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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Spark Channel Dynamics of Electrostatic Discharges (Rev. 1) [Slides]

To model spark discharges, this work implemented, verified, and validated: 1-D radial conservative Lagrangian hydrodynamic scheme (with heat conduction); Eddington/P1 radiative transfer approximation, time-implicit scheme; RLC circuit solver, time-implicit scheme (adaptable to other circuit types). Novel analytics EOS fit for air up to temperatures of ~150,000 K. Novel "seed" electron concept to initialize finite conductivity in spark without pre-heating the air in the channel, as typically used in spark modeling literature. Reasonable, if conservative (from an engineering viewpoint), agreement with experimental data for indirect (circuit) and direct (interferometry) measurements of spark. Many potential avenues of future work: Two-temperature dryodynamics (requires two-temperature EOS development); 2-D axisymmetric geometry for axial (z) variation, modeling delectric electrodes; Kinetic equations for time-dependent charged species populations.

42 ENGINEERING↗
DOE OSTI2024

Assessing the release, transport, and retention of radioactive aerosols from hypothetical breaches in spent fuel storage canisters

Interim dry storage of spent nuclear fuel involves storing the fuel in welded stainless-steel canisters. Under certain conditions, the canisters could be subjected to environments that may promote stress corrosion cracking leading to a risk of breach and release of aerosol-sized particulate from the interior of the canister to the external environment through the crack. Research is currently under way by several laboratories to better understand the formation and propagation of stress corrosion cracks, however little work has been done to quantitatively assess the potential aerosol release. The purpose of the present work is to introduce a reliable generic numerical model for prediction of aerosol transport, deposition, and plugging in leak paths similar to stress corrosion cracks, while accounting for potential plugging from particle deposition. The model is dynamic (changing leak path geometry due to plugging) and it relies on the numerical solution of the aerosol transport equation in one dimension using finite differences. The model’s capabilities were also incorporated into a Graphical User Interface (GUI) that was developed to enhance user accessibility. Model validation efforts presented in this paper compare the model’s predictions with recent experimental data from Sandia National Laboratories (SNL) and results available in literature. We expect this model to improve the accuracy of consequence assessments and reduce the uncertainty of radiological consequence estimations in the remote event of a through-wall breach in dry cask storage systems.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Optimization and Evaluation of Energy Savings for Connected and Autonomous Off-Road Vehicles

Off-road vehicles, such as wheel loaders, excavators, and harvesters, are extensively utilized across a wide range of industries, including construction, agriculture, and mining. These machines have become indispensable in supporting the day-to-day operational needs of a nation, playing a critical role in various sectors' infrastructure and productivity. However, despite their utility, off-road vehicles are significant consumers of fossil fuels, resulting in substantial emissions that contribute to environmental degradation. This highlights the pressing need for research and technological advancements aimed at improving their energy efficiency and reducing their carbon footprint. There are, however, two primary challenges that must be addressed to achieve these goals. First, off-road vehicles typically perform both driving and working tasks simultaneously, which introduces a high level of complexity into their overall dynamic systems. Analysis the interactions between these functions is challenging. Second, research into off-road vehicles is inherently interdisciplinary, demanding expertise across several domains such as fluid power systems, vehicle dynamics, control theory, optimization techniques, and real-world implementation. Recognizing these challenges, we proposed the project titled "Optimization and Evaluation of Energy Savings for Connected and Autonomous Off-Road Vehicles" as a comprehensive solution to enhance fuel efficiency while simultaneously improving productivity. This project specifically focuses on autonomous off-road vehicles, with particular attention to wheel loaders, and seeks to develop novel methods to optimize energy consumption without sacrificing operational performance. The project integrates real-time control algorithms, vehicle dynamics modeling, and co-optimization of powertrain system and vehicle system to achieve these goals. Our optimization strategy dynamically co-optimizes critical parameters at both the powertrain and vehicle levels, including vehicle speed, working tool movements, powertrain dynamics, and engine operations in real-time. To streamline this optimization process, we developed a vehicle model that captures the key dynamics while significantly enhancing computational efficiency. This allows the system to intelligently minimize fuel consumption, all while maintaining or even improving productivity through real-time calculations during various off-road operations. To validate the effectiveness of this energy optimization method, we introduced a state-of-the-art Hardware-in-the-Loop (HIL) testbed. This reconfigurable testbed seamlessly integrates the actual engine with virtual models of the wheel loader's subsystems, allowing for accurate emulation of real-world operational loads and environments. By simulating these conditions, the HIL testbed enables us to evaluate the wheel loader’s performance under diverse working scenarios, ensuring the developed solution is applicable in real-world operations. This testbed proved to be instrumental in validating the optimization algorithms and demonstrating the system's practical effectiveness. During the evaluation and testing phase, we employed the HIL testbed to rigorously assess the energy savings and productivity improvements generated by the optimized system. The results were highly encouraging, revealing that the automated wheel loader achieved over 30% fuel savings compared to traditional, human-operated cycles, with comparable or even enhanced levels of productivity. The insights gained from this HIL-based testing provided critical validation of our approach and highlighted the potential for deploying these optimized autonomous technologies in real-world off-road vehicles.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

