Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Objective function”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Using Digital and Web-Based Platforms to Enhance Nuclear Power Plant Knowledge Transfer - 20203

As the workforce ages, the loss of experienced personnel can result in a loss of important knowledge. Updating Electric Power Research Institute (EPRI) research and guidance with the latest technology developments and operating experience is an important method to transfer knowledge between the retiring and incoming workforce. Studies suggest that the incoming workforce is accustomed to using digital and/or internet-based platforms to find information and may have a higher comfort with these types of platforms than they have with static, written reports. Additionally, the ease and speed of updating and delivering content through digital formats may offer an effective method for knowledge transfer and combining information from multiple reports into a single access point. EPRI has recently produced an online Decommissioning Hub available to members and is working on replicating the effort in the area of radioactive waste management called the Radwaste Web References. EPRI has extensive guidance in both disciplines. The Decommissioning Hub uses a wiki format to provide a platform that allows for both the updating of that guidance resulting from new research and new operating experiences, and combining related topical information from multiple reports. It also allows users to access the information based on key words and topical searches, and can be a tool for users to input experience to share with others. The Decommissioning Hub is accessed via a web-based portal and includes topical pages; experience summaries; a question and answer capability; and a smart search function of all EPRI decommissioning reports. Use of a wiki format allows users to input new experiences or modify existing experience summaries to add additional detail. EPRI moderates all content. The experience data base has been initially populated with information available in published EPRI reports and unpublished information currently available within EPRI. Moving forward, population of the database will continue with information available within the open literature, new information developed from current decommissioning projects, and user inputs. The web site became active in late 2017, and a major update will be issued in early 2020. Larger scale updates are planned biannually, and smaller-scale updates will occur continuously. Capturing and applying lessons learned from industry experiences is a hallmark of the global nuclear industry. This is even more important in the decommissioning technology area since very few plant staff have relevant experience and thus there is a steep learning curve. Moreover, decommissioning involves a number of complex, non-routine and specialized tasks. The web-accessible and searchable experience database provides an easy-to-use resource for capturing and disseminating practical experiences from completed and ongoing decommissioning projects. The EPRI Radwaste Web References will build upon the philosophy and objectives of the Radwaste Desk References that were published in the 1990's. The purpose of the original Radwaste Desk References was to provide nuclear power plant professionals with a how-to manual for managing radioactive waste. The Radwaste Web References will adopt this original purpose and will be a wiki type web site that provide fundamental practical and theoretical information, operating experience (OE), and information about advanced technologies and methods. As much as practicable, features that allow for interaction between users to share OE, best practices, and benchmarking will be added. Where they exist and are appropriate, the various EPRI Guidelines documents on radwaste topics will be updated and incorporated into the Radwaste Web References. The first Radwaste Web Reference will be on Low Level Waste Characterization and will build upon the EPRI Low Level Waste Characterization Guidelines (EPRI Report TR-107201, 1996) and will be available in 2020. The next Radwaste Web Reference will be on the topic of liquid radioactive waste processing and management, tentatively set for unveiling in 2021. This paper summarizes the EPRI's previous experiences with web-based platforms and future plans in this area. (authors)

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

Jet classification using high-level features from anatomy of top jets

Recent advancements in deep learning models have significantly enhanced jet classification performance by analyzing low-level features (LLFs). However, this approach often leads to less interpretable models, emphasizing the need to understand the decision-making process and to identify the high-level features (HLFs) crucial for explaining jet classification. To address this, we consider the top jet tagging problems and introduce an analysis model (AM) that analyzes selected HLFs designed to capture important features of top jets. Our AM mainly consists of the following three modules: a relation network analyzing two-point energy correlations, mathematical morphology and Minkowski functionals for generalizing jet constituent multiplicities, and a recursive neural network analyzing subjet constituent multiplicity to enhance sensitivity to subjet color charges. We demonstrate that our AM achieves performance comparable to the Particle Transformer (ParT) while requiring fewer computational resources in a comparison of top jet tagging using jets simulated at the hadronic calorimeter angular resolution scale. Furthermore, as a more constrained architecture than ParT, the AM exhibits smaller training uncertainties because of the bias-variance tradeoff. We also compare the information content of AM and ParT by decorrelating the features already learned by AM. Lastly, we briefly comment on the results of AM with finer angular resolution inputs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

