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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Thermomechanical Stress and Creep-Fatigue Analysis of a High-Temperature Prototype Receiver for Heating Particles

This work presents a three-dimensional (3D) thermomechanical model of a prototype-scale enclosed light trapping solar receiver for heating particles. Results of the thermoelastic model are used to estimate receiver lifetime under maximum flux conditions. A computational fluid dynamics (CFD) model is first developed to predict the temperature fields in a multi-panel assembly under steady operating conditions. Solar flux distributions on the receiver are obtained from the software package SolTrace and applied to the 3D thermal model. The subsequent particle heating is captured through a simplified 1D energy balance. Panel reradiation is considered through a surface-to-surface radiation model and natural convection loss to the surrounding air is captured in a representative fluid domain surrounding the receiver. The resulting temperature fields from the CFD analysis are used as inputs for a thermoelastic mechanical model with representative boundary conditions. With the resultant temperature and stress fields, a creep-fatigue damage and lifetime analysis is performed using the linear damage accumulation (LDA) theory. The Manson-Coffin formula and Larson Miller correlation are used to calculate the fatigue and creep, respectively. A maximum damage (corresponding to a 30-year service life) is defined for design assessment. The model was first developed and verified in detail by comparing with published results in the literature (temperature and stress profiles and distributions, and creep/fatigue damage fractions) for tubular solar receivers with supercritical carbon dioxide as the working fluid. It was then implemented to model a planar-cavity receiver with various design parameters. Specifically, three different design geometries are considered, and the results show that a maximum temperature of approximately 1200 K could be reached for each design with the given incident solar flux, with the main difference being the distribution of these temperatures. Preliminary resulting stresses for the small-scale prototype without design optimization vary from 20 MPa to 250 MPa for each design, with the maximum stresses occurring on the front face and concave geometry on the side of the panel. In future work, the developed methodology shown here will be applied to analyze a full-scale (50-150 MWth) receiver.

concentrated solar power↗
DOE OSTI2025

Operation at Reduced Atmospheric Pressure and Concept of Reliability Redundancy for Optimized Design of Insulation Systems

Electrified transportation is calling for insulation design criteria that is adequate to provide elevated levels of power density, power dynamics and reliability. Increasing voltage levels are expected to cause accelerated intrinsic and extrinsic aging effects which will not be easily predictable at the design stage due to a lack of suitable modeling. Designing reliable insulation systems would require finding solutions able to control accelerated aging due to an unpredictable increase of intrinsic stresses and the onset of extrinsic stresses as partial discharges. This paper proposes the concept of reliability redundancy for the insulation design of aerospace electrical asset components, which is also validated at lower-than-standard atmospheric pressure. The principle is that extrinsic-aging-free design might be achieved upon determining the aging stress or abnormal service stresses distribution and being sure that aging will not generate conditions that can incept extrinsic aging (partial discharges) during operation life. However, such information is never, in practice, fully available to insulation system designers. Hence, especially in critical applications such as electrified aircraft, aerospace, and combat ships a further level of reliability should be added to a partial-discharge-free design, which can consist of the use of corona-resistant materials and/or of life models able to consider the accelerated aging effect of partial discharges (or any other type of extrinsic-accelerated aging factor). Innovative life modeling considering both extrinsic and intrinsic aging stresses, insulating material testing to estimate model parameters, and a metric for quantifying the extent of corona (or partial discharge) resistance can lead to establishing feasibility and limit conditions for optimized or fully reliability-redundant design. It is shown in the paper that if an extrinsic-aging-free design is not feasible, and it is therefore replaced by a redundant design, a further level of reliability redundancy can be provided by effective condition monitoring plans.

Montanari, Gian Carlo↗
DOE OSTI2015

A FULL STUDY ON THE SUN–EARTH CONNECTION OF AN EARTH-DIRECTED CME MAGNETIC FLUX ROPE

We present an investigation of an eruption event of a coronal mass ejection (CME) magnetic flux rope (MFR) from the source active region (AR) NOAA 11719 on 2013 April 11 utilizing observations from the Solar Dynamic Observatory, the Solar Terrestrial Relations Observatory, the Solar and Heliospheric Observatory, and the WIND spacecraft. The source AR consists of a pre-existing sigmoidal structure stacked over a filament channel which is regarded as an MFR system. EUV observations of low corona suggest further development of this MFR system by added axial flux through tether-cutting reconnection of loops at the middle of the sigmoid under the influence of continuous slow flux motions for two days. Our study implies that the MFR system in the AR is initiated to upward motion by kink instability and further driven by torus instability. The CME morphology, captured in simultaneous three-point coronagraph observations, is fitted with a Graduated Cylindrical Shell (GCS) model and discerns an MFR topology with its orientation aligning with a magnetic neutral line in the source AR. This MFR expands self-similarly and is found to have source AR twist signatures in the associated near-Earth magnetic cloud (MC). We further derived the kinematics of this CME propagation by employing a plethora of stereoscopic as well as single-spacecraft reconstruction techniques. While stereoscopic methods perform relatively poorly compared to other methods, fitting methods worked best in estimating the arrival time of the CME compared to in situ measurements. Supplied with the values of constrained solar wind velocity, drag parameter, and three-dimensional kinematics from the GCS fit, we construct CME kinematics from the drag-based model consistent with in situ MC arrival.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

