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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Synergy of tensile strength and high cycle fatigue properties in a novel additively manufactured Al-Ni-Ti-Zr alloy with a heterogeneous microstructure

Alloy design strategies in additive manufacturing (AM) to achieve grain refinement and terminal eutectic solidification have been introduced to engineer Al alloys having microstructural hierarchy and heterogeneity. Such alloy design strategies enable crack-free builds with an expanded AM processing window and pushed the strength limit in Al alloys. However, fatigue performance of Al alloys made by AM is restricted by the presence of process induced defects and its stochasticity. In this work, tensile and high cycle fatigue (HCF) behavior of a novel Al-Ni-Ti-Zr alloy with a heterogeneous microstructure is studied in the as-built condition, supplemented by detailed microstructural and mechanical characterization. Excellent strength-ductility synergy of 342 MPa and 16% failure strain achieved in the alloy was associated with the microstructural attributes that pertain to the novel alloy. Additionally, the alloy showed excellent HCF performance with a fatigue endurance limit to ultimate tensile strength ratio of 0.29 in flexural fatigue mode. The study revealed the existence of multiple crack retardation mechanisms and favorable crack propagation pathways through the fine-grained regions which enabled good fatigue performance to the alloy. Further, a probabilistic model has been used to estimate the fatigue life of the alloy as a function of the stochastic microstructure by utilizing the statistical distribution of pores, solid-state inclusions, and grains in the AM Al alloy. Finally, the model parametric trends are consistent with the experimental observations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Electrochemistry in the Large Tunnels of Lithium Postspinel Compounds

Lithium spinels (Li MM 'O 4 ) are an important class of mixed-cation materials that have found uses in batteries, catalysis, and optics. Postspinels are a series of related framework structures with the AMM 'O 4 host composition that are formed with larger A -site cations, typically under high pressure. Postspinels have one-dimensional tunnel structures with pores that are larger than those in spinel and triangular in cross-section, but they are relatively unexplored as intercalation electrodes. While lithium postspinels have been previously found to be thermodynamically stable only at high pressures, we have identified a synthetic pathway that produces the lithium-containing materials at ambient pressure using an ion-exchange process from the corresponding sodium postspinels. Here, in this work, we report the synthesis and a survey of the electrochemical properties of 10 new lithium CaFe 2 O 4 -type postspinel compounds where M = Mn 3+ , V 3+ , Cr 3+ , Rh 3+ , Fe 2+ , Mg 2+ , Co 2+ and M ' = Ti 4+ and/or Sn 4+ . Although complete delithiation is not achieved during electrochemical cycling, many of the lithium postspinels have substantial charge storage capacity in Li battery cells owing to the ability of the large framework tunnels to accommodate more than one lithium ion per formula unit. Multiple redox couples are accessed for LiMnSnO 4 , Li 0.96 Mn 0.96 Sn 1.04-x Ti x O 4 , Li 0.96 V 0.96 Ti 1.04 O 4 , Li 0.96 Cr 0.96 Ti 1.04 O 4 , and LiFe 0.5 Ti 1.5 O 4 . Compositions with moderate or poor lithium cyclability are also discussed for comparison. Redox mechanisms and trends are identified by comparing this new redox-active framework to related spinels, ramsdellites, and 'Na 0.44 MnO 2 ' structures, and from density functional theory (DFT) electronic structures. Operando diffraction shows complex structural responses to lithium insertion and extraction in this postspinel framework. A DFT framework was proposed to identify promising lithium postspinel phases that could be accessed metastably under ambient pressure conditions and to assess their stability to lithium insertion and extraction. This work suggests that CaFe 2 O 4 -type hosts are a promising new class of lithium-ion energy storage materials.

25 ENERGY STORAGE↗
DOE OSTI2023

ABF Past Accomplishments - TEA/LCA

The Integrated Analysis task in the Agile BioFoundry (ABF) conducts techno-economic analysis (TEA) and life cycle assessment (LCA) to quantify the economics and environmental impacts of bioprocesses under development. The team from Argonne National Laboratory (ANL) and the National Renewable Energy Laboratory (NREL) develops TEA and LCA models of selected compound targets and hosts of interest to the ABF in an effort to provide an analysis-based foundation to the R&D. To date, the Integrated Analysis task has performed process modeling and analyses on multiple pairings of bioproducts and hosts, centered around major metabolic "beachheads" and "exemplar" molecules chosen for each of the metabolic pathways of interest. This presentation provides an overview of the approach used for TEA and LCA in the ABF and of the progress, outcomes, and impacts of TEA and LCA to support ABF goals, with a focus towards developing bio-based products that are both environmentally and economically viable.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗
DOE OSTI2023