PRISMS-PF: A general framework for phase-field modeling with a matrix-free finite element method

Abstract A new phase-field modeling framework with an emphasis on performance, flexibility, and ease of use is presented. Foremost among the strategies employed to fulfill these objectives are the use of a matrix-free finite element method and a modular, application-centric code structure. This approach is implemented in the new open-source PRISMS-PF framework. Its performance is enabled by the combination of a matrix-free variant of the finite element method with adaptive mesh refinement, explicit time integration, and multilevel parallelism. Benchmark testing with a particle growth problem shows PRISMS-PF with adaptive mesh refinement and higher-order elements to be up to 12 times faster than a finite difference code employing a second-order-accurate spatial discretization and first-order-accurate explicit time integration. Furthermore, for a two-dimensional solidification benchmark problem, the performance of PRISMS-PF meets or exceeds that of phase-field frameworks that focus on implicit/semi-implicit time stepping, even though the benchmark problem’s small computational size reduces the scalability advantage of explicit time-integration schemes. PRISMS-PF supports an arbitrary number of coupled governing equations. The code structure simplifies the modification of these governing equations by separating their definition from the implementation of the numerical methods used to solve them. As part of its modular design, the framework includes functionality for nucleation and polycrystalline systems available in any application to further broaden the phenomena that can be used to study. The versatility of this approach is demonstrated with examples from several common types of phase-field simulations, including coarsening subsequent to spinodal decomposition, solidification, precipitation, grain growth, and corrosion.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Advanced characterization of surface-modified nanoparticles and nanofilled antibacterial dental adhesive resins

Nanotechnology can improve the performance of dental polymers. The objective of this study was to modify the surfaces of nanoparticles with silanes and proteins, characterize nanoparticles’ agglomeration levels and interfaces between nanoparticles and the polymeric matrix. Undoped (n-TiO 2 ), nitrogen-doped (N_TiO 2 ) and nitrogen-fluorine co-doped titanium dioxide nanoparticles (NF_TiO 2 ) were synthesized and subjected to surface modification procedures in preparation for Small-Angle X-Ray Scattering (SAXS) and Small-Angle Neutron Scattering (SANS) characterizations. Experimental adhesives were manually synthesized by incorporating 20% (v/v) of n-TiO 2 , N_TiO 2 or NF_TiO 2 (as-synthesized or surface-modified) into OptiBond Solo Plus (OPTB). Specimens (n = 15/group; d = 6.0 mm, t = 0.5 mm) of OPTB and experimental adhesives were characterized using Time-of-Flight Secondary Ion Mass Spectroscopy (ToF-SIMS), 2-D ToF-SIMS chemical imaging and SANS. SAXS results indicated that surface-modified nanoparticles displayed higher scattering intensities in a particle-size dependent manner. ToF-SIMS results demonstrated that nanoparticles’ incorporation did not adversely impact the parental polymer. 2-D ToF-SIMS chemical imaging demonstrated the distribution of Ti + and confirmed nitrogen-doping levels. SANS results confirmed nanoparticles’ functionalization and revealed the interfaces between nanoparticles and the polymer matrix. Metaloxide nanoparticles were successfully fabricated, incorporated and covalently functionalized in a commercial dental adhesive resin, thereby supporting the utilization of nanotechnology in dentistry.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Numerical Investigation of a Central Fuel Property Hypothesis Under Boosted Spark-Ignition Conditions

