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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Machine learning assisted prediction of the Young’s modulus of compositionally complex alloys

We identify compositionally complex alloys (CCAs) that offer exceptional mechanical properties for elevated temperature applications by employing machine learning (ML) in conjunction with rapid synthesis and testing of alloys for validation to accelerate alloy design. The advantages of this approach are scalability, rapidity, and reasonably accurate predictions. ML tools were implemented to predict Young’s modulus of refractory-based CCAs by employing different ML models. Our results, in conjunction with experimental validation, suggest that average valence electron concentration, the difference in atomic radius, a geometrical parameter λ and melting temperature of the alloys are the key features that determine the Young’s modulus of CCAs and refractory-based CCAs. The Gradient Boosting model provided the best predictive capabilities (mean absolute error of 6.15 GPa) among the models studied. Our approach integrates high-quality validation data from experiments, literature data for training machine-learning models, and feature selection based on physical insights. It opens a new avenue to optimize the desired materials property for different engineering applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Distributed Ledger Technology for Fault Tolerant Distribution Grid Operations

This paper explores the potential of distributed ledger technology (DLT) to improve fault-tolerant grid operations by leveraging its core features as an immutable, decentralized ledger, a distributed, consensus-based agreement process, and a distributed state-replication engine. Distribution power systems deliver electricity to millions of customers; however, they are susceptible to various threats that can result in customer interruptions. These include faults caused by adverse weather conditions, natural disasters, vegetation growth, equipment failure, and malicious attacks. To minimize the effects of these faults, fault-handling approaches rely on network knowledge to isolate affected areas and reconnect unaffected areas, reducing the number of affected customers while maintaining safety. Here, we present a trusted data-sharing architecture that enables independent, distributed actors to reconstruct the pre-fault system state by enabling distributed resources to make appropriate decisions with limited network/system information. Although the process requires some data sharing between switch-delimited areas, the approach limits the amount of private information shared, preserving customers' privacy and business-sensitive information. We include three use cases that form a foundation for third parties to develop functional solutions that can eventually be deployed in the field. The gross error detection method used within switch-delimited areas can identify sensor errors and accurately detect circuit breaker states. The evaluation of possible reconnection while preserving data ownership resulted in a voltage magnitude difference smaller than 0.001% from the OpenDSS power flow solution that has full system knowledge, which is below the expected power flow tolerance. The approach offers a promising opportunity for improving fault-tolerant distribution grid operations.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Miniaturize the Redox Flow Battery for Accelerated Materials Discovery and Development

Redox flow batteries are a promising technology for grid-scale energy storage. The aqueous organic redox flow battery is of particular interest for its potentially low material cost and sustainability. Developing novel organic active material for flow battery electrolytes typically entails molecular engineering toward desired properties, necessitating organic synthesis. In a research laboratory setting, the synthesis of specifically designed organic molecules featuring targeted functional groups is time and resources intensive. In the past, synthesizing materials required for battery testing has often required gram-scale production, presenting considerable constraints on the pace of novel organic material discovery. In this report, we introduce a miniaturized cell design that mandates only milligram-scale material synthesis while yielding testing outcomes equivalent or superior to those reported with other commercially available or homemade flow cells in the literature. The test results under various pH conditions validate the scale-down strategy to accelerate the flow battery material discovery and development using the newly designed mini cell. This approach offers researchers an efficient means to notably reduce the time and resources required to develop novel materials for flow batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

REVEAL

Reveal allows a user to input location dimensions of common features from 2 orthogonal xray images of a cylindrical object. The output of the program will give the user a 2-Dimensional map with cylindrical coordinates showing the location of the features measured from the xrays.SAND2019-13499 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Hobart, Clinton↗
DOE OSTI2022

R-Stream

R-Stream version 3.21.3, including its TensorFlow front-end (TFRCC) and LLVM 9 front-end. This version includes the features developed in the Portacy Phase II contract. R-Stream is a source-to-source automatic parallelization engine. For usage, please refer to the manuals (In particular, user guide and release notes) available in the package.