NPP Simulators for Coupled Thermal and Electric Power Dispatch

The Light Water Reactor Sustainability (LWRS) program within the United States Department of Energy supports extending the operation of the U.S. commercial nuclear power plant (NPP) fleet. Within the LWRS program, the Flexible Plant Operation and Generation (FPOG) Pathway works to diversify the revenue streams of light water reactors (LWRs) by opening opportunities for the co-generation of non-electric products in addition to supplying electrical power to the grid. Recent events have added greater motivation to these efforts. For example, the recent Inflation Reduction Act (IRA) passed by the U.S. federal government offers substantial tax incentives for producing clean hydrogen, the technology readiness level of dispatchable and high-efficiency hydrogen production has dramatically increased in a short time, and societal response to world climate change is driving a transition away from fossil fuels. Producing hydrogen with maximum efficiency using nuclear power requires dispatching both electrical and thermal power from the nuclear plant to the hydrogen plant, so testing concepts of operations for combined electrical and thermal power dispatch (TPD) from an NNP to a hydrogen plant is of interest. This report documents achievement of the Light Water Reactor Sustainability (LWRS) program milestone “Install and demonstrate a vendor-developed simulator on the Human Systems Simulation Laboratory (HSS) for dispatch of LWR electrical power to a close-coupled electrolysis plant” with a due date of Dec. 22, 2022. Several factors provide motivation for this effort. Coupling the power generation deck of a nuclear power plant to a hydrogen production facility introduces new possibilities for operational transients that must be addressed. In particular, the performance of the integrated system during startup and shutdown of the hydrogen production facility, as well as offnormal conditions, need to be evaluated to ensure there are no adverse effects on the operation of the existing NPP. The concept of operations involving the NPP, the hydrogen plant, and the electric power grid must be tested using NPP simulators and operating procedures that have been modified for TPD operations. These tests must also include dynamic simulations of the coupled tertiary thermal and electric loads as well as coordinated activities with NPP operators, tertiary load operators and grid power coordinators. The report summarizes progress in developing and testing full-scope NPP simulators at the HSSL, including a generic BWR simulator from GSE Systems, Inc. and generic PWR simulator from Westinghouse. In the case of the TPD-GBWR Simulator from GSE Systems, Inc., a BWR is thermally coupled to a high temperature electrolysis (HTE) plant that produces hydrogen and oxygen from de-ionized water. The hydrogen plant is not explicitly simulated but only included as a transient heat sink. A thermal power dispatch (TPD) system transfers heat between the steam systems at the BWR and the hydrogen plant. Operational results from two versions of the modified simulator are presented. The first version uses synthetic oil as a heat transfer fluid in a closed delivery heat loop (DHL) that generates steam at the hydrogen plant. The second version uses steam as the heat transfer fluid in a delivery steam line (DSL) to provide steam to the hydrogen plant. For both versions, the estimated thermal power delivery distance is approximately one kilometer. The amount of thermal power dispatched in the simulators is 15% of the total reactor thermal power such that the simulators provide a tool to study the feasibility of coupling a BWR to industrial processes that benefit from a combination electrical and thermal power dispatch. Ongoing work within a CRADA is also developing a full-scope PWR simulator provided by Westinghouse for both thermal and electric power coupling. This simulator is based on a PWR plant with two three-loop Westinghouse reactors. Westinghouse PWRs are sufficiently similar that a simulator of a three-loop reactor is an appropriate representation for two-loop and four-loop PWR reactors. The three-loop simulator will initially be modified for close-coupling to a 100 MW HTE hydrogen production plant that will require approximately 25 MW of thermal power while operating at its maximum rated capacity. The simulator testing will include full coupling to dynamic simulations of a hydrogen production plant and a representative bulk electric grid. The simulator provided by Westinghouse is similar to the GPWR simulator that INL has already obtained from GSE Systems but has a few important added benefits. First, the Westinghouse simulator is based on digital controls and has additional screens that can be called up to show parameter trends to assist operators in decision-making. The Westinghouse simulator also has upgrades to the controls and hardware representations, such as valve actuators, that make it more realistic and flexible in terms of accurately sim