In the present work, a central fuel property hypothesis (CFPH), which states that fuel properties are sufficient to provide an indication of a fuel’s performance irrespective of its chemical composition, was numerically investigated. In particular, the objective of the study was to determine whether Research Octane Number (RON) and Motor Octane Number (MON), as fuel properties, are sufficient to describe a fuel’s knock-limited performance under boosted spark-ignition (SI) conditions within the framework of CFPH. To this end, four TPRF-bioblendstock surrogates having different compositions but matched RON (=98) and MON (=90), were first generated using a non-linear regression model based on artificial neural network (ANN). Additionally, three unconventional bioblendstocks were included in the analysis: di-isobutylene (DIB), isobutanol, and Anisole. Skeletal reaction mechanisms were generated for the TPRF-DIB, TPRF-isobutanol, and TPRF-anisole blends from a detailed kinetic mechanism. Thereafter, numerical simulations were performed for the fuel surrogates using the skeletal mechanisms and a virtual cooperative fuel research (CFR) engine model, under a representative boosted operating condition. In the computational fluid dynamics (CFD) model, the G-equation approach was employed to track the turbulent flame front and the well-stirred reactor model combined with the multi-zone binning strategy was used to capture auto-ignition in the end-gas. In addition, laminar flame speed (LFS) was tabulated for each blend as a function of pressure, temperature, and equivalence ratio a priori, and the lookup tables were used to prescribe laminar flame speed as an input to the G-equation model. Parametric spark timing sweeps were performed for each fuel blend to determine the corresponding knock-limited spark advance (KLSA) and 50% burn point (CA50) at the respective KLSA timing. It was observed that despite same RON, MON, and engine operating conditions, the TPRF-anisole blend exhibited markedly different knock-limited performance from the other three blends. This deviation from the octane index (OI) expectation was shown to be caused by differences in laminar flame speed. However, it was found that relatively large fuel-specific differences in LFS (>20%) would have to be present to cause any appreciable deviation from the OI framework. Otherwise, RON and MON would still be robust enough to predict a fuel’s knock-limited performance.

42 ENGINEERING↗
DOE OSTI2022

The dark matter halo masses of elliptical galaxies as a function of observationally robust quantities

Context. The assembly history of the stellar component of a massive elliptical galaxy is closely related to that of its dark matter halo. Measuring how the properties of galaxies correlate with their halo mass can therefore help to understand their evolution. Aims. We investigate how the dark matter halo mass of elliptical galaxies varies as a function of their properties, using weak gravitational lensing observations. To minimise the chances of biases, we focus on the following galaxy properties that can be determined robustly: the surface brightness profile and the colour. Methods. We selected 2409 central massive elliptical galaxies (log M*/M ⊙ ≳ 11.4) from the Sloan Digital Sky Survey spectroscopic sample. We first measured their surface brightness profile and colours by fitting Sérsic models to photometric data from the Kilo-Degree Survey (KiDS). We fitted their halo mass distribution as a function of redshift, rest-frame r-band luminosity, half-light radius, and rest-frame u - g colour, using KiDS weak lensing measurements and a Bayesian hierarchical approach. For the sake of robustness with respect to assumptions on the large-radii behaviour of the surface brightness, we repeated the analysis replacing the total luminosity and half-light radius with the luminosity within a 10 kpc aperture, L r, 10 , and the light-weighted surface brightness slope, Γ 10 . Results. We did not detect any correlation between the halo mass and either the half-light radius or colour at fixed redshift and luminosity. Using the robust surface brightness parameterisation, we found that the halo mass correlates weakly with L r,10 and anti-correlates with Γ 10 . At fixed redshift, L r, 10 and Γ 10 , the difference in the average halo mass between galaxies at the 84th percentile and 16th percentile of the colour distribution is 0.00 ± 0.11 dex. Conclusion. Our results indicate that the average star formation efficiency of massive elliptical galaxies has little dependence on their final size or colour. This suggests that the origin of the diversity in the size and colour distribution of these objects lies with properties other than the halo mass.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Bulk viscosity from Urca processes: npeμ matter in the neutrino-trapped regime

