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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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DOE OSTI2013

Health Code Number (HCN) Development Procedure

This report provides the detailed description of health code numbers (HCNs) and the procedure of how each HCN is assigned. It contains many guidelines and rationales of HCNs. HCNs are used in the chemical mixture methodology (CMM), a method recommended by the department of energy (DOE) for assessing health effects as a result of exposures to airborne aerosols in an emergency. The procedure is a useful tool for proficient HCN code developers. Intense training and quality assurance with qualified HCN developers are required before an individual comprehends the procedure to develop HCNs for DOE.

chemical mixture methodology↗
DOE OSTI2014

The deflagration stage of Chandrasekhar mass models for type Ia supernovae. I. Early evolution

We present high-resolution, full-star simulations of the post-ignition phase of Type Ia supernovae using the compressible hydrodynamics code Castro. Initial conditions, including the turbulent velocity field and ignition site, are imported directly from a simulation of the last few hours of presupernova convection using a low Mach number code, Maestro. Adaptive mesh refinement allows the initial burning front to be modeled with an effective resolution of 36,864{sup 3} zones (136 m zone{sup –1}). The initial rise and expansion of the deflagration front are tracked until burning reaches the star's edge and the role of the background turbulence on the flame is investigated. The effect of artificially moving the ignition location closer to the star's center is explored. The degree to which turbulence affects the burning front decreases with increasing ignition radius since the buoyancy force is stronger at larger radii. Even central ignition—in the presence of a background convective flow field—is rapidly carried off-center as the flame is carried by the flow field. We compare our results to analytic models for burning thermals, and find that they reproduce the general trends of the bubble's size and mass, but underpredict the amount of buoyant acceleration due to simplifying assumptions of the bubble's properties. Overall, we find that the amount of mass that burns prior to flame break out is small, consistent with a gravitationally confined detonation' occurring at a later epoch, but additional burning will occur following breakout that may modify this conclusion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

HIGH-RESOLUTION SIMULATIONS OF CONVECTION PRECEDING IGNITION IN TYPE Ia SUPERNOVAE USING ADAPTIVE MESH REFINEMENT

We extend our previous three-dimensional, full-star simulations of the final hours of convection preceding ignition in Type Ia supernovae to higher resolution using the adaptive mesh refinement capability of our low Mach number code, MAESTRO. We report the statistics of the ignition of the first flame at an effective 4.34 km resolution and general flow field properties at an effective 2.17 km resolution. We find that off-center ignition is likely, with radius of 50 km most favored and a likely range of 40-75 km. This is consistent with our previous coarser (8.68 km resolution) simulations, implying that we have achieved sufficient resolution in our determination of likely ignition radii. The dynamics of the last few hot spots preceding ignition suggest that a multiple ignition scenario is not likely. With improved resolution, we can more clearly see the general flow pattern in the convective region, characterized by a strong outward plume with a lower speed recirculation. We show that the convective core is turbulent with a Kolmogorov spectrum and has a lower turbulent intensity and larger integral length scale than previously thought (on the order of 16 km s{sup -1} and 200 km, respectively), and we discuss the potential consequences for the first flames.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Nyx: A Massively Parallel AMR Code for Computational Cosmology

Nyx is a highly parallel, adaptive mesh, finite-volume N-body compressible hydrodynamics solver for cosmological simulations. It has been used to simulate different cosmological scenarios with a recent focus on the intergalactic medium and Lyman alpha forest. Together, Nyx, the compressible astrophysical simulation code, Castro, and the low Mach number code MAESTROeX, make up the AMReX-Astrophysics Suite of open-source, adaptive mesh, performance-portable astrophysical simulation codes. Other examples of cosmological simulation research codes include Enzo, Enzo-P/Cello, RAMSES, ART, FLASH, Cholla, as well as Gadget, Gasoline, Arepo, Gizmo, and SWIFT.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Summer 2012 Testing and Analysis of the Chemical Mixture Methodology – Part I

This report presents the key findings made by the Chemical Mixture Methodology (CMM) project team during the first stage of their summer 2012 testing and analysis of the CMM. The study focused on answering the following questions: • What is the percentage of the chemicals in the CMM Rev 27 database associated with each Health Code Number (HCN)? How does this result influence the relative importance of acute HCNs and chronic HCNs in the CMM data set? • What is the benefit of using the HCN-based approach? Which Modes of Action and Target Organ Effects tend to be important in determining the HCN-based Hazard Index (HI) for a chemical mixture? • What are some of the potential issues associated with the current HCN-based approach? What are the opportunities for improving the performance and/or technical defensibility of the HCN-based approach? How would those improvements increase the benefit of using the HCN-based approach? • What is the Target Organ System Effect approach and how can it be used to improve upon the current HCN-based approach? How does the benefits users would derive from using the Target Organ System Approach compare to the benefits available from the current HCN-based approach? All key research activities were conducted by research interns under the direction and mentorship of PNNL research staff.