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Multifidelity Approach to Sensitivity Estimation in Large-Eddy Simulation

A novel approach to compute affordable approximate sensitivities in a large-eddy simulation (LES) is proposed and assessed. The approach is based on solving a Reynolds-averaged Navier–Stokes (RANS) problem that has been linearized around the mean LES solution, with closure modeling required for the linearized changes in turbulent Reynolds stresses. In the present study, the closure modeling is based on a linearized algebraic turbulence model. The method is assessed for the flow over a NACA0012 airfoil at a fixed angle of attack, with the Reynolds number as the variable parameter. The results show that, provided an accurate linearized closure model, the method predicts the correct sensitivity of the skin friction coefficient and the mean velocity field at the cost of a linearized RANS, which provides an important proof-of-concept for this approach. Here, the linearized algebraic turbulence model with standard model coefficients produces a reasonably accurate sensitivity, but the results also suggest that accuracy could be gained from recalibrating the model coefficients for this new use of the model.

42 ENGINEERING↗
DOE OSTI2017

Shock-Driven Hydrodynamic Instability Growth Near Phase Boundaries and Material Property Transitions: Final Report

Activities for this grant included: 1) Development of dynamic impact experiments to probe strength and phase transition influence on dynamic deformation, 2) development of modern strength and phase aware simulation capabilities, 3) and post-processing of experimental data with simulation and closed form analytical techniques. Two different dynamic experiments were developed to probe material strengths in solid metals (largely copper and iron in this effort). In the first experiment a flyer plate impacts a flat target with an opposite rippled surface that is partially supported by a weaker window material. Post mortem analysis of the target sample showed a strong and repeatable residual plastic deformation dependence on grain orientation. Yield strengths for strain rates near 10 5 s -1 and plastic strains near ~50% were estimated to be around 180 to 240 MPa, varying in this range with grain orientation. Unfortunately dynamic real-time measurements were difficult with this setup due to diagnostic laser scattering; hence, an additional experimental setup was developed to complement these results. In the second set of experiments a rippled surface was ablated by a controlled laser pulsed, which launched a rippled shock front to an opposite initially flat diagnostic surface that was monitored in real-time with spatially resolved velocimetry techniques, e.g., line VISAR in addition to Transient Imaging Displacement Interferometry (TIDI) displacement measurements. This setup limited the displacements at the diagnostic surface to a reasonable level for TIDI measurements (~ less than one micrometer). These experiments coupled with analytical and numerical solutions provided evidence that viscous and elastic deviatoric strength affect shock front perturbation evolution in clearly different ways. Particularly, normalized shock front perturbation amplitudes evolve with viscosity (η) and perturbation wavelength (λ) as η/λ, such that increasing viscosity (or decreasing the initial wavelength) delays the perturbation decay. Conversely our experimental data, analysis and simulations show that for materials with elastic yield strength Y the normalized shock perturbation amplitude evolves with Yλ/A 0 , which shows wavelength increases have the opposite effect as in viscous materials and perturbation decay is also dependent on initial amplitude A 0 (viscous materials are independent of this parameter). Materials where strength had clear strain rate dependence, e.g., such as a PTW material law, behaved similarly to materials with only an effective yield stress (elastic-perfectly plastic) in the shock front perturbation studies obeying a Y eff λA 0 relationship where Y eff was a constant (near ~400 MPa for Cu for strain rates around 10 6 s -1 ). Magnitude changes in strain rate would increase Y eff as would be expected from the PTW behavior, but small perturbations (typical of regions behind the shock front) near a mean had little effect. Additional work based on simulations showed that phase transformation kinetics can affect the behavior of the perturbed shock front as well as the evolution of the RM-like instability that develops due to the imprint of the perturbed shock front on the initially flat surface as the shock breaks out.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Extension of the ADAPT Framework for Multiple Simulators

