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At least 289 records · Page 16

Measurements and Prediction of Sooting Tendencies of Pure Hydrocarbons

The amount of soot formed in combustion devices such as engines depends strongly on the chemical structure of the fuel. Over the past 10 years we have measured quantitative sooting tendencies for hundreds of pure hydrocarbons representative of those in practical fuels. The sooting tendencies have been characterized in terms of Yield Sooting Index (YSI), which is based on the amount of soot formed in a methane/air reference flame when a small amount of the test compound is doped into the fuel. In this new collaborative project we are developing a Quantitative Structure-Activity Relationship (QSAR) model from these results; this model can be used to predict YSI for new hydrocarbons of interest and to understand the details of the underlying chemistry. The model uses molecular descriptors to describe the structure of each compound in the database, and it predicts YSI with a feed-forward artificial neural network trained with the measured values. It has a rigorously defined applicability domain and its performance has been tested by both internal and external validation. New measurements have been performed to extend the applicability domain towards advanced biofuels and for external validation.

30 DIRECT ENERGY CONVERSION↗

The FIFE Project at Fermilab

The FabrIc for Frontier Experiments (FIFE) project is an initiative within the Fermilab Scientific Computing Division designed to steer the computing model for non-LHC Fermilab experiments across multiple physics areas. FIFE is a collaborative effort between experimenters and computing professionals to design and develop integrated computing models for experiments of varying size, needs, and infrastructure. The major focus of the FIFE project is the development, deployment, and integration of solutions for high throughput computing, data management, database access and collaboration management within an experiment. To accomplish this goal, FIFE has developed workflows that utilize Open Science Grid compute sites along with dedicated and commercial cloud resources. The FIFE project has made significant progress integrating into experiment computing operations several services including a common job submission service, software and reference data distribution through CVMFS repositories, flexible and robust data transfer clients, and access to opportunistic resources on the Open Science Grid. The progress with current experiments and plans for expansion with additional projects will be discussed. FIFE has taken the leading role in defining the computing model for Fermilab experiments, aided in the design of experiments beyond those hosted at Fermilab, and will continue to define the future direction of high throughput computing for future physics experiments worldwide.

Box, D.↗

Progress on the FabrIc for Frontier Experiments project at Fermilab

The FabrIc for Frontier Experiments (FIFE) project is an ambitious, major-impact initiative within the Fermilab Scientific Computing Division designed to lead the computing model for Fermilab experiments. FIFE is a collaborative effort between experimenters and computing professionals to design and develop integrated computing models for experiments of varying needs and infrastructure. The major focus of the FIFE project is the development, deployment, and integration of Open Science Grid solutions for high throughput computing, data management, database access and collaboration within experiment. To accomplish this goal, FIFE has developed workflows that utilize Open Science Grid sites along with dedicated and commercial cloud resources. The FIFE project has made significant progress integrating into experiment computing operations several services including new job submission services, software and reference data distribution through CVMFS repositories, flexible data transfer client, and access to opportunistic resources on the Open Science Grid. Hence, the progress with current experiments and plans for expansion with additional projects will be discussed. FIFE has taken a leading role in the definition of the computing model for Fermilab experiments, aided in the design of computing for experiments beyond Fermilab, and will continue to define the future direction of high throughput computing for future physics experiments worldwide