In this work, we extend our previous study of the bulk viscosity of hot and dense npe matter induced by the Urca process in the neutrino trapped regime to npeμ matter by adding the muonic Urca processes as well as the purely leptonic electroweak processes involving electron-muon transition. Here, the nuclear matter is modeled in a relativistic density functional approach with two different parametrizations which predict neutrino dominated matter (DDME2 model) and anti-neutrino dominated matter (NL3 model) at temperatures for which neutrinos/anti-neutrinos are trapped. In the case of neutrino-dominated matter, the main equilibration mechanism is lepton capture, whereas in the case of antineutrino-dominated matter this is due to neutron decay. We find that the equilibration rates of Urca processes are higher than that of the pure leptonic processes, which implies that the Urca bulk viscosity can be computed with the leptonic reactions assumed to be frozen. We find that the bulk viscosity decreases with temperature as ζ~T –2 at moderate temperatures. At high temperatures this scaling breaks down by sharp drops of the bulk viscosity close to the temperature where the proton fraction is density-independent and the matter becomes scale-invariant. This occurs also when the matter undergoes a transition from the antineutrino-dominated regime to the neutrino-dominated regime where the bulk viscosity attains a local maximum. We also estimate the bulk viscous dissipation timescales and find that these are in the range ≳ 1 s for temperatures above the neutrino trapping temperature. These timescales would be relevant only for long-lived objects formed in binary neutron star mergers and hot proto-neutron stars formed in core-collapse supernovas.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

High-Speed Layup and Forming of Automotive Composite Components

This Project is focused on the design and manufacture of automotive components that meet functional and environmental requirements of an existing automotive application at a cost of ≤ $\$$11.00 per kilogram weight reduction. This project fosters the development of composite material technologies suitable for high volume automotive processes and run rates as well as industry workforce development with these technologies. Current automotive manufacturing involves utilizing steel or aluminum in sheet form which is rapidly stamped into components at rates up to 3600 per hour. The metallic sheets are available in many different thicknesses, strength levels, and manufacturing rates are reasonable independent of part size. While composite materials are available for use in automotive applications, the material cost, labor to manufacture and the processing of the waste far exceed the cost compared to metallic designs. Typical composite layer by layer layup procedures don’t meet the desired 60 second layup time that current automotive processes require and are also restricted by part size. Due to these factors, composites have not yet made advances into today’s high volume automotive applications. Industry partners DURA, BASF, Ford, and IACMI core innovation partner MSU collaborated to develop a manufacturing process technology that is capable of manufacturing composite blanks at high volume and independent of part size. IACMI core innovation partner Purdue provided FEA analysis and cost modelling. The objective of this project was to demonstrate a composite sheet layup and consolidation process that can be commercialized for high volume requirements, identify potential layup equipment suppliers, and develop a process of 60 second layup, forming, and trimming of a continuous fiber automotive component for the mainstream market.

42 ENGINEERING↗
DOE OSTI2022

Differing behavioral changes in crayfish and bluegill under short- and long-chain PFAS exposures: Field study in Northern Michigan, USA

The emergent contaminant family, per- and poly-fluorinated alkyl substances (PFAS) has gained research attention due to their widespread detection and stability within the environment. Despite the growing amount of research on perfluorooctanesulfonic acid (PFOS) and perfluoro-n-octanoic acid (PFOA) in aquatic organisms, investigations detailing behavioral and physiological effects of aquatic organisms exposed to a mixture of PFAS analytes in the wild have been limited. The objective of this study was to evaluate the potential behavioral and histological effects of environmental exposure to PFAS compounds within multiple trophic levels of aquatic ecosystems. The current study investigates effects of environmentally relevant PFAS concentration exposures in crayfish (Faxonius immunis, F. rusticus, F. virilis) and bluegill (Lepomis macrochirus) sourced from four water bodies in Northern Michigan. Antipredator response and foraging behavioral assays were used to investigate potential effects on crayfish; a swimming speed behavioral assay and liver and gill histology analysis were used to investigate potential effects on fish. Linear mixed model and multiple regression analyses resulted in significant relationships between tissue accumulation levels of long chain PFAS compounds and crayfish foraging and fish critical swimming speed responses. Crayfish foraging decreased and fish critical swim speeds increased with PFAS exposure which may lead to energetic and population concerns. Antipredator response in crayfish and liver and gill histology in fish were not significantly related to PFAS tissue or water concentrations. The sensitivity of crayfish and bluegill behavior contributes to the growing body of research regarding the differential toxicity of short-chain and long-chain PFAS compounds. The sensitivity of some aquatic organism behaviors to PFAS accumulated in tissue may have implications for PFAS transfer and alterations to ecosystem functioning; based on the results of this field study, further laboratory research is recommended to further evaluate these relationships.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A minimum assumption approach to MEG sensor array design

