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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Volumetric analysis and mesh generation of real and artificial microstructural geometries

Producing a viable finite element mesh of realistic microstructural structural geometry is a critical step in analyzing the thermo-mechanical behavior of complex multi-material composites. Advancements in imaging technology such as micro computed tomography have allowed modelers to access high resolution mesoscale geometries for direct numerical simulation. However, converting from voxel based 3D images to usable finite element meshes has been challenging. A robust method including algorithms and software scripts for generating finite element meshes from 3D imaged microstructures is presented in this paper. It includes a routine for inserting cohesive elements around material interfaces to enable modeling of interface properties including delamination and damage. The algorithms and procedures presented in this method leverage currently available software packages for processing surface based geometry into volume based meshes. In addition to converting real geometry from physical imaging systems, algorithms for producing numerically generated and statistically equivalent microstructural geometry are also included. These artificial microstructures can be a valuable resource for modelers when physical specimens do not exist or are limited in quantity: Method establishes a workflow from voxel data to viable finite element mesh including interface information, and Includes a method for synthetic geometry generation based on metrics from real microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Rapid Simulation of Unconventional Reservoirs by Multidomain Multiresolution Modeling Based on the Diffusive Time of Flight

Summary The fast marching method (FMM)-based rapid flow simulation has been shown to accelerate simulation efficiency by orders of magnitude by transforming 3D simulation to equivalent 1D simulation using the concept of the “diffusive time of flight” (DTOF). However, the 1D transformation does not directly apply to multiwell problems. In this paper, we propose a novel DTOF-based multidomain multiresolution discretization scheme to accelerate multiwell simulation of unconventional reservoirs. Our method formulates multiwell simulation problems based on the DTOF which displays the pressure front propagation in unconventional reservoirs. The DTOF contours are used to partition the reservoir into local and shared domains. A local domain is where the flow is dominated by a single well, and the shared domain is where the fluid flow is influenced by multiple wells. The DTOF contours expand independently in local domains and interfere in the shared domain. After the partitioning, each domain is discretized using a multiresolution scheme whereby the original 3D fine mesh is preserved near the wells to account for detailed physics including gravity, and the rest of the domain is discretized into 1D mesh based on the DTOF contours to alleviate the simulation workload. The power and efficacy of our approach are demonstrated using synthetic and field-scale simulation models with different degrees of geologic and well-completion complexity. The simulation results, number of active cells, and computation time for the proposed discretization scheme are compared with the original high-fidelity 3D model for each case. The results show that the proposed method is suitable for multiwell simulation problems in unconventional reservoirs and can accelerate flow simulations by orders of magnitude with minimal loss of accuracy. The novelty of this work is the creation of DTOF-derived multiresolution discretization with local and shared domains to simplify and accelerate the calculation of subsurface flow problems, especially in unconventional reservoirs. Our workflow can be easily interfaced with commercial simulators, making it suitable for large-scale field applications.

Engineering↗
DOE OSTI2021

Rapid prediction of fuel research octane number and octane sensitivity using the AFIDA constant-volume combustion chamber

Current research octane number (RON) and motor octane number (MON) gasoline performance characterization techniques use dated, complex engine testing methodology and limit researchers’ ability to easily characterize small volumes of experimental fuels. A novel methodology is presented that correlates measured ignition delay (ID) time to RON in an Advanced Fuel Ignition Delay Analyzer (AFIDA) constant-volume combustion chamber device at a single pressure/temperature condition, with an r2 of 0.99 and standard error (SE) of 1.0. The correlation of the slope of the ID time between two additional temperature points to octane sensitivity (S) produces an r2 of 0.97 and SE of 0.69; however, fuels with S>12 are indistinguishable. These results are based on methodology calibration using 31 primary and toluene reference fuels containing 0%-40% ethanol with RON values ranging from 85 to 113. Validation of these methods using a 102-sample fuel matrix spanning an array of base fuels and additive chemistry designed to test the robust applicability of the method, along with pump gasoline and high-octane surrogate blend samples, demonstrates an r2 of 0.94 and SE of 1.3 for the RON correlation over all samples, whereas the equivalent S correlation produces an r2 of 0.78 and SE of 1.2 by excluding two additives, 3-pentanone and diisobutylene, which displayed poor S correlation results. This novel AFIDA analysis method can be performed in 1 h and with 40 mL of fuel, offering significant improvements in time and volume requirements over traditional techniques.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Sustainable bioleaching of lithium-ion batteries for critical materials recovery