Simulation of the NuScale SMR and Investigation of the Effect of Load-Following on Component Lifetimes

The NuScale SMR has been modelled using the Virtual Environment for Reactor Applications (VERA) multiphysics environment and the results compared with the publicly reported data in the Design Certification Application (DCA). The results show an excellent agreement for the compared axial and radial power distributions, temperature coefficients of reactivity, boron and control rod worths, and fast neutron flux. This NuScale model is then used to investigate the effect of different operational modes on reactor components to determine how flexible load-following operation may affect control rod and reactor pressure vessel (RPV) lifetimes. The control rod degradation is confirmed to primarily affect the silver-indium-cadmium (AIC) rod tip. The degradation rate is observed to follow a non-linear function of core power level where the increase in degradation decreases with insertion depth. For the variation in core power levels expected with current load-following schemes, the total control rod degradation is found to be mild, at 5-10% of usable life per cycle for a reactor operating at <80% power. Nonetheless, this enables load following strategies to be confirmed and/or modified to ensure that control rods do not need to be replaced during the 60+ year life of the reactor. The RPV degradation was found to be almost directly proportional to the core power level and was not overly sensitive to flux shape perturbations. Future work is planned using these damage functions to optimize operation over multiple NuScale SMR units and develop strategies for prognostics and health management.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Feature engineering for machine learning enabled early prediction of battery lifetime

Accurate battery lifetime estimates enable accelerated design of novel battery materials and determination of optimal use protocols for longevity in deployments. Unfortunately, traditional battery testing may take years to reach thousands of cycles. Recent studies have shown that machine learning (ML) tools can predict lithium-ion battery lifetimes from 100 or fewer preliminary cycles, representing only a few weeks of cycling. Until now, conclusions about the efficacy and broad applicability of these predictions across a variety of cathode chemistries have been limited by available experimental information. In this work, we leverage a battery cycling dataset representing six cathode chemistries (NMC111, NMC532, NMC622, NMC811, HE5050, and 5Vspinel), multiple electrolyte/anode compositions, and 300 total carefully prepared pouch batteries to explore feature selection and battery chemistry's role in ML battery lifetime predictions. Here, a mean absolute error (MAE) of 78 cycles in prediction was seen for a chemistry-spanning test set from 100 preliminary cycles. Furthermore, an MAE of 103 cycles was seen when using only the first cycle. This study represents an in-depth investigation of strategies for feature selection for battery lifetime prediction, ML models' generalization across multiple battery chemistries, and predictions beyond the training set in the chemical space.

25 ENERGY STORAGE↗
DOE OSTI2025

Simulated effect of defect volume and location on very high cycle fatigue of laser beam powder bed fused AlSi10Mg

This study quantifies the interaction between volumetric defect location and size on the very high cycle fatigue (VHCF) of laser beam powder bed fused (LB-PBF) AlSi10Mg. Crystal plasticity finite element method (CPFEM) simulations were used to investigate the effects of defect location and size on the driving force for crack initiation. The CPFEM model was calibrated against uniaxial and cyclic experimental data of LB-PBF AlSi10Mg. Defect characteristics were informed by experimental data from the specimens produced in various geometries to create realistic representative volume elements (RVEs) with equivalent volume fractions of defects. By embedding defects of varying sizes and locations within the RVEs, fatigue indicator parameters (FIPs) were calculated to analyze the impact of defects’ characteristics on fatigue performance. Different combinations of defect volume and locations were generated for various microstructure instantiations, providing insight into extreme value fatigue responses. Larger defect volumes located on free surfaces consistently generated the highest FIPs, suggesting defect size and boundary proximity intensify stress concentration effects. RVEs with multiple smaller defects produced lower FIPs than those with single large critical defects. These findings underscore the critical role of defect characteristics on fatigue life, providing a foundation for future predictive modeling in fatigue-sensitive AM applications.