Objective. Our objective is to formulate the problem of the magnetoencephalographic (MEG) sensor array design as a well-posed engineering problem of accurately measuring the neuronal magnetic fields. This is in contrast to the traditional approach that formulates the sensor array design problem in terms of neurobiological interpretability the sensor array measurements. Approach. We use the vector spherical harmonics (VSH) formalism to define a figure-of-merit for an MEG sensor array. We start with an observation that, under certain reasonable assumptions, any array of m perfectly noiseless sensors will attain exactly the same performance, regardless of the sensors' locations and orientations (with the exception of a negligible set of singularly bad sensor configurations). We proceed to the conclusion that under the aforementioned assumptions, the only difference between different array configurations is the effect of (sensor) noise on their performance. We then propose a figure-of-merit that quantifies, with a single number, how much the sensor array in question amplifies the sensor noise. Main results. We derive a formula for intuitively meaningful, yet mathematically rigorous figure-of-merit that summarizes how desirable a particular sensor array design is. We demonstrate that this figure-of-merit is well-behaved enough to be used as a cost function for a general-purpose nonlinear optimization methods such as simulated annealing. We also show that sensor array configurations obtained by such optimizations exhibit properties that are typically expected of 'high-quality' MEG sensor arrays, e.g. high channel information capacity. Significance. Our work paves the way toward designing better MEG sensor arrays by isolating the engineering problem of measuring the neuromagnetic fields out of the bigger problem of studying brain function through neuromagnetic measurements.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Follow-up observations for IceCube-170922A: Detection of rapid near-infrared variability and intensive monitoring of TXS 0506+056

Abstract We present our follow-up observations to search for an electromagnetic counterpart of the IceCube high-energy neutrino IceCube-170922A. Monitoring observations of a likely counterpart, TXS 0506+056, are also described. First, we quickly took optical and near-infrared images of seven flat-spectrum radio sources within the IceCube error region right after the neutrino detection and found a rapid flux decline of TXS 0506+056 in Kanata/HONIR J-band data. Motivated by this discovery, intensive follow-up observations of TXS 0506+056 were continuously performed, including our monitoring imaging observations, spectroscopic observations, and polarimetric observations in optical and near-infrared wavelengths. TXS 0506+056 showed a large-amplitude (∼1.0 mag) variability in a time scale of several days or longer, although no significant variability was detected in a time scale of a day or shorter. TXS 0506+056 also showed a bluer-when-brighter trend in optical and near-infrared wavelengths. Structure functions of the variabilities were examined and indicate that TXS 0506+056 is not a special blazar in terms of optical variability. Polarization measurement results of TXS 0506+056 are also discussed.

(galaxies:) BL Lacertae objects: general↗
DOE OSTI2023

Finding simplicity: unsupervised discovery of features, patterns, and order parameters via shift-invariant variational autoencoders *

Abstract Recent advances in scanning tunneling and transmission electron microscopies (STM and STEM) have allowed routine generation of large volumes of imaging data containing information on the structure and functionality of materials. The experimental data sets contain signatures of long-range phenomena such as physical order parameter fields, polarization, and strain gradients in STEM, or standing electronic waves and carrier-mediated exchange interactions in STM, all superimposed onto scanning system distortions and gradual changes of contrast due to drift and/or mis-tilt effects. Correspondingly, while the human eye can readily identify certain patterns in the images such as lattice periodicities, repeating structural elements, or microstructures, their automatic extraction and classification are highly non-trivial and universal pathways to accomplish such analyses are absent. We pose that the most distinctive elements of the patterns observed in STM and (S)TEM images are similarity and (almost-) periodicity, behaviors stemming directly from the parsimony of elementary atomic structures, superimposed on the gradual changes reflective of order parameter distributions. However, the discovery of these elements via global Fourier methods is non-trivial due to variability and lack of ideal discrete translation symmetry. To address this problem, we explore the shift-invariant variational autoencoders (shift-VAEs) that allow disentangling characteristic repeating features in the images, their variations, and shifts that inevitably occur when randomly sampling the image space. Shift-VAEs balance the uncertainty in the position of the object of interest with the uncertainty in shape reconstruction. This approach is illustrated for model 1D data, and further extended to synthetic and experimental STM and STEM 2D data. We further introduce an approach for training shift-VAEs that allows finding the latent variables that comport to known physical behavior. In this specific case, the condition is that the latent variable maps should be smooth on the length scale of the atomic lattice (as expected for physical order parameters), but other conditions can be imposed. The opportunities and limitations of the shift VAE analysis for pattern discovery are elucidated.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Assessing subtle variations in the actinyl oxo reactivity through characterization of neptunyl complexes. Final Report