The demand for lithium-ion batteries (LIBs) has increased substantially over the last few decades due to their longer lifetime, greater resistance to self-discharge, and higher output voltage compared to other battery types. With the global trend of electrifying vehicle fleets, the number of LIBs reaching their end-of-life (EOL) is expected to grow substantially in the next decade. These EOL LIBs represent a significant secondary source of materials (e.g., Li, Co, Ni, Mn) that can be recovered and reused in LIBs or other products. In this study, we developed a bioleaching process that could recover critical materials from EOL LIBs in an economical and environmentally sustainable manner under industrially relevant conditions. Black mass, i.e., cathode-containing powder, prepared from EOL LIBs was leached using a biolixiviant produced from corn stover by Gluconobacter oxydans bacteria. Iron(II) was used as a reducing agent to promote metal dissolution. Techno-economic analysis (TEA) estimated a potential average profit margin of 21% for processing 10,000 t of black mass per year, which represents approximately 30% of the available black mass in the US in 2020. Life cycle assessment (LCA) demonstrated that bioleaching of spent LIBs could be more environmentally sustainable than alternative hydrometallurgical recovery methods such as hydrochloric acid leaching (16-19 kg vs. 43-91 kg CO 2 equivalent global warming potential per kg of recovered cobalt). The TEA results are highly dependent on the cost of black mass production, which varies by EOL LIB collection and transportation costs. Finally, emerging technologies for deactivating used LIBs for fire safety at collection centers will allow the transport of EOL LIBs as non-hazardous materials, lower the cost of preparing black mass and thereby increase economic prospects for EOL LIBs recycling using this approach.

25 ENERGY STORAGE↗
DOE OSTI2024

Solving differential‐algebraic equations in power system dynamic analysis with quantum computing

Abstract Power system dynamics are generally modeled by high dimensional non‐linear differential‐algebraic equations (DAEs) given a large number of components forming the network. These DAEs' complexity can grow exponentially due to the increasing penetration of distributed energy resources, whereas their computation time becomes sensitive due to the increasing interconnection of the power grid with other energy systems. This paper demonstrates the use of quantum computing algorithms to solve DAEs for power system dynamic analysis. We leverage a symbolic programming framework to equivalently convert the power system's DAEs into ordinary differential equations (ODEs) using index reduction methods and then encode their data into qubits using amplitude encoding. The system non‐linearity is captured by Hamiltonian simulation with truncated Taylor expansion so that state variables can be updated by a quantum linear equation solver. Our results show that quantum computing can solve the power system's DAEs accurately with a computational complexity polynomial in the logarithm of the system dimension. We also illustrate the use of recent advanced tools in scientific machine learning for implementing complex computing concepts, that is, Taylor expansion, DAEs/ODEs transformation, and quantum computing solver with abstract representation for power engineering applications.

computational complexity↗
DOE OSTI2022

Solid Phase Processing of Lead-Free Brass with Carbon Additives

Currently, “lead-free” brass alloys (like C27450/C27451/C6930), used extensively in drinking water fixtures and automotive, electrical, and electronic applications contain maximum 0.25% lead to maintain mechanical performance and machinability. Adding graphite to brass as an alternative to lead, using casting, powder metallurgy, and extrusion methods, has been explored previously. However, all these methods have proven to be energy-, time-, and resource-intensive, while not enabling performance equivalent to that of C36000 brass. In this project, we developed a one-step approach using friction extrusion and ShAPE to make lead-free brass/graphite components such as wires, rods and tubes with mechanical performance equivalent to commercial lead-free brass alloys. Manufacturing temperatures were maintained ~550-730 °C with feed rates ranging between 4 – 25 mm/min. Results show larger grains at the center of the rods and wires with smaller grains developing at the edges. Graphite particles were sheared in the direction of extrusion with higher strains observed towards the edges. Hardness of the brass/graphite samples was over 25% higher than that of the corresponding brass-only samples (rods and wires), also friction extruded. Our results show that the sub-micron graphite plays an important role in limiting process temperature and restraining grain growth during friction extrusion, thus reducing grain size in composites.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Proposed Analytical Methods for Determining Filter Media Properties