Probabilistic Risk Assessment (PRA) uses fault tree/event tree analysis to evaluate the environmental impacts of nuclear power plants due to internal or external initiating events. In a fault tree, basic failure events are assembled using primarily And/Or logic to determine the combinations of failures that lead to failure of the system as a whole. An event tree is forward-facing, and begins with a single initiating event. From there the analysis considers what event may occur next, and branches out among the possible configurations of occurrence and non-occurrence of that event. This branching continues until end states are reached. End states may include a safe and stable configuration of the plant, or any number of differing failure states. Both fault and event trees require basic event probabilities as inputs to provide insight on the likelihood of different outcomes. PRA has been applied to nuclear power plants as an analysis tool since the 1975 Reactor Safety Study. In a traditional PRA, the order of events is prescribed by the analyst and each event is typically a binary aleatory uncertainty: occurrence or non-occurrence. Discrete dynamic event tree (DDET) analysis eliminates this subjectivity in ordering of events by using the output of a dynamic system model (simulator) to inform the branching. Branching conditions are triggered by the existence of a relevant plant state in the code, and therefore only occur as physically appropriate. The DDET approach also allows consideration of both epistemic and aleatory uncertainties on a phenomenologically and stochastically consistent platform. One limitation of the DDET driver codes developed to date (namely ADAPT, ADS, and MCDET ) is that the tree is driven by a single simulator. The goal of this work is a general multi-simulator driver. This limits the parameter space that may be explored in a single DDET to that which may be covered by a single simulator. In this work, the Analysis of Dynamic Accident Progression Trees (ADAPT) code is extended to support multiple arbitrary simulators. This capability will increase the depth and breadth of phenomena that may be analyzed in a single DDET. For example, a large-scale system code may pass the analysis to a more detailed code if certain conditions are met, in order to capture relevant phenomena that would be lost if only the system code were to be used. In addition, the time required to cover a given uncertainty space may be reduced by dynamically identifying and running only the situations that are appropriate given the plant conditions in each simulator. The use of multiple simulators is expected to further reduce subjectivity in PRA by enabling high fidelity modeling of reality. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

The trends high-contrast imaging survey. VI. Discovery of a mass, age, and metallicity benchmark brown dwarf

The mass and age of substellar objects are degenerate parameters leaving the evolutionary state of brown dwarfs ambiguous without additional information. Theoretical models are normally used to help distinguish between old, massive brown dwarfs and young, low-mass brown dwarfs but these models have yet to be properly calibrated. We have carried out an infrared high-contrast imaging program with the goal of detecting substellar objects as companions to nearby stars to help break degeneracies in inferred physical properties such as mass, age, and composition. Rather than using imaging observations alone, our targets are pre-selected based on the existence of dynamical accelerations informed from years of stellar radial velocity (RV) measurements. In this paper, we present the discovery of a rare benchmark brown dwarf orbiting the nearby (d = 18.69 ± 0.19 pc), solar-type (G9V) star HD 4747 ([Fe/H] = −0.22 ± 0.04) with a projected separation of only ρ = 11.3 ± 0.2 au (θ = 0.″6). Precise Doppler measurements taken over 18 years reveal the companion’s orbit and allow us to place strong constraints on its mass using dynamics (msin i=55.3±1.9M{sub Jup}). Relative photometry (ΔK {sub s} = 9.05 ± 0.14, M{sub K{sub s}}=13.00±0.14, K{sub s}−L{sup ′}=1.34±0.46) indicates that HD 4747 B is most likely a late-type L-dwarf and, if near the L/T transition, an intriguing source for studying cloud physics, variability, and polarization. We estimate a model-dependent mass of m=72{sub −13}{sup +3} M{sub Jup} for an age of 3.3{sub −1.9}{sup +2.3} Gyr based on gyrochronology. Combining astrometric measurements with RV data, we calculate the companion dynamical mass (m=60.2±3.3M{sub Jup}) and orbit (e = 0.740 ± 0.002) directly. As a new mass, age, and metallicity benchmark, HD 4747 B will serve as a laboratory for precision astrophysics to test theoretical models that describe the emergent radiation of brown dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Bridging the time scale in exascale computing of chemical systems (Final Technical Report)

This report summarizes the work carried out with support of the United States Department of Energy under Award DE-SC0019441. The theme of this project was to develop and apply methods that allowed for the acceleration of atomistic calculations, particularly in challenging areas such as multiphase systems, electrified interfaces, uncertainty estimation, and applications requiring chemical accuracy, which tend to be applications where simulation time is severely bottlenecked by the computational time requirements. Much of the focus was on the application of emerging machine-learning methodologies, although a wide range of methodologies were employed. This report has two major sections. The first focuses on the methodological advances themselves. Within this part, we report a number of major advances, a few examples of which are described here. We report the first machine-learning scheme for the acceleration of electronically grand-canonical calculations (that is, those applicable to electrochemistry). We report new methods of performing transfer learning, in which physics-based priors can be used to provide predictions, often with uncertainty estimates, of images well outside of training sets; we also offer ways to fine-tune these transfer-learning models. We provide a new systematic means to generate and apply minimal training data sets to very large (10,000’s of atoms) systems, with only small training sets appropriate for electronic structure. We developed new methodologies to integrate surface vibrations into surface adsorption calculations. We made advances to the applicability of diffusion Monte Carlo methods to allow (learned) force prediction, finite-size error correction, and force-free means of searching for transition states. We integrated machine-learned atomistic predictions into mechanism generation codes. Additionally, we released new software including AmpTorch, a modernized version of our original atomistic machine-learning code Amp. The second part of this report focuses on the scientific applications that accompanied, and were often enabled by, the methodological advances described earlier. A few examples follow, but full details are in the individual chapters of the report. For example, we developed a general theory of phonon-induced friction on molecular adsorbates. We showed fundamentally how solvent influences the adsorption and desorption process and how it differs from the processes typically involved at the solid–gas interface, making aqueous-phase and electrocatalysis different from traditional thermocatalysis. We examined how metal–insulator and magnetic transitions can be probed, and accelerated exciton dynamics via Frenkel Hamiltonian parameters. We showed that the nearsighted force-training approach, developed within this project, can predict both the stability and reactivity of large nanoparticles, and can also lead to insights on catalyst coverage on binding energies and entropies. These applied studies, which generally integrated with our method development, allowed us to push forward the theoretical understanding of several reaction classes.