Formation of the actinyl cation, [An(V,VI)O 2 ] n+ (n = 1,2), imparts unique chemical properties to the lighter actinide elements (U, Np, and Pu) that has yet to be fully understood. The axial O atoms (oxo) of the [An(VI)O 2 ] 2+ are considered weak Lewis bases that exhibit only meager interact with other metal cations and regarded as poor hydrogen acceptors for nearby water molecules. Oxo atoms of [An(V)O 2 ] + should engage in stronger bonding interactions due to a higher degree of Lewis basicity, but the actual interactions have yet to be fully explored. Intermolecular interactions can impact radionuclide separations, corrosion of spent fuel, and mobility of actinides in environmental systems; there is, therefore, a critical need to understand how the subtle difference in electronic properties of the An(V) and An(VI) metal center influence actinyl chemistry. The objective of this proposal was to determine the chemical components that influence the intermolecular interactions occurring between neptunyl ([Np(V)O 2 ] + and [Np(VI)O 2 ] 2+ ) cations and neighboring species. My overall hypothesis was that the intermolecular attraction that occurs between the neptunyl oxo atoms and neighboring species (H atoms, low-valent cations, actinyl cations) is primarily controlled by the electronic properties of the actinyl cation, but can be further influenced by the electron donating properties of the equatorial ligands. The hypothesis was tested through the following research objectives: (1) Determine the fundamental differences in H-bonding between Np(V)O 2+ and Np(VI)O 2 2+ and neighboring donor molecules; (2) Identify the major differences in bonding between low-valence metal cations and neptunyl oxo groups, and (3) Assess the impact of the equatorial ligand on the formation of cation-cation interactions within molecular species. Major outcomes of the research include: (1) More precisely identifying oxo interactions (actinyl-cation; actinyl-actinyl, actinyl-hydrogen) and the factors that impact the vibrational modes for actinyl cation; (2) Identification of H-bonding modes for the [An(V,VI)O 2 ] n+ (n = 1,2), with direct H-bonding interactions to the oxo group of the Np(V)O 2+ cation more prevalent than in hexavalent species and recognition of the importance of H-bonding networks, that can impart bond asymmetry and activation of vibrational modes with the actinyl moiety; (3) Delineation of the importance of charge density for engaging the cation-oxo interaction for both pentavalent and hexavalent species; (4) Determining the importance of sterics and ligand binding in formation of specific actinyl-actinyl interactions and the resulting vibrational modes associated with this bonding motify and (5) Understanding how the functionalization of the ligand can impact redox stability of neptunyl cations. Deliverables from this work include 11 peer-reviewed manuscripts and 13 (including six by graduate students) oral/poster presentations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

LDRD Abbreviated report: High-Order General-Discrete-Ordinates Method Enabling Efficient Deterministic Transport in Hydrodynamic Simulations