High Efficiency Particulate Air (HEPA) filters, commonly used in nuclear filtration applications, are an integral part of the waste management processes in nuclear plants. HEPA filters are 99.97% efficient filtration devices characterized by their high resistance to air flow, or pressure drop. From theoretical models, the initial pressure drop across a clean filter is proven to be a function of the filter media fiber diameters and porosity of the media. These filter properties are relatively difficult to obtain with traditional manual methods; therefore, there is a need to develop analytical methods to find the fiber diameter and porosity to determine the pressure drop. Typically, these values can be found by substituting a calculated representative value based upon measured values, such as equivalent fiber diameter based upon a clean pressure drop. However, these values may also be directly recorded and measured by incorporating Scanning Electron Microscope (SEM) image analysis and other measurement methods to analyze the filter media and determine its physical properties without the need for media testing. DiameterJ, an open source Java plug-in, used with ImageJ, can process images of filter media taken by an SEM to find statistical data such as mean fiber diameter and porosity. To produce the raw data, SEM images of two filter media type samples are taken and segmented in DiameterJ using the traditional and statistical region merging segmentation algorithms. Manual segmentation is necessary after the initial segmentation by the algorithms as the images tend to be too complex for the algorithms to output with the necessary accuracy. However, complications exist in the manual segmentation process as these methods can be time intensive and prone to the individual bias of the user. This in turn can skew the final mean fiber diameter result, and lead to either an over or under prediction of the pressure drop. It was also discovered that the porosity data produced by DiameterJ is inaccurate, as the SEM analyzes the three-dimensional filter media by projecting its geometry onto a plane and analyzing it as a two-dimensional binary image. Thus, the porosity is artificially inflated through the segmentation process, rendering this result incorrect. Alternatively, density determination, gravimetric analysis, and thickness testing of the filter media is collectively used to determine the filter fiber porosity. Together, the SEM image analysis and analytical lab methods produce results through direct measurements which allow for the prediction of the initial pressure drop from clean filter media without the need for prior media testing to collect pressure data. By improving upon this proposed analytical method in the future, there is potential to streamline the process of finding these filter properties into a more direct methodology for determining the pressure drop across HEPA filters.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Comparison of Infiltration Test Methods for Soil Health Assessment

Infiltration rate (IR) has been commonly used as a metric to evaluate soil quality and health. For the USDA Soil Quality Test Kit, a 15-cm (6-in) diameter (ID) cylinder is used to measure IR with 444 cm 3 (equivalent to 2.54 cm or 1 in) of water while other standard IR procedures require substantially larger volumes of water. The general objective of this study was to compare different methods for IR measurement. Using three replications, IR measurements were conducted along a 9-m (27-ft) long transect in two different soil types by the double-ring infiltrometer (DRI) using 25- and 50-cm (10-and 20-in, respectively) cylinders, single-ring infiltrometer (SRI) using 25- and 50-cm cylinders, Cornell sprinkle infiltrometer (CSI) using a 24.1-cm (9.5-in) cylinder, the USDA recommended procedure using a 15-cm diameter cylinder (hereafter referred to as USDA-15 method), and a modified USDA method using a 24.1-cm diameter cylinder. Although the USDA-15 method is simple and requires a small amount of water, based on high variability among replications and significant reduction in IR during early stages of water entry into the soil, the procedure does not offer an accurate estimate of the soil infiltration potential. The CSI procedure was reproducible, but it is more cumbersome to perform than other methods. The DRI, SRI, and CSI methods required a much greater volume of water than the USDA-15 method but produced results that are more consistent. The most consistent results were obtained by the CSI and DRI methods. The modified USDA method results were similar to the SRI method and were an improvement over the original USDA-15 method. For assessing soil health, additional investigations should be conducted to evaluate a modified version of the USDA procedure using a larger cylinder.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Resource Assessment for Distributed Wind Energy: An Evaluation of Best-Practice Methods in the Continental US