08 HYDROGEN↗
DOE OSTI2015

Estimation of Future PM2.5- and Ozone-related Mortality over the Continental United States in a Changing Climate: An application of High-resolution Dynamical Downscaling Technique

This paper evaluates the PM2.5- and ozone-related mortality at present (2000s) and in the future (2050s) over the continental United States by using the Environmental Benefits Mapping and Analysis Program (BenMAP-CE). Atmospheric chemical fields are simulated by WRF/CMAQ (horizontal resolution: 12 × 12km), applying the dynamical downscaling technique from global climate-chemistry models under the Representative Concentration Pathways scenario (RCP 8.5). Future air quality results predict that the annual mean PM2.5 concentrations in continental US will decrease nationwide, especially in the eastern US and west coast. However, the ozone concentration is projected to decrease in the Eastern US but increase in the Western US. Future mortality is evaluated under two scenarios (1) holding future population and baseline incidence rate at the present level and (2) decreasing the future baseline incidence rate but increasing the future population. For PM2.5, the entire continental US presents a decreasing trend of PM2.5-related mortality by the 2050s in Scenario (1), primarily resulting from the emissions reduction. While in Scenario (2), almost half of the continental states show a rising tendency of PM2.5-related mortality, due to the dominant influence of population growth. In particular, the highest PM2.5-related deaths and the biggest discrepancy between present and future PM2.5-related deaths will both occur in California in 2050s. For the ozone-related premature mortality, the simulation shows nation-wide rising tendency in 2050s under both two scenarios, mainly due to the increase of ozone concentration and population in the future. Furthermore, the uncertainty analysis shows that the effect of the all causes mortality is much larger than for specific causes. This assessment is the result of the accumulated uncertainty of generating datasets. The uncertainty range of ozone-related all cause premature mortality is narrower than the PM2.5-related all cause mortality, due to its smaller standard deviation of beta parameter.

BenMAP-CE↗
DOE OSTI2020

Diffusion coefficients in the envelopes of white dwarfs

The diffusion of elements is a key process in understanding the unusual surface composition of white dwarfs and their spectral evolution. The diffusion coefficients of Paquette et al. have been widely used to model diffusion in white dwarfs. In this work, we perform new calculations of the coefficients of interdiffusion and ionic thermal diffusion with (1) a more advanced model that uses a recent modification of the calculation of the collision integrals that is more suitable for the partially ionized, partially degenerate, and moderately coupled plasma and (2) classical molecular dynamics. The coefficients are evaluated for silicon and calcium in white dwarf envelopes of hydrogen and helium. A comparison of our results with Paquette et al. shows that the latter systematically underestimates the coefficient of interdiffusion yet provides reliable estimates for the relatively weakly coupled plasmas found in nearly all types of stars, as well as in white dwarfs with hydrogen envelopes. In white dwarfs with cool helium envelopes (${T}_{\mathrm{eff}}$ < 15,000 K), the difference grows to more than a factor of two. We also explored the effect of the ionization model used to determine the charges of the ions and found that it can be a substantial source of discrepancy between different calculations. Finally, we consider the relative diffusion timescales of Si and Ca in the context of the pollution of white dwarf photospheres by accreted planetesimals and find factor of ≳3 differences between calculations based on Paquette et al. and our model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Radiological Performance Modeling: Platform Comparison