chemical mixture methodology↗
DOE OSTI2013

Enhancing the Chemical Mixture Methodology in Emergency Preparedness and Consequence Assessment

Emergency preparedness personnel at US Department of Energy (DOE) facilities use the chemical mixture methodology (CMM) to estimate the potential health impacts to workers and the public from the unintended airborne release of chemical mixtures. The CMM uses a Hazard Index (HI) to compare a chemical’s concentration at a receptor location to an appropriate concentration limit for that chemical. This limit is typically based on Protection Action Criteria (PAC) values developed and published by the DOE. As a first cut, the CMM sums the HIs for all the chemicals in a mixture to conservatively estimate their combined health impact. A cumulative HI ≥ 1.0 represents a concentration at or exceeding the concentration limit and indicates the potential for adverse health effects. Next, health code numbers (HCNs) are used to identify the target organ sets that may be impacted by exposure to each chemical in a mixture. The sum of the HIs for the maximally impacted target organ set is used to provide a refined, though still conservative estimate, of the potential for adverse health effects from exposure to the chemical mixture. This paper explores approaches to further enhance the effectiveness of the CMM by using HCN weighting factors to reduce over-conservatism. A series of 24 case studies have been defined to evaluate both the existing CMM and three new approaches for improving the CMM. The first approach uses a set of HCN weighting factors that are applied based on the priority ranking of the HCNs for each chemical. The second approach uses weighting factors based on the priority rankings of the HCNs established for a given type of concentration limit. The third approach uses information on the exposure route used to derive PAC values and the second approach’s HCN ranking to derive and apply its HCN weighting factors. Initial testing indicates that applying weighting factors reduces the over-conservatism in the CMM for certain types of chemical mixtures, though care must be taken to avoid introducing non-conservative results. In the near future, additional testing and analysis will be conducted that will lead to the adoption of one of the tested approaches into the CMM. The long-term goal is to develop and implement a more comprehensive approach that will take into account the specific health effects that were observed during the studies used to derive the chemical-specific concentration limits used in the CMM.

acute health effects↗
DOE OSTI2013

ENERGY CONSERVATION AND GRAVITY WAVES IN SOUND-PROOF TREATMENTS OF STELLAR INTERIORS. II. LAGRANGIAN CONSTRAINED ANALYSIS

The speed of sound greatly exceeds typical flow velocities in many stellar and planetary interiors. To follow the slow evolution of subsonic motions, various sound-proof models attempt to remove fast acoustic waves while retaining stratified convection and buoyancy dynamics. In astrophysics, anelastic models typically receive the most attention in the class of sound-filtered stratified models. Generally, anelastic models remain valid in nearly adiabatically stratified regions like stellar convection zones, but may break down in strongly sub-adiabatic, stably stratified layers common in stellar radiative zones. However, studying stellar rotation, circulation, and dynamos requires understanding the complex coupling between convection and radiative zones, and this requires robust equations valid in both regimes. Here we extend the analysis of equation sets begun in Brown et al., which studied anelastic models, to two types of pseudo-incompressible models. This class of models has received attention in atmospheric applications, and more recently in studies of white-dwarf supernova progenitors. We demonstrate that one model conserves energy but the other does not. We use Lagrangian variational methods to extend the energy conserving model to a general equation of state, and dub the resulting equation set the generalized pseudo-incompressible (GPI) model. We show that the GPI equations suitably capture low-frequency phenomena in both convection and radiative zones in stars and other stratified systems, and we provide recommendations for converting low-Mach number codes to this equation set.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

LOW MACH NUMBER MODELING OF CORE CONVECTION IN MASSIVE STARS

This work presents three-dimensional simulations of core convection in a 15 M{sub Sun} star halfway through its main sequence lifetime. To perform the necessary long-time calculations, we use the low Mach number code MAESTRO, with initial conditions taken from a one-dimensional stellar model. We first identify several key factors that the one-dimensional initial model must satisfy to ensure efficient simulation of the convection process. We then use the three-dimensional simulations to examine the effects of two common modeling choices on the resulting convective flow: using a fixed composition approximation and using a reduced domain size. We find that using a fixed composition model actually increases the computational cost relative to using the full multi-species model because the fixed composition system takes longer to reach convection that is in a quasi-static state. Using a reduced (octant rather than full sphere) simulation domain yields flow with statistical properties that are within a factor of two of the full sphere simulation values. Both the octant and full sphere simulations show similar mixing across the convection zone boundary that is consistent with the turbulent entrainment model. However, the global character of the flow is distinctly different in the octant simulation, showing more rapid changes in the large-scale structure of the flow and thus a more isotropic flow on average.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