Current wind resources within the United States (US) indicate a potential to profitably install nearly 1,400 gigawatts of distributed wind (DW) capacity. This amount is equivalent to over half of the United States’ current energy demand from electricity, making it enough to power millions of homes and businesses and replace countless fossil fuel-based generating plants. Despite the potential growth of DW in the US, deployments are presently hindered by a lack of confidence in resource estimation methods. One potential challenge is that smaller-scale turbines, with hub heights of 40 meters or less, are disproportionately impacted by obstacles such as buildings and vegetation. These obstacles may produce complex wake effects, best modeled with high-fidelity complex fluid dynamics (CFD) models that are too computationally expensive to use for routine siting and resource assessment. Thus, installers today make use of heuristics and simple equations to approximate the impact of obstacles while also leveraging long-term resource data from commercial or publicly available atmospheric models. This study evaluates these historical and commonly used methods alongside new lower-order obstacle models produced from CFD simulations and measurement-based bias correction. The preliminary results from this study show the importance of taking care in the choice and application of mesoscale atmospheric models and the significant value of bias correction using measurements from nearby meteorological towers. Detailed obstacle modeling provides only modest additional gains in performance and, in some cases, can add error, especially at sites where turbines have already been located to avoid obvious impact from upwind obstacles. These findings reinforce the importance of collecting in situ measurements and suggest that obstacle models may be better applied in practice to automated or computer-aided siting, rather than in economic wind resource assessments.

17 WIND ENERGY↗
DOE OSTI2020

Transient pulse‐based impedance characterisation of DC‐link capacitor for EV systems

In this study, a method for impedance characterisation of DC‐link capacitors based on transient pulse analysis is proposed. The fundamentals of the concept are presented and design considerations are discussed. The functionality of the proposed approach is supported by SPICE simulation with two different commercial capacitors from different manufacturers and validated with experimental results. Experimental results for equivalent series resistance, equivalent series inductance (ESL) and capacitance estimation are presented for commercial DC‐link capacitors and compared with component analyser results. The simulation and experimental results show that the proposed method is a promising candidate for capacitance and ESL estimation of capacitors in EV traction systems.

Gurpinar, Emre↗
DOE OSTI2024

A Particle-in-Cell Method for Plasmas with a Generalized Momentum Formulation, Part II: Enforcing the Lorenz Gauge Condition

In a previous paper Christlieb et al. (A particle-in-cell method for plasmas with a generalized momentum formulation, part I: Model formulation, 2024), we developed a new particle-in-cell (PIC) method for the relativistic Vlasov–Maxwell system in which the electromagnetic fields and the equations of motion for the particles were cast in terms of scalar and vector potentials through a Hamiltonian formulation. This new method evolved the potentials under the Lorenz gauge using integral equation methods. New methods to construct spatial derivatives of the potentials that converge at the same rates as the fields were also presented. The new particle method was compared against standard explicit discretizations, including the well-known FDTD-PIC method, for a range of applications involving sheaths and particle beams. Here, this paper extends this new class of methods by focusing on the enforcement the Lorenz gauge condition in both exact and approximate forms using co-located meshes. A time-consistency property of the proposed field solver for the vector potential form of Maxwell’s equations is established, which is shown to preserve the equivalence between the semi-discrete Lorenz gauge condition and the analogous semi-discrete continuity equation. Using this property, we present three methods to enforce a semi-discrete gauge condition. The first method introduces an update for the continuity equation that is consistent with the discretization of the Lorenz gauge condition. Both the finite difference and spectral implementations satisfy this discrete gauge condition to machine precision. The second approach we propose enforces a semi-discrete continuity equation using the boundary integral solution to the field equations. The potential benefit of this approach is that it eliminates spatial derivatives that appear on the particle data, namely the current density, which is often calculated by linear combinations of low-order spline basis functions. This method is ideally suited to boundary integral equation methods that invert multi-dimensional operators without dimensional splitting techniques and will be the subject of future work. The third approach introduces a gauge correcting method that makes direct use of the gauge condition to modify the scalar potential and uses local maps for both the charge and current densities. This results in a gauge error, as the maps do not enforce the continuity equation. The vector potential coming from the current density is taken to be exact, and using the Lorenz gauge, we compute a correction to the scalar potential that makes the two potentials satisfy the gauge condition. This method also enforces the gauge condition to machine precision. We demonstrate two of the proposed methods in the context of periodic domains. Problems defined on bounded domains, including those with complex geometric features remain an ongoing effort. However, this work shows that it is possible to design computationally efficient methods that can effectively enforce the Lorenz gauge condition in a non-staggered PIC formulation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