Meister, Benoit [Reservoir Labs, Inc., Portland, O↗
DOE OSTI2022

Spack-Manager

SAND2022-3282 O Spack-Manager is a lightweight wrapper for streamlining the software development and deployment cycle using Spack. Spack-Manager creates a uniform framework for developing, testing, and deploying specific software stacks for projects across multiple platforms while utilizing Spack as much as possible. It organizes Spack extensions, machine configurations, project customizations, and tools for features that are mostly project specific. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Sakievich, Philip↗
DOE OSTI2020

Development of Mockups and Instrumentation for Spent Fuel Drying Tests

The purpose of this report is to provide updates on the experimental components, methodology, and instrumentation under development for use in advanced studies of realistic drying operations conducted on surrogate spent nuclear fuel. Validation of the extent of water removal in a dry spent nuclear fuel storage system based on drying procedures used at nuclear power plants is needed to close existing technical gaps. Operational conditions leading to incomplete drying may have potential impacts on the fuel, cladding, and other components in the system. Water remaining in canisters upon completion of drying procedures can lead to cladding corrosion, embrittlement, and breaching, as well as fuel degradation. Additional information is needed on the drying process efficacy to help evaluate the potential impacts of water retention on extended longterm dry storage. A general lack of data suitable for model validation of commercial nuclear canister drying processes necessitates additional, well-designed investigations. Smaller-scale tests that incorporate relevant physics and well-controlled boundary conditions are essential to provide insight and guidance to the simulation of prototypic systems undergoing drying processes. This report describes the implementation of moisture monitoring equipment on a pressurized, submersible system employing a single waterproof, electrically heated spent fuel rod simulator as a demonstration of analytical capabilities during a drying process. A mass spectrometer with specially designed inlets was used to monitor moisture and other gases at 150 kPa to 800 kPa for a test simulating a forced helium dehydration procedure and below 1 torr for tests mimicking a vacuum drying process. The dew point data from the mass spectrometer was found to be in good agreement with a solid-state moisture probe. A distinct advantage of the mass spectrometer system was the capability to directly sample from the hightemperature (>200 °C) head space expected in a prototypic scale experiment where a solid-state moisture probe would suffer considerable loss of accuracy or fail altogether. The operational and analytical experiences gained from this test series are poised to support an expansion to assembly-scale tests at prototypic length. These assemblies are designed to feature prototypic assembly hardware, advanced diagnostics for in situ internal rod pressure monitoring, and failed fuel rod simulators with engineered cladding defects to challenge the drying system with waterlogged fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Strategies for design and synthesis of porous liquids toward carbon capture and separation

Porous liquids (PLs) represent a promising category of sorbents in carbon capture and separation capable of integrating the advantages of flowing liquid and porous solid systems. Well-defined pores were engineered into liquid sorbents via liquifying molecules with stiff interior voids, dissolving rigid porous hosts in flowing liquids, or dispersing porous frameworks in high steric hindrance solvents, producing type I, II, or III PLs, respectively. Unique features of PLs have triggered broad interest in exploring their applications in carbon capture and separation, in which diverse design strategies, synthesis approaches, and enhanced performance have been reported. Here, in this minireview, recent progress in the design, synthesis, and structural engineering of PLs and efforts towards the optimization of their carbon capture and separation behavior will be summarized, including the comparison between PLs with varied types. Porosity engineering into liquid sorbents provides opportunities to resolve challenging issues in conventional sorption and separation systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A phenomenological rate of injection model for predicting fuel injection with application to mixture formation in light-duty diesel engines

Fuel injection rate laws are one of the most important pieces of information needed when modeling engine combustion with computational fluid dynamics. In this study, a simple phenomenological model of a common-rail injector was developed and calibrated for the Bosch CRI2.2 platform. The model requires three tunable parameter fits, making it relatively easy to calibrate and suitable for injector modeling when high-fidelity information about the internal injector’s geometry and electrical circuit details are not available. Each injection pulse is modeled as a sequence of up to four stages: an injection needle mechanical opening transient, a full-lift viscous flow inertial transient, a Bernoulli steady-state stage, and a needle descent transient. Parameters for each stage are obtained as polynomial fits from measured injection rate properties. The model enforces total injected mass, and the intermediate stages are only introduced if the injection pulse duration is long enough. Experimental rates of injection from two separate campaigns on the same injector were used to calibrate the model. The model was first validated against measured injection rate laws featuring pilot injections, short partially premixed combustion pulses, and conventional diesel combustion injection strategies. Then, it was employed as an input to engine computational fluid dynamics simulations, which were run to simulate experiments of mixture formation in an optically accessible light-duty diesel engine. It was found that, though simple, this model is capable of predicting both pilot and main injection pulse mass flow rates well: the simulations yielded accurate predictions of in-cylinder equivalence ratio distributions from injection strategies for both partially premixed combustion and pilot injections. Also, once calibrated, the model produced appropriate results for a wide range of injected mass and rail pressure values. Finally, it was observed that usage of such a relatively simple model can be a good choice when high-fidelity injection rate input and highly detailed information of the injector’s geometry and operation are not available, particularly as noticeable discrepancies can be present also among different experimental campaigns on similar hardware.

