPUs

High-performance computing systems are rapidly evolving into heterogeneous platforms that fuse quantum accelerators with traditional classical processing units (CPUs) and graphical processing units (GPUs). This convergence calls for runtimes capable of managing both classical and quantum workloads in a unified manner. We introduce an intelligent, task-based runtime that marries the Intelligent RuntIme System (IRIS) asynchronous scheduler with a quantum programming stack through the Quantum Intermediate Representation Execution Engine (QIR-EE). Our design allows programs written in the quantum intermediate representation (QIR) to be dispatched concurrently to a variety of back-ends, including multiple quantum simulators and nascent quantum processors, enabling genuine hybrid execution on a single node. To illustrate its practicality, we partition a 4-qubit and 20-qubit circuit into three sub-circuits using quantum circuit cutting via the QCut library. Each sub-circuit is simulated independently by the QIR-EE driver within IRIS, after which a classical post-processing step merges the simulation results to recover the outcome of the original full-circuit computation. This case study demonstrates how finer task granularity can enable the parallel execution and lower the simulation burden per quantum task while preserving overall accuracy, highlighting the feasibility of our hybrid approach.

Miniskar, Narasinga Rao [ORNL] (ORCID:000000018259↗
DOE OSTI2026

WM26 Paper Multi-Robot Collaboration for Hazardous Environments

Hazardous nuclear and industrial facilities are rarely designed for robots. Work in these domains demand precise manipulation and robust mobility in cluttered, constrained spaces where off-the-shelf platforms struggle and “one-size-fits-all” machines become costly and complex. Idaho National Laboratory (INL) is developing an autonomous, multi-robot inspection system that coordinates task-specific platforms rather than relying on a single omni-tool robot. An electric truck serves as a power and compute hub for a custom manipulator co-developed with Florida International University (FIU), a commercial mini crawler, a pan–tilt–zoom camera, and a Nexxis Argus LiDAR mapping system. Working in concert, these robots generate spatial, radiation, and temperature maps of the pit environments at the Hanford Waste Tank Farms. These systems will capture visual records and environmental telemetry to allow for analysis post inspection. The system architecture uses Robot Operating System 2 (ROS 2) for publish/subscribe integration, NVIDIA Isaac Sim and Unity for simulation and visualization, and algorithms such as NVBlox to fuse data into unified 3D overlays. This robot-agnostic approach reduces operator burden by enabling autonomy across heterogeneous platforms and lets each robot be used where it is strongest. Having autonomous functions means operators don’t have to fully control multiple different components. The ease of use could allow for more widespread adoption of advanced robotics at waste management sites that see continued use. By coordinating simpler, purpose-built mechanisms, the approach lowers design and manufacturing complexity, reduces capital risk in contaminated settings, and improves controllability for complex inspection and manipulation tasks. We present the architecture, early results, and lessons learned from building and deploying this coordinated multi-robot system, with the goal of accelerating safe, cost-effective adoption of advanced robotics at waste-management sites.

42 - ENGINEERING↗
DOE OSTI2023

An interoperable implementation of collective‐variable based enhanced sampling methods in extended phase space within the OpenMM package

Collective variable (CV)-based enhanced sampling techniques are widely used today for accelerating barrier-crossing events in molecular simulations. A class of these methods, which includes temperature accelerated molecular dynamics (TAMD)/driven-adiabatic free energy dynamics (d-AFED), unified free energy dynamics (UFED), and temperature accelerated sliced sampling (TASS), uses an extended variable formalism to achieve quick exploration of conformational space. These techniques are powerful, as they enhance the sampling of a large number of CVs simultaneously compared to other techniques. Extended variables are kept at a much higher temperature than the physical temperature by ensuring adiabatic separation between the extended and physical subsystems and employing rigorous thermostatting. Here, in this work, we present a computational platform to perform extended phase space enhanced sampling simulations using the open-source molecular dynamics engine OpenMM. The implementation allows users to have interoperability of sampling techniques, as well as employ state-of-the-art thermostats and multiple time-stepping. This work also presents protocols for determining the critical parameters and procedures for reconstructing high-dimensional free energy surfaces. As a demonstration, we present simulation results on the high dimensional conformational landscapes of the alanine tripeptide in vacuo, tetra-N-methylglycine (tetra-sarcosine) peptoid in implicit solvent, and the Trp-cage mini protein in explicit water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