The miniJPAS survey: A search for extreme emission-line galaxies

Context. Galaxies with extreme emission lines (EELGs) may play a key role in the evolution of the Universe, as well as in our understanding of the star formation process itself. For this reason an accurate determination of their spatial density and fundamental properties in different epochs of the Universe will constitute a unique perspective towards a comprehensive picture of the interplay between star formation and mass assembly in galaxies. In addition to this, EELGs are also interesting in order to explain the reionization of the Universe, since their interstellar medium (ISM) could be leaking ionizing photons, and thus they could be low z, analogous of extreme galaxies at high z . Aims. This paper presents a method to obtain a census of EELGs over a large area of the sky by detecting galaxies with rest-frame equivalent widths ≥300 Å in the emission lines [O II]λλ3727,3729Å, [O III]λ5007Å, and Hα. For this, we aim to use the J-PAS survey, which will image an area of ≈8000 deg 2 with 56 narrow band filters in the optical. As a pilot study, we present a methodology designed to select EELGs on the miniJPAS images, which use the same filter dataset as J-PAS, and thus will be exportable to this larger survey. Methods. We make use of the miniJPAS survey data, conceived as a proof of concept of J-PAS, and covering an area of ≈1 deg 2 . Objects were detected in the r SDSS images and selected by imposing a condition on the flux in a given narrow-band J-PAS filter with respect to the contiguous ones, which is analogous to requiring an observed equivalent width larger than 300 Å in a certain emission line within the filter bandwidth. The selected sources were then classified as galaxies or quasi-stellar objects (QSOs) after a comparison of their miniJPAS fluxes with those of a spectral database of objects known to present strong emission lines. This comparison also provided a redshift for each source, which turned out to be consistent with the spectroscopic redshifts when available (|Δz/(1 + z spec )| ≤ 0.01). Results. The selected candidates were found to show a compact appearance in the optical images, some of them even being classified as point-like sources according to their stellarity index. After discarding sources classified as QSOs, a total of 17 sources turned out to exhibit EW 0 ≥ 300 Å in at least one emission line, thus constituting our final list of EELGs. Our counts are fairly consistent with those of other samples of EELGs in the literature, although there are some differences, which were expected due to biases resulting from different selection criteria.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

ARC-DPA 1-MeV Neutron Fluence Equivalence Model for GaAs

Here, the legacy data used in the production of the American Society for Testing and Materials (ASTM) E722 standard for gallium arsenide (GaAs) were fit with the athermal recombination corrected-displacements per atom (ARC-DPA) model for the development of a novel 1-MeV neutron equivalent fluence metric. Improving on previous work, the coefficients for the ARC-DPA model were optimized using a conjugate gradient method, and the uncertainties in the observed damage in different benchmark neutron fields were sampled to quantify their contribution to the damage metric. The optimized parameters of −0.474 ± 0.03 for b arcdpa and 0.016 ± 0.002 for c arcdpa provided good agreement and indicated that the solution is not sensitive to the corresponding fluence uncertainties. Compared to the current 1-MeV neutron fluence equivalence standard for displacement damage in GaAs, our results indicate that for a thermal reactor neutron environment, displacement damage has been underestimated by around 25% and that the saturation value for the damage efficiency had been higher than previously modeled.