42 ENGINEERING↗
DOE OSTI2023

A constitutive framework for rocks undergoing solid dissolution

Here, we formulate a time-dependent damage theory for rocks subjected to mechanical deformation and solid dissolution. The constitutive description is inspired by the transition state theory, which states that the rate of dissolution is a function of the reactive surface area measured through the crack density in the volume. We use a gradient-enhanced damage framework in which damage depends on the deformation of the material as well as on the amount of solid mass dissolved over time. The gradient-enhanced formulation is characterized by a three-field variational formulation with the solid displacement, nonlocal equivalent strain, and nonlocal rate of solid dissolution as the basic state variables. Traditionally, time-independent damage theories have only allowed damage to increase with increasing external load. In the proposed framework, the degree of damage may increase due to solid dissolution even when the external load is held fixed. In this way, solid dissolution is viewed as a process that is responsible for bringing about rate-dependent effects such as creep and stress-relaxation, which are two common features of geomaterial behavior.

42 ENGINEERING↗
DOE OSTI2023

Extension of Argonne’s Plant Dynamics Code (PDC) Capabilities to TerraPower Direct-Cycle Supercritical CO2 (“Pascal”) Nuclear Reactor Concept. Final CRADA report

Argonne National Laboratory (the Contractor) and TerraPower, LLC, (the Participant), entered into a Cooperative Research and Development Agreement (CRADA) to extend the Plant Dynamics Code (PDC) to model the Pascal reactor plant. PDC is the system-level computer code developed at Argonne, primarily for design and transient analysis of supercritical carbon dioxide (sCO2) energy conversion systems for various power plants. Pascal is a supercritical carbon dioxide (sCO2)-cooled direct-cycle nuclear power reactor under development by TerraPower. New features were added to the code to model components and systems specific to the Pascal plant and to make the code readily available as a tool for design, control, and safety analysis for this and other direct-cycle power plants. TerraPower provided design information of the Pascal reactor and the requirements for the development of the new PDC features. Argonne modified the PDC capabilities to introduce the new features.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Investigation of the notch sensitivity of tailorable long fiber discontinuous prepreg composite laminates

Tailorable discontinuous fiber composite laminates provide relative formability beyond that of continuous fiber laminates, while achieving improved mechanical performance over comparable stochastic systems. Here, in this work, the notch sensitivity of engineered prepreg platelet molded composite (PPMC) laminates is investigated using the open-hole tension (OHT) test and compared to available data for stochastic PPMCs and continuous fiber laminates made with the same material. The press-formed thermoplastic composites (AS4/PEKK) were molded with a quasi-isotropic stacking sequence. The discontinuous PPMC laminate was found to be notch insensitive with OHT strengths ranging from 145.4 MPa (CV $=$ 7%) for d/w $=$ 0.5 to 229.3 MPa (CV $=$ 9%) for d/w $=$ 0.25. The highly ordered meso-structure of the engineered PPMC laminate yields comparatively excellent mechanical properties for relatively thin laminates in contrast to stochastic systems. Both net- and gross-section failures were observed for d/w $=$ 0.25, which suggests that the engineered PPMC laminates studied here maintain a degree of inherent, internal stress concentrations that compete with those caused by geometric features such as a circular hole. Computational simulations of the OHT tests with explicitly represented platelets were found to be in good agreement with experimental measurements. The progressive failure analysis was used to conduct a numerical investigation of the stacking sequence and platelet meso-morphology.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Can Common Pool Resource Theory Catalyze Stakeholder-Driven Solutions to the Freshwater Salinization Syndrome?