EAGLE-I County Customer Dataset Fall 2025

This dataset provides a combination of modeled and collected county-level electric customer counts derived from 2023 EIA-861 utility customer data, 2021 HIFLD electric retail service territory boundaries, 2021 LandScan population estimates, and 2025 EAGLE-I customer outages. The dataset details county FIPS code, number of customers, and customer type (modeled, collected, mixed). Outage data in included for all 50 U.S. states, Puerto Rico, and the District of Columbia (excluding other U.S. territories).

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2012

Enhancing the Benefit of the Chemical Mixture Methodology: A Report on Methodology Testing and Potential Approaches for Improving Performance

Extensive testing shows that the current version of the Chemical Mixture Methodology (CMM) is meeting its intended mission to provide conservative estimates of the health effects from exposure to airborne chemical mixtures. However, the current version of the CMM could benefit from several enhancements that are designed to improve its application of Health Code Numbers (HCNs) and employ weighting factors to reduce over conservatism.

chemical mixture methodology↗
DOE OSTI2013

Process Knowledge Summary Report for Advanced Test Reactor Complex Contact-Handled Transuranic Waste Drum TRA010029

This Process Knowledge Summary Report summarizes information collected to satisfy the transportation and waste acceptance requirements for the transfer of one drum containing contact-handled transuranic (TRU) actinide standards generated by the Idaho National Laboratory at the Advanced Test Reactor (ATR) Complex to the Advanced Mixed Waste Treatment Project (AMWTP) for storage and subsequent shipment to the Waste Isolation Pilot Plant for final disposal. The drum (i.e., Integrated Waste Tracking System Bar Code Number TRA010029) is currently stored at the Materials and Fuels Complex. The information collected includes documentation that addresses the requirements for AMWTP and applicable sections of their Resource Conservation and Recovery Act permits for receipt and disposal of this TRU waste generated from ATR. This Process Knowledge Summary Report includes information regarding, but not limited to, the generation process, the physical form, radiological characteristics, and chemical contaminants of the TRU waste, prohibited items, and packaging configuration. This report, along with the referenced supporting documents, will create a defensible and auditable record for this TRU waste originating from ATR.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2026

On the Importance of the Convective Urca Process in 3D Simulations of a Simmering White Dwarf

Type Ia supernovae are bright thermonuclear explosions that are important to numerous areas of astronomy. However, the origins of these events are poorly understood. One proposed setting is that of a near Chandrasekhar mass white dwarf that undergoes runaway carbon burning in the core. During the thousand years leading up to the explosion, the white dwarf undergoes a simmering phase where slow carbon burning heats the core and drives convection. A poorly understood aspect of this phase is the convective Urca process, which links convection with weak nuclear reactions. We use the low Mach number code MAESTROeX to perform full 3D simulations as is required to accurately capture the turbulent convection. We present simulations with and without the A=23 convective Urca process, which have relaxed to a steady state. We characterize the effects of the convective Urca process on the neutrino losses, the nuclear energy generation, and the convective boundary. We find that the size of the convection zone is substantially reduced by the convective Urca process, though convection still extends past the Urca shell. Our findings on the structure of the convective zone and the compositional changes can be used to inform 1D stellar models that track the longer-timescale evolution.

FOS: Physical sciences↗
DOE OSTI2023

PeleLMeX: an AMR Low Mach Number Reactive Flow Simulation Code without level sub-cycling

PeleLMeX simulates chemically reacting low Mach number flows with block-structured adaptive mesh refinement (AMR). The code is built upon the AMReX library, which provides the underlying data structures and tools to manage and operate on them across massively parallel computing architectures. PeleLMeX algorithmic features are inherited from its predecessor PeleLM but key improvements allow representation of more complex physical processes. Together with its compressible flow counterpart PeleC, the thermo-chemistry library PelePhysics and the multi-physics library PeleMP, it forms the Pele suite of open-source reactive flow simulation codes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Micromagnetic Code Development of Advanced Magnetic Structures Final Report CRADA No. TC-1561-98