From Stewardship to Transformation: Toward a Nuclear Enterprise for the 21st Century

The erosion of the global security environment over the last two decades has been rapid and dramatic. It appears also to be accelerating. There are deep and widening concerns in the United States and among its allies and partners that deterrence too has eroded at both the conventional and nuclear levels. The Strategic Posture Commission captured the essence of the problem in its October 2023 report—the United States seeks to meet the challenges of complex multipolar nuclear rivalry in the 21 st century with a slimmed down version of a nuclear deterrent designed in the middle of the 20 th century. With great urgency, the Commission recommended that something more and/or different is needed than simply the replacement of legacy systems with modern variants. But the U.S. nuclear security enterprise was reshaped after the Cold War to support the stockpile stewardship mission—not renewed designed, engineering, and production at scale. It has long fallen short of the agility, flexibility, and adaptiveness periodically asked of it by national leaders. In recent years, however, the message of urgency has been clearly received in the enterprise. Its culture has begun to shift. It has also been received by those in Washington D.C. responsible for funding and guiding the enterprise. The result is an enterprise in transition. Stockpile stewardship has given way to stockpile transformation. Risk aversion is giving way to risk management. Innovation and adaptation have been embraced. Experience to date has yielded some important lessons about what works and what doesn’t in terms of accelerating and delivering the needed innovation and adaptation. It has revealed the enduring character of some challenges. But it has also revealed that a much more agile and effective enterprise is within the national reach—something that will pay important dividends for deterrence, assurance, strategic stability, and peace.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

Viral delivery of an RNA-guided genome editor for transgene-free germline editing in Arabidopsis

Genome editing is transforming plant biology by enabling precise DNA modifications. However, delivery of editing systems into plants remains challenging, often requiring slow, genotype-specific methods such as tissue culture or transformation1. Plant viruses, which naturally infect and spread to most tissues, present a promising delivery system for editing reagents. However, many viruses have limited cargo capacities, restricting their ability to carry large CRISPR-Cas systems. Here we engineered tobacco rattle virus (TRV) to carry the compact RNA-guided TnpB enzyme ISYmu1 and its guide RNA. This innovation allowed transgene-free editing of Arabidopsis thaliana in a single step, with edits inherited in the subsequent generation. By overcoming traditional reagent delivery barriers, this approach offers a novel platform for genome editing, which can greatly accelerate plant biotechnology and basic research.

Weiss, Trevor↗
DOE OSTI2024

Phase-Field Modeling of Thermally-Grown Oxide and the Induced Damage Evolution in Environmental Barrier Coatings

The advent of next-generation hydrogen-based engines necessitates materials capable of withstanding temperatures beyond the reach of current superalloys. SiC-based ceramic matrix composites, augmented with environmental barrier coatings (EBCs), present a promising materials solution. Given the active search for effective and durable EBCs, there is a pressing need for modeling tools to understand and predict damage evolution in these materials to help accelerate their development. This study introduces a phase-field model (PFM) designed to simulate the critical role of thermally grown oxides (TGO) in the degradation and failure of EBCs. The model accounts for the severe volume expansion due to oxidation, alongside phase transformations and microstructural evolution during thermal cycling, offering a comprehensive view of the damage processes. Simulation results are validated against experimental findings reported in the literature, establishing the model's potential as a significant tool for understanding and improving the resilience of EBCs in cyclic oxidative environments.

Cheng, Tianle↗
DOE OSTI2025

Phase Field Modeling of Chemical Reaction Related Damage Evolution in Environmental Barrier Coatings

The advent of next-generation engines necessitates materials capable of withstanding temperatures beyond the reach of current superalloys. SiC-based ceramic matrix composites, augmented with environmental barrier coatings (EBCs), present a promising materials solution. Given the active search for effective and durable EBCs, there is a pressing need for modeling tools to understand and predict damage evolution in these materials to help accelerate their development. This study introduces a phase-field model (PFM) designed to simulate the thermally grown oxides (TGO) and phase transformation in the degradation and failure of EBCs. The model accounts for the severe volume expansion due to oxidation, alongside phase transformations and porosity evolution during thermal cycling, offering a comprehensive view of the damage processes. Simulation results are validated against experimental findings reported in the literature, establishing the model's potential as a significant tool for understanding and improving the resilience of EBCs in cyclic oxidative environments.

fast-diffusion path↗