AlSi10Mg↗
DOE OSTI2023

Inhibition of nitrous oxide reduction in forest soil microcosms by different forms of methanobactin

Copper plays a critical role in controlling greenhouse gas emissions as it is a key component of the particulate methane monooxygenase and nitrous oxide reductase. Some methanotrophs excrete methanobactin (MB) that has an extremely high copper affinity. As a result, MB may limit the ability of other microbes to gather copper, thereby decreasing their activity as well as impacting microbial community composition. Here, we show using forest soil microcosms that multiple forms of MB; MB from Methylosinus trichosporium OB3b (MB-OB3b) and MB from Methylocystis sp. strain SB2 (MB-SB2) increased nitrous oxide (N 2 O) production as well caused significant shifts in microbial community composition. Such effects, however, were mediated by the amount of copper in the soils, with low-copper soil microcosms showing the strongest response to MB. Furthermore, MB-SB2 had a stronger effect, likely due to its higher affinity for copper. The presence of either form of MB also inhibited nitrite reduction and generally increased the presence of genes encoding for the iron-containing nitrite reductase (nirS) over the copper-dependent nitrite reductase (nirK). Lastly, these data indicate the methanotrophic-mediated production of MB can significantly impact multiple steps of denitrification, as well as have broad effects on microbial community composition of forest soils.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Psb27, a photosystem II assembly protein, enables quenching of excess light energy during its participation in the PSII lifecycle

Photosystem II (PSII), the enzyme responsible for oxidizing water into molecular oxygen, undergoes a complex lifecycle during which multiple assembly proteins transiently bind to and depart from PSII assembly intermediate complexes. Psb27 is one such protein. It associates with the CP43 chlorophyll-binding subunit of PSII to form a Psb27-PSII sub-complex that constitutes 7–10% of the total PSII pool. Psb27 remains bound to PSII assembly intermediates and dissociates prior to the formation of fully functional PSII. In this study, we compared a series of Psb27 mutant strains in the cyanobacterium Synechocystis sp. PCC 6803 with varied expression levels of Psb27: wild type (WT); psb27 genetic deletion (Del27), genetically complemented psb27 (Com27); and over-expressed Psb27 (OE27). The Del27 strain demonstrated decreased non-photochemical fluorescence quenching, while the OE27 strain showed increased non-photochemical quenching and tolerance to fluctuating light conditions. Multiple flashes and fluorescence decay analysis indicated that OE27 has the least affected maximum PSII quantum yield of the mutants. OE27 also displayed a minimal impact on the half-life of the fast component of QA – reoxidation over multiple flashes, indicating robust PSII function. Further, we propose that the close association between Psb27 and CP43, and the absence of a fully functional manganese cluster in the Psb27-PSII complex create a PSII sub-population that dissipates excitation energy prior to its recruitment into the functional PSII pool. Efficient energy dissipation prevents damage to this pre-PSII pool and allows for efficient PSII repair and maturation. Participation of Psb27 in the PSII life cycle ensures high-quality PSII assembly.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Thermal Assessment and In-Situ Monitoring of Insulated Gate Bipolar Transistors in Power Electronic Modules: Preprint

Insulated gate bipolar transistor (IGBT) power modules are devices commonly used for switching of high voltages and currents. Usage and environmental conditions can cause these power modules to degrade over time, and this gradual process may eventually lead to catastrophic failure of the device. This degradation process may cause some early performance symptoms related to the state of health of the power module, making it possible to detect reliability degradation of the IGBT module. Testing can be used to accelerate this process, permitting a rapid determination of whether specific declines in device reliability can be characterized. In this study, thermal cycling was conducted on multiple power modules simultaneously in order to assess the effect of thermal cycling on the degradation of the power module. In-situ monitoring of temperature was performed from inside each power module using high temperature thermocouples. Device imaging and characterization was performed along with temperature data analysis, to assess failure modes and mechanisms within the power modules. While the experiment was aimed to assess the potential damage effects of thermal cycling on die attach, results indicated that wirebond degradation was the life limiting failure mechanism.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Importance of different parameterization changes for the updated dust cycle modeling in the Community Atmosphere Model (version 6.1)

Abstract. The Community Atmosphere Model (CAM6.1), the atmospheric component of the Community Earth System Model (CESM; version 2.1), simulates the life cycle (emission, transport, and deposition) of mineral dust and its interactions with physio-chemical components to quantify the impacts of dust on climate and the Earth system. The accuracy of such quantifications relies on how well dust-related processes are represented in the model. Here we update the parameterizations for the dust module, including those on the dust emission scheme, the aerosol dry deposition scheme, the size distribution of transported dust, and the treatment of dust particle shape. Multiple simulations were undertaken to evaluate the model performance against diverse observations, and to understand how each update alters the modeled dust cycle and the simulated dust direct radiative effect. The model–observation comparisons suggest that substantially improved model representations of the dust cycle are achieved primarily through the new more physically-based dust emission scheme. In comparison, the other modifications induced small changes to the modeled dust cycle and model–observation comparisons, except the size distribution of dust in the coarse mode, which can be even more influential than that of replacing the dust emission scheme. We highlight which changes introduced here are important for which regions, shedding light on further dust model developments required for more accurately estimating interactions between dust and climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Fiberboard Properties and Degradation Rates for Storage of 9975 Shipping Package in KAC (2020 Status Report)