The specific goals of this project were to: Further develop the previously written micromagnetic code DADIMAG (DOE code release number 980017); Validate the code. The resulting code was expected to be more realistic and useful for simulations of magnetic structures of specific interest to Read-Rite programs. We also planned to further the code for use in internal LLNL programs. This project complemented LLNL CRADA TC-840-94 between LLNL and Read-Rite, which allowed for simulations of the advanced magnetic head development completed under the CRADA. TC-1561-98 was effective concurrently with LLNL non-exclusive copyright license (TL-1552-98) to Read-Rite for DADIMAG Version 2 executable code.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Mass transfer effects in a gasification riser

In the development of multiphase reacting computational fluid dynamics (CFD) codes, a number of simplifications were incorporated into the codes and models. One of these simplifications was the use of a simplistic mass transfer correlation for the faster reactions and omission of mass transfer effects completely on the moderate speed and slow speed reactions such as those in a fluidized bed gasifier. Another problem that has propagated is that the mass transfer correlation used in the codes is not universal and is being used far from its developed bubbling fluidized bed regime when applied to circulating fluidized bed (CFB) riser reactors. These problems are true for the major CFD codes. To alleviate this problem, a mechanistic based mass transfer coefficient algorithm has been developed based upon an earlier work by Breault et al. This fundamental approach uses the local hydrodynamics to predict a local, time varying mass transfer coefficient. The predicted mass transfer coefficients and the corresponding Sherwood numbers agree well with literature data and are typically about an order of magnitude lower than the correlation noted above. The incorporation of the new mass transfer model gives the expected behavior for all the gasification reactions evaluated in the paper. At the expected and typical design values for the solid flow rate in a CFB riser gasifier an ANOVA analysis has shown the predictions from the new code to be significantly different from the original code predictions. The new algorithm should be used such that the conversions are not over predicted. Additionally, its behaviors with changes in solid flow rate are consistent with the changes in the hydrodynamics.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2016

LOW MACH NUMBER MODELING OF CONVECTION IN HELIUM SHELLS ON SUB-CHANDRASEKHAR WHITE DWARFS. II. BULK PROPERTIES OF SIMPLE MODELS

The dynamics of helium shell convection driven by nuclear burning establish the conditions for runaway in the sub-Chandrasekhar-mass, double-detonation model for SNe Ia, as well as for a variety of other explosive phenomena. We explore these convection dynamics for a range of white dwarf core and helium shell masses in three dimensions using the low Mach number hydrodynamics code MAESTRO. We present calculations of the bulk properties of this evolution, including time-series evolution of global diagnostics, lateral averages of the 3D state, and the global 3D state. We find a variety of outcomes, including quasi-equilibrium, localized runaway, and convective runaway. Our results suggest that the double-detonation progenitor model is promising and that 3D dynamic convection plays a key role.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Clinical knowledge extraction via sparse embedding regression (KESER) with multi-center large scale electronic health record data

The increasing availability of electronic health record (EHR) systems has created enormous potential for translational research. However, it is difficult to know all the relevant codes related to a phenotype due to the large number of codes available. Traditional data mining approaches often require the use of patient-level data, which hinders the ability to share data across institutions. In this project, we demonstrate that multi-center large-scale code embeddings can be used to efficiently identify relevant features related to a disease of interest. We constructed large-scale code embeddings for a wide range of codified concepts from EHRs from two large medical centers. We developed knowledge extraction via sparse embedding regression (KESER) for feature selection and integrative network analysis. We evaluated the quality of the code embeddings and assessed the performance of KESER in feature selection for eight diseases. Besides, we developed an integrated clinical knowledge map combining embedding data from both institutions. The features selected by KESER were comprehensive compared to lists of codified data generated by domain experts. Features identified via KESER resulted in comparable performance to those built upon features selected manually or with patient-level data. The knowledge map created using an integrative analysis identified disease-disease and disease-drug pairs more accurately compared to those identified using single institution data. Analysis of code embeddings via KESER can effectively reveal clinical knowledge and infer relatedness among codified concepts. KESER bypasses the need for patient-level data in individual analyses providing a significant advance in enabling multi-center studies using EHR data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2015

Recommended Practices for the Safe Design and Operation of Flywheels

Flywheel energy storage systems are in use globally in increasing numbers . No codes pertaining specifically to flywheel energy storage exist. A number of industrial incidents have occurred. This protocol recommends a technical basis for safe flywheel de sign and operation for consideration by flywheel developers, users of flywheel systems and standards setting organizations.

25 ENERGY STORAGE↗