Deterministic transport simulations for national-security and energy applications often operate in high-dimensional phase-space, where accuracy and cost both become major challenges. A common numerical artifact in such problems is the “ray-effect,” which appears as unphysical streaks. Beyond misinterpretation, these artifacts can contaminate tightly coupled physics, such as fluid dynamics, radiation-hydrodynamics, and laser-plasma interactions, eroding the predictive capability of entire multiphysics workflows. Our objective was to make high-dimension studies practical on modern hardware while mitigating the ray-effect without relying on prohibitively expensive sampling approaches such as Monte Carlo methods. We developed the Generic Discretization Library (GenDiL), a Graphics Processing Unit (GPU)-first framework that uses high-order Discontinuous Galerkin (DG) methods and matrix-free algorithms to reduce memory usage and improve computational efficiency, critical for phase-space simulations. GenDiL supports phase-space adaptivity in both mesh size and polynomial order (hp-adaptivity) to place resolution only where it is needed. A central capability is Local Dimensional Refinement (LDR), which couples lower-dimension continuum models to higher-dimension kinetic models through stable and conservative interfaces, so that high-fidelity physics is applied only in regions where it is essential. Building on the GenDiL framework, we developed the General SN (GSN) family of algorithms as a true generalization of the polar SN approach (discrete ordinates, often denoted SN). Rather than tying discrete ordinates to a specific polar change of coordinates, GSN formulates transport on an arbitrary change of coordinates chosen to reduce ray-effect. We studied two complementary variants: an analytic variant, where the coordinate map is prescribed in advance by a closed-form function; and a data-driven variant, where a quantity of interest, such as the net flux, guides the coordinate system. GenDiL provides the library infrastructure for efficient GPU execution, but the GSN concept is algorithmic and independent of any one library. Across representative high-dimension tests, including non-symmetric solutions, both variants delivered strong ray-effect mitigation at practical cost, moving four- to six-dimensional analysis toward repeatable, routine studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Griffin: A MOOSE-based reactor physics application for multiphysics simulation of advanced nuclear reactors

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor physics application for multiphysics simulations of advanced reactor designs jointly developed by Idaho National Laboratory and Argonne National Laboratory. This paper summarizes the motivation, significance, architecture, design, and features of Griffin. Griffin offers flexible and extensible features to address the challenges associated with advanced reactor designs. These features range from fundamental particle transport to specific reactor physics tasks. The features cover a wide range including on-the-fly and traditional two-step cross-section generation methods, steady-state and transient transport solvers suitable for both heterogeneous and homogeneous models, high-fidelity depletion where thousands of isotopes can be tracked and low-fidelity depletion characterized by burnup, etc. The most fundamental aspect that sets Griffin apart from other reactor analysis codes is that it is developed based on the MOOSE framework. A modular development approach is strongly enforced, with multiphysics being an essential element considered since the beginning of Griffin’s development. Griffin links various MOOSE physics modules and couples to other MOOSE-based applications and non-MOOSE-based applications for multiphyiscs simulations. Griffin includes three modules: ISOXML for preparing and managing multigroup cross sections, radiation transport for solving the neutron transport equation, and reactor analysis for user-oriented reactor physics analysis functionalities. Griffin uses various finite element methods for spatial discretization, multigroup approximation for energy discretization and discrete ordinates method, spherical harmonics expansion method, and diffusion approximation for streaming direction discretization to solve the neutron transport equation. Griffin’s flexibility is evidenced through Griffin’s various applications to fast reactor, high-temperature reactor, pebble bed reactor, molten salt reactor, and microreactor designs. Griffin development follows the software quality assurance procedure for MOOSE-based applications and with software requirements consistent with the ASME NQA-1 standard. Griffin has been adopted into the reactor analysis system for the U.S. NRC and is in use at U.S. companies, universities and national laboratories.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Study of a Proposed fissionTPC Measurement of 233 U(n,f)/ 235 U(n,f) Cross Section Ratio

A review of the available 233 U( n, f )/ 235 U( n, f ) cross section ratio data compared to the ENDF evaluation in the fast neutron energy range, 0.1–20 MeV, shows that discrepancies exist between some of the various measurements and the evaluation. The discrepancies vary and a function of incident neutron energy and range between 1–5%. In this document we review two potential options for performing new measurements of the cross section ratio to potentially resolve these discrepancies. The two options are compared and contrasted in terms of measurement accuracy and cost. The first option would utilize the fissionTPC, which was designed specifically to achieve measurement uncertainties of better than 1% to resolve a similar data–evaluation discrepancy in the 239 Pu( n, f ) cross section. While this would seem to be an ideal option in this case also, there are challenges. The fissionTPC is a complex instrument and the cost of maintenance and operations are significant. Furthermore, some of the fissionTPC equipment is nearing the end of its useful life which presents a risk to completion of a measurement campaign. The second option is to use a dual-fission chamber, which is the more traditional approach to these types of measurements. The cost is estimated to be about half that of a fissionTPC measurement, while the much simpler design of the detector reduces overall risk. The trade-off is the measurement uncertainty, which would be on order of 1–3% with a careful measurement and analysis. This uncertainty however may not be good enough to fully resolve the discrepancies. The objective of a new measurement would be the improvement in the ENDF evaluation with the end goal of improving the accuracy of models and simulations at the end of the nuclear data pipeline. An understanding of the sensitivity of these models to the data uncertainties would help guide the choice of measurement techniques.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Environmental and socio-economic Pareto-front trade-off analysis of U.S. PET packaging material in a circular economy