Savannah River Site (SRS) stores plutonium materials within model 9975 shipping packages in the K-Area Complex (KAC). The 9975 shipping package consists of a 35 gallon stainless steel drum, Celotex fiberboard insulation, lead shield, and primary and secondary containment vessels. The 9975 shipping package design, performance, and analysis for safe transport of radioactive material are described in the Safety Analysis Report for Packaging (SARP). Celotex fiberboard provides three safety functions: thermal insulation to limit internal temperature during a fire, criticality control, and resistance to package crushing. The fiberboard material must retain its dimensions and density within certain ranges to provide the required impact resistance, criticality control, and fire resistance. The SRS Surveillance Program monitors material performance to establish a basis for service life and ensures the continued integrity of 9975 packages. Fiberboard samples, taken from multiple fiberboard assemblies fabricated from cane and softwood fiberboard, have been conditioning in elevated temperature environments since 2005. The samples are periodically examined to monitor thermal, mechanical, and physical properties, and assess degradation trends. Fiberboard properties of interest that are evaluated to demonstrate acceptable long-term performance include dimensional stability, density, compressive strength, thermal conductivity, and specific heat capacity. Duplicate samples from multiple package sources have been tested to identify the range of variability in fiberboard properties and degradation rates. Baseline and long-term testing of fiberboard material properties have been reported previously; reference 6 summarized experimental results of cane and softwood fiberboard through May 2019 and presented degradation models for the measured properties. This report presents the cumulative data collected through June 2020 and the corresponding updated aging models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

A Moist Potential Vorticity Model for Midlatitude Long-Lived Mesoscale Convective Systems over Land

Mesoscale convective systems (MCSs) bring large amounts of rainfall and strong wind gusts to the midlatitude land regions, with significant impacts on local weather and hydrologic cycle. However, weather and climate models face a huge challenge in accurately modeling the MCS life cycle and the associated precipitation, highlighting an urgent need for a better understanding of the underlying mechanisms of MCS initiation and propagation. From a theoretical perspective, a suitable model to capture the realistic properties of MCSs and isolate the bare-bones mechanisms for their initiation, intensification, and eastward propagation is still lacking. To simulate midlatitude MCSs over land, we develop a simple moist potential vorticity (PV) model that readily describes the interactions among PV perturbations, air moisture, and soil moisture. Multiple experiments with or without various environmental factors and external forcing are used to investigate their impacts on MCS dynamics and mesoscale circulation vertical structures. The result shows that mechanical forcing can induce lower-level updraft and cooling, providing favorable conditions for MCS initiation. A positive feedback among surface winds, evaporation rate, and air moisture similar to the wind-induced surface heat exchange over tropical ocean is found to support MCS intensification. Both background surface westerlies and vertical westerly wind shear are shown to provide favorable conditions for the eastward propagation of MCSs. Last, our result highlights the crucial role of stratiform heating in shaping mesoscale circulation response. In conclusion, the model should serve as a useful tool for understanding the fundamental mechanisms of MCS dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Evaluating U.S. Natural Gas Environmental Performance

This work summarizes the U.S. Department of Energy National Energy Technology Laboratory's (NETL) modeling and analysis of natural gas environmental performance. Over the past year, NETL updated its U.S. natural gas supply chain life cycle baseline model to incorporate 2020 data, regionalize the transmission and distribution network into six regions, incorporate improved gathering and boosting stage and distribution stage emissions factors, and assign environmental burdens among the various co-products (i.e., crude oil, natural gas liquids, natural gas) of the natural gas supply chain. The updated natural gas model helps generate more comprehensive and regionalized natural gas profiles, mapping production basins to the relevant transmission and distribution regions downstream. The work incorporates data from multiple peer reviewed measurement-based studies to achieve the objective of providing a comprehensive understanding of emissions from the U.S. natural gas supply chain. This presentation also explores future work by NETL to develop a platform that enables stakeholders to customize key parameters within the natural gas LCA model and observe the corresponding effects on the carbon intensity of the overall supply chain. The platform aims to offer a convenient method for stakeholders to obtain relevant insights from the updated model, without diving deep into the intricacies of the NETL natural gas model with hundreds of parameters and linkages.