97 MATHEMATICS AND COMPUTING↗

Initial On-Orbit Spectral Calibration of the PACE Ocean Color Instrument

The NASA Plankton, Aerosol, Cloud, and ocean Ecosystem (PACE) mission Project Science Team has used Ocean Color Instrument (OCI) measurements of Fraunhofer lines in spectra of sunlight reflected by the solar diffuser and measurements of atmospheric absorption bands in cloudtop and ocean spectra to characterize the spectral calibration of OCI on orbit. Multiple lines have been analyzed for both the ultraviolet to visible (UVVIS, 340−607 nm) and visible to near-infrared (VISNIR, 597−897 nm) grating spectrographs. The spectrographs yield hyperspectral observations with 5 nm bandwidths and 0.625 nm sampling intervals. The on-orbit observations have been compared with the prelaunch spectral calibration of OCI performed by the Goddard Laser for Absolute Measurement of Radiance (GLAMR) during thermal vacuum testing to track any changes in the calibration since launch. The calibration analyzed the line positions and strengths for the Fraunhofer lines for each spectrograph by comparing the solar spectra measured by OCI with predicted solar spectra derived from the solar reference spectrum and the BRDF of the solar diffuser, convolved with the OCI relative spectral responses. The calibration also compared the line positions of the atmospheric absorption bands with the model transmissions used by the PACE Project. The line position comparisons show that the root mean square (RMS) spectral difference between the measured and predicted spectra is 0.15 nm, the average spectral shift is 0.062 nm, and the residual spectral dispersion over the wavelength range of the Fraunhofer lines is 0.17 nm. All three estimates of the spectral accuracy of OCI meet the instrument functional requirement of a spectral accuracy of 0.5 nm and are well within the 0.625 nm sampling interval of the data. The line strength comparisons between measured and predicted spectra are essentially the same. These results show that the spectral calibration of OCI on orbit has not drifted since the prelaunch calibration of OCI by GLAMR and that the on-orbit spectral calibration of OCI is stable over time. These results also provide a baseline for monitoring the future spectral performance of OCI on orbit.

Radiometric Calibration↗

High-Resolution Fire Weather Index Data for the Conterminous US (1980–2099), Version 1

This dataset presents a suite of high-resolution fire weather index datasets calculated from observation (gridMet, Livneh, Daymet V4), reanalysis (AgERA5), downscaled hydro-climate projections over the conterminous United States (CONUS) based on multiple selected Global Climate Models (GCMs) from the Coupled Model Intercomparison Project Phase 6 (CMIP6). Aside from the daily FWI datasets, we also include a set of FWI extreme indicators at annual, seasonal, and monthly scales, including 1) fwixx: maximum FWI; 2) fwisa: mean FWI. For annual fwisa, it refers to the season with the maximum seasonal average; 3) fwils: Length of fire season over a specified period, where fire season is defined as the days exceeding the median value of the normalized FWI during the reference period (1980-1984); 4) fwixd: Number of extreme fire weather days over a specified period, where extreme day is defined as the day with FWI > the 95th percentile of the FWI during the reference period (1980-1984). All FWI datasets cover 1980-2020 baseline and the model simulated products including the downscaled products additionally include 2021-2099 near-future periods under the high-end (SSP585) emission scenario.

54 ENVIRONMENTAL SCIENCES↗

Future Projections of EURO‐CORDEX Raw and Bias‐Corrected Daily Maximum Wind Speeds Over Scandinavia

Twenty historical and future Coordinated Regional Climate Downscaling Experiment ensemble for Europe simulations are bias corrected to investigate the future changes in the daily maximum wind speed over Scandinavia. We use quantile mapping to adjust the wind for the historical period (1985–2014) and quantile delta mapping for two future periods (2041–2070, 2071–2100, RCP8.5) with the 3-km spatial resolution NORA3 hindcast as the reference data set. Decomposing the variance, we find that most of the inter-model spread in the bias and the response to climate change is due to the regional climate model over land and mainly to the general climate model over sea. On average, the mean daily maximum wind speed is projected to increase everywhere except along the western coast of Norway and Denmark. In summer, we see an opposite sign over Sweden and Finland. The Norwegian Sea experiences weaker mean and high wind whereas the Baltic Sea experiences a strengthening. Bias correction influences the amplitude of the response, not the response pattern. Wind speed distributions can have different shapes in the future, with, for example, a flattening of the distribution off the coast of Norway with more frequent weak and very strong winds. Apart from a few locations in Norway, we find an increase in the number of days in the local highest historical wind category. Overall, summer exhibits opposite signals compared to the three other seasons. At country scale, the sign of the change in the mean and 98th percentile varies greatly depending on the region and among the simulations, especially for Norway.

54 ENVIRONMENTAL SCIENCES↗

Efficient Safety and Degradation Modeling of Automotive Lithium-ion Cells and Packs

This document is intended to give an overall synopsis of the activities and accomplishments of the EC Power CAEBAT2 project over the course of four years. The reader is referred to the previously submitted quarterly reports, review presentations, and AMR presentations for further technical details. As highlighted by the numerous results shown herein and the volume and quality of the publications and presentations made in the course of this project, we feel that we have made a strong impact in the community.