1-MeV equivalent fluence↗
DOE OSTI2024

Further investigation on the fusion of 6 Li with 209 Bi target at near-barrier energies

The complete and incomplete fusion cross sections for 6 Li+ 209 Bi were measured using the in-beam γ-ray method around the Coulomb barrier. The cross sections of (deuteron captured) incomplete fusion (ICF) products were re-quantified experimentally for this reaction system. Here, the results reveal that the ICF cross section is equivalent to that of complete fusion (CF) above the Coulomb barrier and dominant near or below the Coulomb barrier. A theoretical calculation based on the continuum discretized coupled channel (CDCC) method was performed for the aforementioned CF and ICF cross sections; the result is consistent with the experiments. The universal fusion function (UFF) was also compared with the measured CF cross section for different barrier parameters, demonstrating that the CF suppression factor is significantly influenced by the choice of potential, which can reflect both dynamic and static effects of breakup on the fusion process.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Designing stellarators using perpendicular permanent magnets

We have developed a fast method to design perpendicular permanent magnets for simplifying stellarator coils based on existing codes. Coil complexity is one of the main challenges for stellarators. To date, only electromagnetic coils have been used to generate 3D fields for stellarators. Permanent magnets provide an alternative way to produce the desired magnetic field for optimized stellarators. In this paper, we revisit the concept of representing surface current using magnetic dipoles and carry out numerical validations. A surface magnetization is proven to be equivalent to the surface current that can be linearly solved by existing coil design codes. An incremental multi-layer method has been developed to obtain a practical solution that is attainable with present permanent magnets. With this method, we can reproduce a half-Tesla NCSX configuration using specially designed neodymium magnets together with simple planar coils. It shows that stellarator coils could be substantially simplified by adopting permanent magnets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Electrochemically Triggered Chain Reactions for the Conversion of Furan Derivatives

Abstract We report an electrochemical method for coupling biomass‐derived C5/C6 compounds to value‐added fuel precursors. Using only 2 % of equivalent charges, 2‐methylfuran (2‐MF) was oxidized to yield a cation radical, which readily reacted with 3‐hexene‐2,5‐dione, a derivate of 2,5‐dimethylfuran, to produce 3‐(5‐methylfuran‐2‐yl)hexane‐2,5‐dione. The product was converted to 4‐ethylnonane (a component of biodiesel/jet fuel) in a single step in excellent yield. Importantly, the reaction was not sensitive to oxygen, and a trace amount of water was found to promote the reaction. Detailed mechanistic studies confirmed the proposed reaction pathways. Key to the mechanism is the radical generation that is enabled by electrochemistry. The radical is regenerated at the end of a reaction cycle to ensure chain propagation for an average of ca. 47 times, resulting in an apparent Faradaic efficiency of 4700 %.

Chen, Rong↗
DOE OSTI2019

Validation on Aggregate Flexibility from Residential Air Conditioning Systems for Building-to-Grid Integration

To facilitate the integration of buildings to the power grid, battery-equivalent models have been proposed to characterize and quantify aggregate flexibility from building loads. An analytical method has been proposed to construct such a flexibility model for thermostatically controlled loads. Since this analytical method is derived from a simplified representation of building thermal dynamics, it is necessary to evaluate the resulting flexibility model in a more realistic context. This paper focuses on the validation of this analytical method for estimating aggregate flexibility from residential air conditioning (ACs) systems. A high-fidelity model is first developed to mimic thermal behaviors of a residential AC system through a co-simulation between Modelica and EnergyPlus. A population of virtual residential AC systems is then generated by randomizing parameters of the high-fidelity model. Finally, an aggregate flexibility model is constructed for the residential AC population using the analytical method and validated using results from simulation of the high-fidelity model. It is found that the flexibility estimated using the analytical method is with reasonable accuracy, but can be improved by explicitly incorporating heat gains into the method.

Huang, Sen↗