Zapadnoe Uranium Mill Tailings Site, Pridneprovsky Chemical Plant Ukraine: Two exposure scenarios were utilized to develop performance assessment models in GoldSim and NORMALYSA. The first scenario is an onsite worker exposed to radioactivity through external ground irradiation as well as radon and radioactive dust inhalation. The second being an offsite Resident 300 years after institutional control exposed through the ingestion of garden vegetables irrigated by contaminated ground water, ingestion of fish from Konoplyanka River, and agricultural activities in contaminated garden. NORMALYSA utilizes a modular interface to connect extensive pre-created modules to develop contaminant transport and risk assessment models for safety assessments and performance assessments at NORM and legacy sites. Developed by Facilia AB, the program was tested with the creation of the Zapadnoe model under the International Atomic Energy Agency MODARIA Il Working Group 1 (WG1). Default values are provided for input parameters where site specific data and distributions lack. Probabilistic simulations and inputs are limited to parameters with assigned Gaussian probability functions. Similar results for transient worker inhalation dose were found in comparison with the Zapadnoe GoldSim model. However, the NORMALYSA model has results larger by an order of magnitude for external radiation in the transient worker and for aquatic food ingestion, inhalation, and garden food ingestion to the resident. Performance Assessment Modeling: Radiological performance models promote good management and support in remediation and environmental decision making by optimizing radioactive waste disposal site performance. a performance assessment model of the Zapadnoe uranium mill tailings site and a model for calculating authorized limits at Los Alamos National Laboratory are created to demonstrate and highlight the respective capabilities of three modeling platforms: GoldSim, NORMALYSA, and RESRAD-Onsite. GoldSim is a general-purpose modeling platform with the ability to simulate site-specific FT radionuclide transport and risk assessment using a graphical interface to create and link elements that act as indivisible building blocks of the model. The Zapadnoe performance assessment model created in GoldSim is composed of input parameters collected from site specific parameters from WG1 as well as standard assumptions seen in the Generic PA Model from Neptune and Company. The multivariate Zapadnoe simulation contains both deterministic and probabilistic simulation capabilities with the ability to quantitatively represent the uncertainty and associated risks of the site via the Monte Carlo simulation method. Model parameters, documentation, and assumptions are built directly into the model creating a transparent, reproducible, and more purposeful site specific model. To demonstrate this, an ingestion of water pathway was included in addition to the exposure pathways included in the NORMALYSA model. GoldSim offers a wide variety of probability distributions to choose from as well as many tools to visualize the uncertainty of the models and explore which pathways and radionuclides dominate dose. In contrast to the NORMALYSA model, the GoldSim model uses dynamic simulation to calculate tritium concentrations. Authorized limits support the evaluation of radiological health effects from radionuclides present in bulk contaminated soil in order to assist in the process of clearing land for release under different uses. Calculations of authorized limits in RESRAD-Onsite and GoldSim models support the evaluation for 15 radionuclides using a residential exposure scenario, indoor and outdoor inhalation of dust and vapor phase radionuclides (tritium), incidental soil ingestion, and ingestion grown fruits and Vegetables. RESRAD-Onsite, developed by Argonne National Laboratory is a dedicated computer code for calculating radiation doses and cancer risks to an individual located on top of radioactively contaminated soils. It can also be used to provide guidelines for deriving radionuclide soil levels corresponding to a specific dose criterion. The menu driven user interface facilitates selection of radionuclides and soil concentrations, as well as defines parameter values related to materials, environmental factors, and exposure pathways. The program contains radionuclide-specific data such as dose conversion factors and risk coefficients, as well as soil-water partition coefficients and transfer factors for biotic media. The GoldSim model successfully emulates the RESRAD-Onsite code using identical radiological decay and ingrowth factors, radiation dose conversion factors, and other input parameters. DE EEDE ETS Each model supports dynamic modeling of radionuclide ingrowth and decay over time, and integrate this capability with the transport of radionuclides in the environment via processes such as advection and/or diffusion in fluids, or within porous solid media, The applicability of each program is heavily dependent on project context. In the context of developing Authorized Limits, RESRAD-Onsite may be a more desirable option as it was developed for this particular application. For simple disposal or legacy sites or sites that do not need site-specific model structure, NORMALYSA may be a desirable modeling platform, GoldSim can be used to model any problem for which RESRAD or NORMALYSA is applicable, but its strength lies in its flexibility, analytical, and probabilistic capabilities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

An evaluation of equilibrium conditions and temperature-dependent speciation in a laser-produced air plasma