Khutal, Harshvardhan↗
DOE OSTI2023

Scanning Mobility Particle Sizer (SMPS)-Aerodynamic Particle Sizer (APS) Merged Size Distribution (mergedsmpsaps) Value-Added Product Report

Aerosol particles influence the Earth’s radiation balance directly by absorbing and scattering light and indirectly by influencing cloud formation, properties, and lifetimes. Measurements of aerosol particle optical properties, mass loading, size distributions, microphysical properties, cloud formation properties, and chemical composition are important for understanding the aerosol life cycle and for validating earth system models that predict these quantities. The Atmospheric Radiation Measurement (ARM) user facility’s Aerosol Observing System (AOS) is a highly instrumented platform designed to house instruments that measure many of these aerosol properties in situ. Currently, ARM operates at least four different instruments that measure a portion of the ambient aerosol size distribution. Most users are interested in the entire size distribution or a portion of the size distribution that extends across the measurement range of multiple instruments. However, merging these distributions is not trivial as the instruments employ different measurement principals and, in most cases, report data as a function of different representations of the aerosol diameter.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

In Search of Strategic Advantage: Understanding the Landscape of Technology Competition

In an era of seemingly ever-increasing global tensions, technology competition is often mentioned as a pathway for U.S. and allied success. The opening arguments are often very simple. “This is the most important struggle of the 21st century.” “We cannot afford to lose this competition.” “The United States must not fall behind in this race.” “We must be faster, more agile, more committed, more thoughtful than our competitors.” Competition around a particular technology is described as a once in a generational struggle with immense stakes. “This is a Sputnik moment” is a common analogy. The solutions proposed are fairly straightforward – more of everything. We should spend more money. We should build more widgets or more factories. We should innovate more. We should focus more. We should attract more talent. We should file more patents. We should produce more PhDs. If we do more of everything, we will have more technology than our opponents, they will see our technological advantage, they will not challenge us, and therefore we will win. If we fail to do these things, we will lose. To paraphrase Homer Simpson, in national security policy discussions technology competition has become the cause of, and solution to, all of life’s problems. And yet, beyond doing more across the board technology competition is not at all simple. First, it is a concept increasingly muddled together with other big issues such as innovation policy, national defense strategy, great power competition, allied cooperation, public-private partnerships, and a host of other issues. Certain policies, systems, coalitions, and so on may be excellent for tackling one challenge, but far less optional for others. Second, it is inherently dynamic, an action-reaction cycle between multiple players. A brilliant opening move can be squandered or successfully countered in subsequent moves. Third, there are limits to what you can do - limited time, limited financial resources, limited human capital, and limited knowledge of what lies ahead. One is forced to choose.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Battery aging mode identification across NMC compositions and designs using machine learning

A comprehensive understanding of lithium-ion battery (LiB) lifespan is the key to designing durable batteries and optimizing use protocols. Although battery lifetime prediction methods are flourishing, diagnosis of the root causes of aging and degradation have not yet been well developed nor studied for a broad mixture of designs and use cases. Here, we create a machine-learning (ML)-based framework that distinguishes aging modes using multiple electrochemical signatures recorded cycle-by-cycle. The predominant aging behaviors include a combination of loss of active materials in cathode (LAMPE) and a loss of Li inventory (LLI) in Li plating or solid electrolyte interphase (SEI) formation, manifested from 44 batteries representing two cathode chemistries, two electrode loadings, and five charging rates. Here, the aging mode classification accuracy is 86% using features within the first 50 cycles and increases to 88% beyond 225 cycles. The same features can quantify the percentage of end-of-life LAMPE with only 4.3% of error.

25 ENERGY STORAGE↗
DOE OSTI2020

Dynamics of Global Gene Expression and Regulatory Elements in Growing Brachypodium Root System

Root systems are dynamic and adaptable organs that play critical roles in plant development. However, how roots grow and accumulate biomass during plant life cycle and in relation to shoot growth phenology remains understudied. A comprehensive time-dependent root morphological analysis integrated with molecular signatures is then required to advance our understanding of root growth and development. Here we studied Brachypodium distachyon rooting process by monitoring root morphology, biomass production, and C/N ratios during developmental stages. To provide insight into gene regulation that accompanies root growth, we generated comprehensive transcript profiles of Brachypodium whole-root system at four developmental stages. Our data analysis revealed that multiple biological processes including trehalose metabolism and various families of transcription factors (TFs) were differentially expressed in root system during plant development. In particular, the AUX/IAA, ERFs, WRKY, NAC, and MADS TF family members were upregulated as plant entered the booting/heading stage, while ARFs and GRFs were downregulated suggesting these TF families as important factors involved in specific phases of rooting, and possibly in regulation of transition to plant reproductive stages. We identified several Brachypodium candidate root biomass-promoting genes and cis -regulatory elements for further functional validations and root growth improvements in grasses.

59 BASIC BIOLOGICAL SCIENCES↗