4D structural changes and pore network model of biomass during pyrolysis

Biochar is an engineered carbon-rich substance used for soil improvement, environmental management, and other diverse applications. To date, the understanding of how biomass affects biochar microstructure has been limited due to the complexity of analysis involved in tracing the changes in the physical structure of biomass as it undergoes thermochemical conversion. In this study, we used synchrotron x-ray micro-tomography to visualize changes in the internal structure of biochar from diverse feedstock (miscanthus straw pellets, wheat straw pellets, oilseed rape straw pellets, and rice husk) during pyrolysis by collecting a sequence of 3D scans at 50 °C intervals during progressive heating from 50 °C to 800 °C. The results show a strong dependence of biochar porosity on feedstock as well as pyrolysis temperature, with observed porosity in the range of 7.41–60.56%. Our results show that the porosity, total surface area, pore volume, and equivalent diameter of the largest pore increases with increasing pyrolysis temperature up to about 550 °C. The most dramatic development of pore structure occurred in the temperature range of 350–450 °C. This understanding is pivotal for optimizing biochar’s properties for specific applications in soil improvement, environmental management, and beyond. By elucidating the nuanced variations in biochar’s physical characteristics across different production temperatures and feedstocks, this research advances the practical application of biochar, offering significant benefits in agricultural, environmental, and engineering contexts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

BETO 2021 Peer Review - Enzyme Engineering and Optimization (EEO)

The FY2020 SOT economic model for the DMR BDO process indicates that the production and use of biomass degrading enzymes represents ~10% of the MFSP of BDO. We are thus working to enhance the performance of the dominant cellulase enzyme, Cel7A. In Fy2018-19, we selected 100 promising genes from the "Cel7A wheel of life" and cloned them into T. reesei using a constitutive promotor. This natural diversity screening resulted in the discovery of several enzymes exhibiting improved characteristics relative to the industry standard Cel7A from T. reesei (Tr). Growth of the transformed host on glucose insured that the Cre1 induced cellulase expression cascade was suppressed, thus enabling purification of the target gene product. The first top performing enzyme found was from P. funiculosum (Pf). Other top performing enzymes were identified from T. aculeatus, T. terrestris, and A. oryzae. Computational modeling predicted the structural subsites responsible for the improvements, which were cloned into the sequence of PfCel7A. The recombinant enzymes were expressed in T. reesei, purified, and tested. Testing was not possible with SOT relevant substrates, so the best-case substrate was used; solids from the DMR process subjected to a novel dilute alkaline wash to remove the "lignin shield." Two chimeric Cel7A enzymes show improved performance (1.2 to 1.35x) relative to PfCel7A, which in turn showed considerable improvement (1.6x) relative to T. reesei Cel7A. These new enzymes have been provided to our industrial partner for evaluation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Innovations in Building Energy Modeling: Research and Development Opportunities for Emerging Technologies