A laser-induced air breakdown plasma is a dynamical system and its fundamental parameters change significantly during its lifetime. The temporal evolution of the spectral features from an air plasma shows emission from bremsstrahlung followed by discrete electronic transitions from ions, atoms, and rotational and vibrations bands from molecules. The molecular band emission from air plasma typically appears at times ≳5 μs and persists for 100s of μs. Here, an evaluation is made on the temperature evolution and speciation in a laser-produced air plasma. The air plasmas are generated by focusing 1064 nm, 6 ns pulses from an Nd:YAG laser. High-resolution emission spectra of various molecules such as N 2 , N 2 + , CN, OH, NH, NO are acquired for fits to spectral models. Fitting of atomic and molecular emission features permits tracking of the air spark temperature evolution from 1 to 200 µs. Though the excitation and molecular temperatures show good overlap at times ≲10 μs, the molecular temperatures obtained from different species show a discontinuity at times ~ 30 μs and this is related to shock collapse and subsequent changes in hydrodynamics and chemistry of the plume. The fitting of multiple species in broadband spectra has permitted calculation of the relative concentrations of various molecules as a function of temperature that provides insight into the air spark speciation. Finally, the measured mole fractions from laser-induced air plasma are within a factor of 2 - 6 of the values estimated by speciation model under the assumption of thermal and chemical equilibrium across the temperature ranges studied and probable reasons for the observed deviation are described.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

The full squeezed CMB bispectrum from inflation

The small-scale CMB temperature we observe on the sky is modulated by perturbations that were super-horizon at recombination, giving differential focussing and lensing that generate a non-zero bispectrum even for single-field inflation where local physics is identical. Understanding this signal is important for primordial non-Gaussianity studies and also parameter constraints from the CMB lensing bispectrum signal. Because of cancellations individual effects can appear larger or smaller than they are in total, so a full analysis may be required to avoid biases. I relate angular scales on the sky to physical scales at recombination using the optical equations, and give full-sky results for the large-scale adiabatic temperature bispectrum from Ricci focussing (expansion of the ray bundle), Weyl lensing (convergence and shear), and temperature redshift modulations of small-scale power. The δN expansion of the beam is described by the constant temperature 3-curvature, and gives a nearly-observable version of the consistency relation prediction from single-field inflation. I give approximate arguments to quantify the likely importance of dynamical effects, and argue that they can be neglected for modulation scales l∼<100, which is sufficient for lensing studies and also allows robust tests of local primordial non-Gaussianity using only the large-scale modulation modes. For accurate numerical results early and late-time ISW effects must be accounted for, though I confirm that the late-time non-linear Rees-Sciama contribution is negligible compared to other more important complications. The total corresponds to f{sub NL} ∼ 7 for Planck-like temperature constraints and f{sub NL} ∼ 11 for cosmic-variance limited data to l{sub max} = 2000. Temperature lensing bispectrum estimates are affected at the 0.2σ level by Ricci focussing, and up to 0.5σ with polarization.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Active microbial biomass decreases, but microbial growth potential remains similar across soil depth profiles under deeply-vs. shallow-rooted plants

Climate-smart land management practices that replace shallow-rooted annual crop systems with deeply-rooted perennial plants can contribute to soil carbon sequestration. However, deep soil carbon accrual may be influenced by active microbial biomass and their capacity to assimilate fresh carbon at depth. Incorporating active microbial biomass, dormancy, and growth in microbially-explicit models can improve our ability to predict soil's capacity to store carbon. But, so far, the microbial parameters that are needed for such modeling are poorly constrained, especially in deep soil layers. Here, we used a lab incubation experiment and growth kinetics model to estimate how microbial parameters vary along 240 cm of soil depth in profiles under shallow- (soy) and deeply-rooted (switchgrass) plants 11 years after plant cover conversion. We also assessed resource origin and availability (total organic carbon, 14 C, extractable organic carbon, specific UV absorbance of K 2 SO 4 extractable organic C, total nitrogen, total dissolved nitrogen) along the soil profiles to examine associations between soil chemical and biological parameters. Even though root biomass was greater and rooting depth was deeper under switchgrass than soy, resource availability and microbial growth parameters were generally similar between vegetation types. Instead, depth significantly influenced soil chemical and biological parameters. For example, resource availability and total and relative active microbial biomass decreased with soil depth. Decreases in the relative active microbial biomass coincided with increased lag time (response time to external carbon inputs) along the soil profiles. Even at a depth of 210–240 cm, microbial communities were activated to grow by added resources within a day. Maximum specific growth rate decreased to a depth of 90 cm and then remained consistent in deeper layers. Our findings show that >10 years of vegetation and rooting depth changes may not be long enough to alter microbial growth parameters, and suggest that at least a portion of the microbial community in deep soils can grow rapidly in response to added resources. Our study determined microbial growth parameters that can be used in microbially-explicit models to simulate carbon dynamics in deep soil layers.