Freshwater salinity is rising across many regions of the United States as well as globally, a phenomenon called the freshwater salinization syndrome (FSS). The FSS mobilizes organic carbon, nutrients, heavy metals, and other contaminants sequestered in soils and freshwater sediments, alters the structures and functions of soils, streams, and riparian ecosystems, threatens drinking water supplies, and undermines progress toward many of the United Nations Sustainable Development Goals. There is an urgent need to leverage the current understanding of salinization’s causes and consequences–in partnership with engineers, social scientists, policymakers, and other stakeholders–into locally tailored approaches for balancing our nation’s salt budget. In this feature, we propose that the FSS can be understood as a common pool resource problem and explore Nobel Laureate Elinor Ostrom’s social-ecological systems framework as an approach for identifying the conditions under which local actors may work collectively to manage the FSS in the absence of top-down regulatory controls. We adopt as a case study rising sodium concentrations in the Occoquan Reservoir, a critical water supply for up to one million residents in Northern Virginia (USA), to illustrate emerging impacts, underlying causes, possible solutions, and critical research needs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Crystalline Order Yet Glass-Like Heat Transport Driven by Hidden Local Distortions as the Structural Origin of Ultralow Thermal Conductivity in AgErTe 2

Given their rich chemical diversity and the interplay among the p-, d-, and f-orbitals of chalcogens, transition metals, and lanthanides, respectively, rare-earth transition-metal chalcogenides exhibit a wide variety of structural, magnetic, and transport phenomena. As a result, they form a particularly appealing platform for investigating structure–property relationships, emergent electronic and magnetic behaviors, and thermal transport. Here we investigate AgErTe 2 as a model system to understand phonon-glass behavior in ordered crystalline solids, which establishes the design principles for thermal barrier coatings and next-generation thermoelectrics. The local bonding asymmetry and lattice softness suppress the inherently low lattice thermal conductivity, resembling the characteristics of amorphous materials. This suppression is significantly influenced by local off-centering of Ag atoms, which breaks lattice periodicity while maintaining global crystallinity. The presence of antibonding states just below the Fermi level, arising from Ag 4d and Te 5p orbital interactions, leads to lattice softening and destabilizes ideal tetrahedral coordination, resulting in a pseudo Jahn–Teller distortion. Furthermore, the coexistence of weaker, more polarizable Ag–Te bonds and stronger Er–Te bonds creates a complex vibrational landscape enriched with low-frequency modes and enhanced phonon scattering. A pronounced disparity in interatomic force constants gives rise to highly localized, low-energy optical phonons linked to Ag rattling. These flat vibrational modes exhibit strong coupling with transverse acoustic phonons, resulting in ultrashort phonon lifetimes and mean free paths approaching interatomic distances. These features collectively enhance phonon scattering across a broad range of length and energy scales. This work offers a framework for engineering suppressed thermal conductivity in crystalline systems without the introduction of alloying elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Dual heterogeneous structures lead to ultrahigh strength and uniform ductility in a Co-Cr-Ni medium-entropy alloy

Alloys with ultra-high strength and sufficient ductility are highly desired for modern engineering applications but difficult to develop. Here we report that, by a careful controlling alloy composition, thermomechanical process, and microstructural feature, a Co-Cr-Ni-based medium-entropy alloy (MEA) with a dual heterogeneous structure of both matrix and precipitates can be designed to provide an ultra-high tensile strength of 2.2 GPa and uniform elongation of 13% at ambient temperature, properties that are much improved over their counterparts without the heterogeneous structure. Electron microscopy characterizations reveal that the dual heterogeneous structures are composed of a heterogeneous matrix with both coarse grains (10~30 μm) and ultra-fine grains (0.5~2 μm), together with heterogeneous L1 2 -structured nanoprecipitates ranging from several to hundreds of nanometers. The heterogeneous L1 2 nanoprecipitates are fully coherent with the matrix, minimizing the elastic misfit strain of interfaces, relieving the stress concentration during deformation, and playing an active role in enhanced ductility.

36 MATERIALS SCIENCE↗
DOE OSTI2021

CausalFS

SAND2021-4723 O CausalFS is a Python package that evaluates causal relationships between dataset features and the metric to be predicted. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Nguyen, Bernard↗
DOE OSTI2021

HSolo v.1.0

SAND2021-11023 O HSolo is a library for estimating similarity, affine, projective homographies from matches produced by image feature detectors such as SURF and SIFT. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Gonzales, Antonio↗