Building energy modeling (BEM) is a multipurpose tool for building energy efficiency (EE). The U.S. Department of Energy Building Technologies Office (BTO) seeks to expand the use and effectiveness of BEM in the design and operation of commercial and residential buildings with the goal of achieving lasting reductions in total and peak energy use. This report identifies gaps and outlines recommended initiatives to achieve this goal, based on a combination of technical analysis and stakeholder input. In addition to BTO, this report can benefit BEM professionals (architects, mechanical engineers, energy consultants, building auditors, equipment manufacturers, and BEM software vendors) and BEM clients (building owners and operators, EE program administrators, EE service providers, policymakers, and policy and code jurisdictions such as states and cities). This report was developed in two phases. In the first, BTO worked with a team from Navigant Consulting (now Guidehouse) to characterize objectives, opportunities, and current activities; identify gaps and barriers; and define initiatives. To collect input, Navigant conducted telephone interviews and workshops with industry experts. The initial phase produced a draft report, which was released for public review in 2016 and yielded over 400 comments. Based on these comments, BTO compiled a second draft report that addressed many of those comments while acknowledging changes that had occurred both at BTO and in the industry. Unlike the first draft report, the second focused much more heavily on BTO’s own role, portfolio, and activities. BTO is a direct player in the BEM field - it funds the development of several significant software packages that are embedded in commercial products - and transparency about its goals and future plans is requisite. BTO recognizes that a great number of other public and private organizations contribute to the BEM enterprise. With the second draft report, BTO did not attempt to produce a blueprint for the industry as a whole, but rather a working document BTO can use to iteratively solicit stakeholder input and synthesize it into a program. BTO released the second draft report for public review in 2019. The second round of review generated 83 pages of feedback and comments - almost exactly the length of the draft report itself - a significant portion of which was collected and synthesized by IBPSA-USA Advocacy Committee. This final report incorporates this feedback. This report does not address the use of BEM in support of building-based grid services, a recent BTO initiative called Grid-interactive Efficient Buildings (GEB). In 2019, BTO published a report that specifically addresses the role of BEM - and other “integration” technologies - in GEB.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

A Multiscale Inelastic Internal State Variable Corrosion Model

We present a corrosion internal state variable (ISV) damage model based upon the integrated computational materials engineering (ICME) hierarchical multiscale paradigm. Structure–property experiments for magnesium alloys were used where the only inputs were the volume fractions of each element of the periodic table. This macroscale ISV corrosion model finds its basis in Horstemeyer’s mechanical damage model, which includes three separate ISVs for damage nucleation, growth, and coalescence, as well as Walton’s inclusion of corrosion, which introduces five new ISVs for pit nucleation, growth, and coalescence, along with general corrosion and intergranular corrosion. While Walton’s corrosion ISVs are phenomenological in nature, herein we develop a multiscale physical basis for the corrosion ISVs. The parameters for the macroscale corrosion ISVs were garnered from the mesoscale Butler–Volmer equations. Pure magnesium with differing amounts of aluminum were used in corrosion tests to exemplify the different pitting, general corrosion, and intergranular corrosion rates, and the macroscale ISV model was calibrated with said data, in which the only inputs to the model are the volume percentages of the elements magnesium and aluminum. Although magnesium alloys were used to motivate and calibrate the model, the model is abstract enough to possibly capture other material systems as well.

Chemistry↗
DOE OSTI2026

Evaluation of a Reduced-Order Model for IBR Fault Response Representation via OEM Blackbox Models: Preprint

Driven by the need to capture the electromagnetic transients of transmission lines, inverter switching behavior, and detailed control systems, electromagnetic transient (EMT) studies have become increasingly important in industry, such as IBR interconnection study and fault study. However, original equipment manufacturer (OEM) inverter models typically include extensive parameters and proprietary settings that are unavailable to protection engineers. This paper introduces a data-driven, reduced-order model (ROM) developed as a PSCAD library component for use in EMT-based fault studies. The ROM replicates key OEM model behaviors without requiring detailed knowledge of control design or parameterization. The accompanying Python automation scripts streamline data generation, parameter fitting, and validation. The ROM's performance is demonstrated through comparison with both IEEE 2800-compliant and non-compliant OEM models in a real-world power system. Relay responses show nearly identical results, while simulation runtime is reduced by an average of 32.8\%, highlighting the ROM's practicality for protection engineers.