14C↗
DOE OSTI2023

Development of Mechanistic Fission Gas Release and Swelling Models for UN Fuels in BISON

This report describes the work in NEAMS (Nuclear Energy Advanced Modeling and Simulation) to develop a mechanistic fission gas model for uranium nitride fuels in BISON. The existing Sifgrs (Simple integrated fission gas release and swelling) model tracks the average properties of two bubble populations in the bulk and at the grain boundaries. It was recognized that dislocations play a crucial role in the fission gas swelling of UN, and an irradiation-induced dislocation density model was needed, as well as a model describing how fission gas interacts with dislocations creating a third population of bubbles along dislocations. A mechanistic model that tracks dislocation bubbles was implemented in Sifgrs. This model was used to simulate fission gas swelling and release in UN. Lower-length-scale calculations and experimental observations from carbide fuel were leveraged to help populate the model with essential parameters. As a placeholder, an empirical function was formulated for the evolution of the dislocation network. Because of the difference in evolution of this network at different temperatures, the dislocation bubbles are able to capture behavior that the bulk intragranular bubbles cannot. It was found that the bulk bubbles dominate microscopic swelling at low temperatures, and the dislocation bubbles dominate at higher temperatures. Based on this model, the transition between the two bubble types is the main factor behind the breakaway swelling phenomenon in UN. In order to test the model, a couple of assessments were run. For the lower temperature JOYO pins, the model produces reasonable fission gas release and swelling values. For the higher temperature SP1 pin, the model dramatically underestimates the fission gas release. This issue is attributed to the gas being trapped inside dislocation bubbles, unable to escape to grain boundaries to cause fission gas release, and could be remedied by a mechanistic dislocation model that allows the dislocation density to decrease at very high temperatures. A preliminary mechanistic dislocation model was developed supported by first-principle calculations. These calculations provided valuable insight into how interstitial defects cluster in UN in the {110} orientation, and may eventually form dislocation loops, leading to the conclusion that dislocation loops may nucleate from these clusters. An estimate of the dislocation line energy in UN was obtained and will be improved in future work. The free-energy cluster dynamics code Centipede was used to track interstitial and vacancy absorption at dislocation loops and calculate their growth. In addition, improvements to Centipede were made including new convergence criteria for transient simulations and sink driving force updates.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Mapping Permafrost Variability and Degradation Using Seismic Surface Waves, Electrical Resistivity, and Temperature Sensing: A Case Study in Arctic Alaska

Subsurface processes significantly influence surface dynamics in permafrost regions, necessitating utilizing diverse geophysical methods to reliably constrain permafrost characteristics. This research uses multiple geophysical techniques to explore the spatial variability of permafrost in undisturbed tundra and its degradation in disturbed tundra in Utqiagvik, Alaska. Here, we integrate multiple quantitative techniques, including multichannel analysis of surface waves (MASW), electrical resistivity tomography (ERT), and ground temperature sensing, to study heterogeneity in permafrost’s geophysical characteristics. MASW results reveal active layer shear wave velocities (V s ) between 240 and 370 m/s, and permafrost V s between 450 and 1,700 m/s, typically showing a low-high-low velocity pattern. Additionally, we find an inverse relationship between in situ V s and ground temperature measurements. The V s profiles along with electrical resistivity profiles reveal cryostructures such as cryopeg and ice-rich zones in the permafrost layer. The integrated results of MASW and ERT provide valuable information for characterizing permafrost heterogeneity and cryostructure. Corroboration of these geophysical observations with permafrost core samples’ stratigraphies and salinity measurements further validates these findings. This combination of geophysical and temperature sensing methods along with permafrost core sampling confirms a robust approach for assessing permafrost’s spatial variability in coastal environments. Our results also indicate that civil infrastructure systems such as gravel roads and pile foundations affect permafrost by thickening the active layer, lowering the V s , and reducing heterogeneity. We show how the resulting V s profiles can be used to estimate key parameters for designing buildings in permafrost regions and maintaining existing infrastructure in polar regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Microtearing instabilities and electron thermal transport in low and high collisionality NSTX discharges

Microtearing mode (MTM) real frequency, growth rate, magnetic fluctuation amplitude and resulting electron thermal transport are studied in systematic NSTX scans of relevant plasma parameters. Here, the dependency of the MTM real frequency and growth rate on plasma parameters, suitable for low and high collision NSTX discharges, is obtained by using the reduced MTM transport model. The plasma parameter dependencies are compared and found to be consistent with the results obtained from MTM using the Gyrokinetic GYRO code. The scaling trend of collision frequency and plasma beta is found to be consistent with the global energy confinement trend observed in the NSTX experiment. The strength of the magnetic fluctuation is found to be consistent with the gyrokinetic estimate. In earlier studies, it was found that the version of the Multi-Mode (MM) anomalous transport model, which did not contain the effect of MTMs, provided an appropriate description of the electron temperature profiles in standard tokamak discharges and not in spherical tokamaks. When the MM model, which involves transport associated with MTMs, is incorporated in the TRANSP code and is used in the study of electron thermal transport in NSTX discharges, it is observed that the agreement with the experimental electron temperature profile is substantially improved.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