Various recycling technologies are emerging to implement circular economy in plasticssupply chain systems. However, the environmental and socio-economic trade-offs of in circular economy are not well understood at a systems level. Particularly, quantifying these trade-offs as a function of end-of-life (EOL) management decisions, including transition of recycling technologies, systems level metrics such as circularity, recycled content, and the need for fossil-derived plastics are not well understood. Here, the present study addressed these research gaps by applying a systems analysis modeling approach that utilizes material flow analysis, life cycle assessment, socioeconomic data, and system optimization techniques for polyethylene terephthalate (PET) packaging supply chains in the United States. Pareto-front trade-offs between conflicting environmental and socio-economic impacts as well as those between socioeconomic impacts and circularity were explored using the epsilon constraint method. The Pareto-front trade-off analysis revealed the transition of EOL management strategies for PET packaging systems, including changes in selection of recycling technologies, to aid decision making process by quantifying studied system metrics. Transitioning from environmentally optimal to socio-economically optimal systems led to increased employment (by 17%), wages (by 26%), and revenues (by 6%) but also led to increased global warming potential (GWP; by 65%), energy consumption (by 59%), and reliance on fossil PET in the system (by 78%). Finally, the results show that there is not a unique set of recycling technologies to achieve a sustainable circular economy of PET packaging system, instead it depends on the decision maker’s objectives and targeted metrics of the system.

54 - ENVIRONMENTAL SCIENCES/GLOBAL CLIMATE CHANGE ↗
DOE OSTI2023

Planting a Lyman alpha forest on ABACUSSUMMIT

The full-shape correlations of the Lyman alpha (Ly$α$) forest contain a wealth of cosmological information through the Alcock Paczynski effect. However, these measurements are challenging to model without robustly testing and verifying the theoretical framework used for analyzing them. Here, we leverage the accuracy and volume of the $N$-body simulation suite ABACUSSUMMIT to generate high-resolution Ly$α$ skewers and quasi-stellar object (QSO) catalogs. One of the main goals of our mocks is to aid in the full-shape Ly$α$ analysis planned by the Dark Energy Spectroscopic Instrument (DESI) team. We provide optical depth skewers for six of the fiducial cosmology base-resolution simulations ($L$ box = 2 $h$ -1 Gpc, $N$ = 6912 3 ) at $z$ = 2.5. We adopt a simple recipe based on the Fluctuating Gunn-Peterson Approximation (FGPA) for constructing these skewers from the matter density in an $N$-body simulation and calibrate it against the 1D and 3D Ly$α$ power spectra extracted from the hydrodynamical simulation IllustrisTNG (TNG; $L$ box = 205 $h$ -1 Mpc, $N$ = 2500 3 ). As an important application, we study the non-linear broadening of the baryon acoustic oscillation (BAO) peak and show the cross-correlation between DESI-like QSOs and our Ly$α$ forest skewers. We find differences on small scales between the Kaiser approximation prediction and our mock measurements of the Ly$α$×QSO cross-correlation, which would be important to account for in upcoming analyses. The ABACUSSUMMIT Ly$α$ forest mocks open up the possibility for improved modelling of cross correlations between Ly$α$ and cosmic microwave background (CMB) lensing and Ly$α$ and QSOs, and for forecasts of the 3-point Ly$α$ correlation function. Furthermore, our catalogues and skewers are publicly available on Globus via the National Energy Research Scientific Computing Center (NERSC) (full link under Data Availability).

79 ASTRONOMY AND ASTROPHYSICS↗