14 SOLAR ENERGY↗
DOE OSTI2022

Induced Ferromagnetism in Epitaxial Uranium Dioxide Thin Films

Abstract Actinide materials have various applications that range from nuclear energy to quantum computing. Most current efforts have focused on bulk actinide materials. Tuning functional properties by using strain engineering in epitaxial thin films is largely lacking. Using uranium dioxide (UO 2 ) as a model system, in this work, the authors explore strain engineering in actinide epitaxial thin films and investigate the origin of induced ferromagnetism in an antiferromagnet UO 2 . It is found that UO 2+ x thin films are hypostoichiometric ( x <0) with in‐plane tensile strain, while they are hyperstoichiometric ( x >0) with in‐plane compressive strain. Different from strain engineering in non‐actinide oxide thin films, the epitaxial strain in UO 2 is accommodated by point defects such as vacancies and interstitials due to the low formation energy. Both epitaxial strain and strain relaxation induced point defects such as oxygen/uranium vacancies and oxygen/uranium interstitials can distort magnetic structure and result in magnetic moments. This work reveals the correlation among strain, point defects and ferromagnetism in strain engineered UO 2+ x thin films and the results offer new opportunities to understand the influence of coupled order parameters on the emergent properties of many other actinide thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Relating storm-snow avalanche instabilities to data collected from the Differential Emissivity Imaging Disdrometer (DEID)

Storm-snow avalanches are challenging to forecast due to complex alpine terrain and during rapidly changing weather conditions. They can result in loss of lives and significant economic impact. We describe how a new device that continuously measures with high-frequency snowflake mass, size, density, and type, the Differential Emissivity Imaging Disdrometer (DEID), and show how the DEID can be used to aid avalanche forecasting when coupled with a storm-snow stability model. DEID measurements of snow accumulation, snow water equivalent (SWE), and snow density obtained during seventeen storms taken at the mid-Collins Snow-Study Plot at Alta Ski Area in Utah's Central Wasatch mountain range during winter 2020–2021 show excellent agreement with infrequent manual measurements. Additionally, two new variables, the Shape Density Index (SDI) and Complexity, are proposed and used to classify snowflake habit and estimate storm-snow shear strength. We illustrate how these DEID-derived data can be used to identify layers of concern in the storm snow such as density inversions, in real-time without digging snow pits. Furthermore, the DEID-data are used to run four variations of the SNOw Slope Stability model (SNOSS) for the storms investigated. The results are evaluated with data collected from tilt-board tests, infrasound measurements, and visual observations of avalanches. For a total fourteen storms analyzed, the DEID-driven SNOSS-modeled minimum stability index predicts the general stability of the storm-snow as indicated by observed avalanches, both natural and of unknown cause. Finally, the results provide a promising approach for nowcasting instabilities within storm-snow layers with a single instrument.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Ball-on-ring test validation for equibiaxial flexural strength testing of engineered ceramics

The validation of a ball-on-ring, equibiaxial flexural strength method to obtain the transverse rupture strength (TRS) of right cylindrical ceramic specimens was performed in this study. Validation of the test method was achieved using commercially available engineered high purity alumina disks and finite element (FE) model analysis. The validated fixture was then used to obtain the TRS and Weibull statistical analysis of MgO-partially stabilized zirconia (MSZ) and Y 2 O 3 -partially stabilized zirconia (YSZ) ceramic disks. TRS data for alumina, MSZ, and YSZ agreed with the TRS values reported in the literature. A statistically relevant number of samples (N > 30) for each material were tested to allow for a Weibull statistical analysis. Weibull parameters for these materials were within the expected values for engineered ceramics. The characteristic strength for alumina, MSZ, and YSZ were determined to be 289, 786, and 814 MPa, respectively. The Weibull modulus was determined between 10 and 25 for each material, which is typical of engineered ceramics. In addition, FE model results were in close agreement with experimental fracture values for the three ceramic materials tested in this study.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Octane Requirements of Lean Mixed-Mode Combustion in a Direct-Injection Spark-Ignition Engine