25 ENERGY STORAGE↗

Detecting Small-Scale Topographic Changes and Relict Geomorphic Features on Barrier Islands Using SAR

The shapes and elevations of barrier islands may change dramatically over a short period of time during a storm. Coastal scientists and engineers, however, are currently unable to measure these changes occurring over an entire barrier island at once. This three-year project, which is funded by NASA and jointly conducted by the Bureau of Economic Geology and the Center for Space Research at The University of Texas at Austin, is designed to overcome this problem by developing the use of interferometry from airborne synthetic aperture radar (AIRSAR) to measure coastal topography and to detect storm-induced changes in topography. Surrogate measures of topography observed in multiband, fully polarimetric AIRSAR (This type of data are now referred to as POLSAR data.) are also being investigated. Digital elevation models (DEM) of Galveston Island and Bolivar Peninsula, Texas obtained with Topographic SAR (TOPSAR) are compared with measurements by Global Positioning System (GPS) ground surveys and electronic total station surveys. In addition to topographic mapping, this project is evaluating the use of POLSAR to detect old features such as storm scarps, storm channels, former tidal inlets, and beach ridges that have been obscured by vegetation, erosion, deposition, and artificial filling. We have also expanded the work from the original proposal to include the mapping of coastal wetland vegetation and depositional environments. Methods developed during this project will provide coastal geologists with an unprecedented tool for monitoring and understanding barrier island systems. This understanding will improve overall coastal management policies and will help reduce the effects of natural and man-induced coastal hazards. This report summarizes our accomplishments during the second year of the study. Also included is a discussion of our planned activities for year 3 and a revised budget.

Gibeaut, James C.↗

HPC-Enabled Optimization of High Temperature Heat Exchangers (CRADA Final Report)

This project was a collaborative effort between Lawrence Livermore National Security, LLC (LLNS) as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Materials Sciences, LLC, to develop a technology for design and optimization of heat exchangers using powerful desktop and laptop computers. The project was originally designated as a 12-month project, and consisted of 3# major tasks and the following 8# major deliverables: 1) CFD models of 3D heat exchangers based on existing and new geometry. 2) Validation against experimental data provided by MSC and published in the literature. 3) CFD models of 3D unit cells based on TPMS. 4) Surrogate models capable of delivering the gradients of the homogenized properties with respect to the parametrization. 5) 3D design methodology using TO algorithms. 6) Conventional reference and topology optimized designs. 7) 3D optimized designs stored in a 3D printer build format. 8) Verification of the improved performance. All of the deliverables for this project were successfully completed with two no-cost time extensions.

36 MATERIALS SCIENCE↗

HPC-Enabled Optimization of High Temperature Heat Exchangers (CRADA Final Report)

This project was a collaborative effort between Lawrence Livermore National Security, LLC (LLNS) as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Materials Sciences, LLC, to develop a technology for design and optimization of heat exchangers using powerful desktop and laptop computers. The project was originally designated as a 12-month project, and consisted of 3# major tasks and the following 8# major deliverables: 1) CFD models of 3D heat exchangers based on existing and new geometry. 2) Validation against experimental data provided by MSC and published in the literature. 3) CFD models of 3D unit cells based on TPMS. 4) Surrogate models capable of delivering the gradients of the homogenized properties with respect to the parametrization. 5) 3D design methodology using TO algorithms. 6) Conventional reference and topology optimized designs. 7) 3D optimized designs stored in a 3D printer build format. 8) Verification of the improved performance. All of the deliverables for this project were successfully completed with two no-cost time extensions.

13 HYDRO ENERGY↗

Probabilistic risk-based Area of Review (AoR) determination for a deep-saline carbon storage site

Regulatory oversight of a geologic carbon sequestration (GCS) project relies on iterative estimations, throughout the project lifetime, of the area where increased risks to underground sources of drinking water (USDWs) may occur due to injection of CO2. This area, referred to as Area of Review (AoR), is typically delineated by predicting the migration of fluid between the reservoir and the lowermost USDW via an open wellbore using predictions from physics-based reservoir simulators. The inherent uncertainty in input parameters used in reservoir modeling therefore affects the accuracy of determining the AoR for a project. Furthermore, the standard analytical approaches for calculating a critical pressure to delineate the risk area yield an infinite AoR for cases where the injection reservoir is overpressured relative to the USDW. A methodology is presented in this paper to better characterize the risk to USDWs while accounting for the uncertainty in reservoir modeling, with an application to a permitted GCS project with an overpressured injection formation, FutureGen 2.0. The methodology is demonstrated using the National Risk Assessment Partnership’s open-source integrated assessment model (NRAP-Open-IAM) to develop a probabilistic estimate of impact risk to USDW quality. CO2 and pressure predictions from the reservoir modeling conducted using the STOMP-CO2 simulator for the FutureGen 2.0 site are used in a NRAP-Open-IAM model with reservoir, wellbore, and aquifer components to: (1) assess the extent of potential leakage into the USDW for the predicted reservoir pressure conditions; (2) evaluate the extent of potential impact using “no-net-degradation” thresholds; and (3) account for uncertainty in reservoir permeabilities.

03 NATURAL GAS↗

The role of methane in future climate strategies: mitigation potentials and climate impacts

This study examines model-specific assumptions and projections of methane (CH 4 ) emissions in deep mitigation scenarios generated by integrated assessment models (IAMs). For this, scenarios of nine models are compared in terms of sectoral and regional CH 4 emission reduction strategies, as well as resulting climate impacts. The models’ projected reduction potentials are compared to sector and technology-specific reduction potentials found in literature. Significant cost-effective and non-climate policy related reductions are projected in the reference case (10–36% compared to a “frozen emission factor” scenario in 2100). Still, compared to 2010, CH 4 emissions are expected to rise steadily by 9–72% (up to 412 to 654 Mt CH 4 /year). Ambitious CO 2 reduction measures could by themselves lead to a reduction of CH 4 emissions due to a reduction of fossil fuels (22–48% compared to the reference case in 2100). However, direct CH 4 mitigation is crucial and more effective in bringing down CH 4 (50–74% compared to the reference case). Given the limited reduction potential, agriculture CH 4 emissions are projected to constitute an increasingly larger share of total anthropogenic CH 4 emissions in mitigation scenarios. Enteric fermentation in ruminants is in that respect by far the largest mitigation bottleneck later in the century with a projected 40–78% of total remaining CH 4 emissions in 2100 in a strong (2 °C) climate policy case.

54 ENVIRONMENTAL SCIENCES↗

Union of rotational and vibrational modes in generator-coordinate-type calculations, with application to neutrinoless double-β decay

Good many-body methods for medium and heavy nuclei are important. Here we combine rotational motion with vibrational modes in a novel generator-coordinate method (GCM): starting from a mean-field solution (Hartree-Fock-Bogoliubov), we create nonorthogonal reference states from low-lying quasiparticle Tamm-Dancoff modes, and then project onto states of good angular momentum and particle number. Here, the results we benchmark against full shell model calculations. Even with just a few such modes we find improvement over standard GCM calculations in excitation spectra. We also find significant improvement in 0νββ nuclear matrix elements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

IRI: An international Rawer initiative

This paper was presented during the special session that was held at the 1993 International Reference Ionosphere (IRI) Workshop in honor of Karl Rawer's 80th birthday. It retraces the steps that led from the start of the IRI project to the present edition of the model highlighting the important role that the honoree played in guiding IRI from infancy to maturity. All summary view graphs are reproduced at the end of the article.