Here, this study investigates the octane requirements of a hybrid flame propagation and controlled autoignition mode referred to as mixed-mode combustion (MMC), which allows for strong control over combustion parameters via a spark-initiated deflagration phase. Due to the throughput limitations associated with both experiments and 3-D computational fluid dynamics calculations, a hybrid 0-D and 1-D modeling methodology was developed, supported by experimental validation data. This modeling approach relied on 1-D, two-zone engine simulations to predict bulk in-cylinder thermodynamic conditions over a range of engine speeds, compression ratios, intake pressures, trapped residual levels, fueling rates, and spark timings. Those predictions were then transferred to a 0-D chemical kinetic model, which was used to evaluate the autoignition behavior of fuels when subjected to temperature–pressure trajectories of interest. Finally, the predicted autoignition phasings were screened relative to the progress of the modeled deflagration-based combustion in order to determine if an operating condition was feasible or infeasible due to knock or stability limits. The combined modeling and experimental results reveal that MMC has an octane requirement similar to modern stoichiometric spark-ignition engines in that fuels with high research octane number (RON) and high octane sensitivity (S) enable higher loads. Experimental trends with varying RON and S were well predicted by the model for 1000 and 1400 rpm, confirming its utility in identifying the compatibility of a fuel’s autoignition behavior with an engine configuration and operating strategy. However, the model was not effective in predicting (nor designed to predict) operability limits due to cycle-to-cycle variations, which experimentally inhibited operation of some fuels at 2000 rpm. Putting the operable limits and efficiency from MMC in the context of a state-of-the-art engine, the MMC showed superior efficiencies over the range investigated, demonstrating the potential to further improve fuel economy.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

A standardized workflow for kinetic metabolic model curation and dissemination

Kinetic metabolic models provide invaluable insights into cellular metabolism, supporting applications in synthetic biology, metabolic engineering, and systems biology. However, reproducibility and utility of these models hinge on clear and rigorous documentation, standardized annotation, and accessible visualization. This paper presents a workflow for building, annotating, visualizing, and sharing kinetic metabolic models. Our method integrates community standards and open-source tools to ensure reproducibility, interoperability, and user accessibility. This procedure enables researchers to produce reusable and well-documented kinetic models, advancing their role as powerful tools in metabolic research.

Cook, Margaret [Univ. of Washington, Seattle, WA (↗
DOE OSTI2020

An integrated computational materials engineering framework to analyze the failure behaviors of carbon fiber reinforced polymer composites for lightweight vehicle applications

A bottom-up multi-scale modeling approach is used to develop an Integrated Computational Materials Engineering (ICME) framework for carbon fiber reinforced polymer (CFRP) composites, which has the potential to reduce development to deployment lead time for structural applications in lightweight vehicles. In this work, we develop and integrate computational models comprising of four size scales to fully describe and characterize three types of CFRP composites. In detail, the properties of the interphase region are determined by an analytical gradient model and molecular dynamics analysis at the nano-scale, which is then incorporated into micro-scale unidirectional (UD) representative volume element (RVE) models to characterize the failure strengths and envelopes of UD CFRP composites. Then, the results are leveraged to propose an elasto-plastic-damage constitutive law for UD composites to study the fiber tows of woven composites as well as the chips of sheet molding compound (SMC) composites. Subsequently, the failure mechanisms and failure strengths of woven and SMC composites are predicted by the meso-scale RVE models. Finally, building upon the models and results from lower scales, we show that a homogenized macro-scale model can capture the mechanical performance of a hat-section-shaped part under four-point bending. Along with the model integration, we will also demonstrate that the computational results are in good agreement with experiments conducted at different scales. The present work illustrates the potential and significance of integrated multi-scale computational modeling tools that can virtually evaluate the performance of CFRP composites and provide design guidance for CFRP composites used in structural applications.

36 MATERIALS SCIENCE↗