Bilitza, D.↗

Segregation Evolution and Diffusion of Titanium in Directed Energy Deposited NASA HR-1

Titanium segregation in single-pass directed energy deposited (DED) NASA HR-1 is very difficult to control because grain size varies considerably and many large grains (>100 μm) are present. Therefore, homogenization kinetic analysis was performed to see how the homogenization process should be adjusted to mitigate titanium segregation. A basic model for titanium diffusion in NASA HR-1 was developed to project titanium segregation as a function of homogenization temperature, time, and grain size. The homogenization kinetic analysis provides a valuable reference on how the homogenization treatment should be adjusted to reduce titanium segregation to a very low level for DED NASA HR-1.

liquid rocket engine↗

FY 2021 Isolated Grids and Grid-Connected Turbine Reference Systems; Microgrids, Infrastructure Resilience, and Advanced Controls Launchpad (MIRACL)

For individuals, businesses, and communities focused on building resilient electrical grid infrastructure, wind energy can provide an affordable, accessible, and compatible distributed energy resource option that also enhances the capabilities of local grid operations. The Microgrids, Infrastructure Resilience, and Advanced Controls Launchpad (MIRACL) project is a multi-year distributed wind research effort, driven through a partnership between four Department of Energy National Laboratories and industry to develop and improve the planning, design, and operation of wind-centered microgrids to complement solar, energy storage, and other distributed energy resources for grid-tied and isolated operation (U.S. Department of Energy, 2021). This report documents the application of methods developed through the initial three years of the MIRACL project to two real-world distributed wind reference systems. Specifically, the methods demonstrated in this report include 1) a market valuation framework to comprehensively value the services distributed wind can provide and 2) a resilience framework that enables stakeholders to characterize distribution system resilience and compare grid investment decisions from a resilience perspective. Additional methods mentioned in this report include distributed hybrid system design methods for grid resilience, advanced control co-simulation platforms, and power hardware-in-the-loop (PHIL) models. Preliminary results from these additional methods are presented in this report and will be demonstrated and/or applied to the reference systems in the coming year. The purpose of applying these methods to reference systems is to drive technology transfer of the theories, methodologies, and technologies developed under the MIRACL project and increase the number of referenceable case studies available to stakeholders interested in additional value-added capabilities of wind systems beyond bulk energy supply (i.e. kilowatt-hours).

17 WIND ENERGY↗

Accelerating eigenvalue computation for nuclear structure calculations via perturbative corrections

Subspace projection methods utilizing perturbative corrections have been proposed for computing the lowest few eigenvalues and corresponding eigenvectors of large Hamiltonian matrices. In this paper, we build upon these methods and introduce the term Subspace Projection with Perturbative Corrections (SPPC) method to refer to this approach. We tailor the SPPC for nuclear many-body Hamiltonians represented in a truncated configuration interaction subspace, i.e., the no-core shell model (NCSM). We use the hierarchical structure of the NCSM Hamiltonian to partition the Hamiltonian as the sum of two matrices. The first matrix corresponds to the Hamiltonian represented in a small configuration space, whereas the second is viewed as the perturbation to the first matrix. Eigenvalues and eigenvectors of the first matrix can be computed efficiently. Because of the split, perturbative corrections to the eigenvectors of the first matrix can be obtained efficiently from the solutions of a sequence of linear systems of equations defined in the small configuration space. These correction vectors can be combined with the approximate eigenvectors of the first matrix to construct a subspace from which more accurate approximations of the desired eigenpairs can be obtained. We show by numerical examples that the SPPC method can be more efficient than conventional iterative methods for solving large-scale eigenvalue problems such as the Lanczos, block Lanczos and the locally optimal block preconditioned conjugate gradient (LOBPCG) method. The method can also be combined with other methods to avoid convergence stagnation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Eulerian thermo-mechanical simulations of heterogeneous solid propellants using an approximate projection method

We present a mathematical model that describes thermo-mechanical deformations and thermal gradients on the unsteady burning of a heterogeneous solid propellant. A scaling study shows that the deformations in solid at combustion timescales can be treated as quasi-static. The resulting thermo-mechanical formulation is formulated on a Cartesian grid and makes use of a weak form of Chorin-type projection method to deal with large difference in shear modulus of constituent materials. Further, a one-dimensional verification study is carried out by comparing numerical simulations with those of an analytical model. In addition, convergence studies for a two-dimensional propellant sandwich configuration are presented for the stress, velocity, and reference map components. Finally, simulations are carried out for a two-dimensional random propellant pack and the time-averaged burn rate and strains are reported.

42 ENGINEERING↗