Search NASA⌕ Search

SEARCH · Search NASA

Results for “process simulation modeling”

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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Modeling Mg II During Solar Flares. I. Partial Frequency Redistribution, Opacity, and Coronal Irradiation

The Interface Region Imaging Spectrograph has routinely observed the flaring Mg II near-ultraviolet (NUV) spectrum, offering excellent diagnostic potential and a window into the location of energy deposition. A number of studies have forward-modeled both the general properties of these lines and specific flare observations. Generally these have forward-modeled radiation via post-processing of snapshots from hydrodynamic flare simulations through radiation transfer codes. There has, however, not been a study of how the physics included in these radiation transport codes affects the solution. A baseline setup for forward-modeling Mg II in flares is presented and contrasted with approaches that add or remove complexity. It is shown for Mg II that (1) partial frequency distribution (PRD) is still required during flare simulations despite the increased densities; (2) using full angle-dependent PRD affects the solution but takes significantly longer to process a snapshot; (3) including Mg I in non-LTE (NLTE) results in negligible differences to the Mg II lines but does affect the NUV quasi-continuum; (4) only hydrogen and Mg II need to be included in NLTE; (5) ideally the nonequilibrium hydrogen populations, with nonthermal collisional rates, should be used rather than the statistical equilibrium populations; (6) an atom consisting of only the ground state, h and k upper levels, and continuum level is insufficient to model the resonance lines; and (7) irradiation from a hot, dense flaring transition region can affect the formation of Mg II. We discuss modifications to the RH code allowing straightforward inclusion of the transition region and coronal irradiation in flares.

Kerr, Graham S.↗
DOE OSTI2017

Evaluation of Stimulation by Shear Slip in Fractured Rock Using a 3D Coupled Thermo-Poro-Mechanical FEM

This paper presents a 3D finite element model for simulating shear slip on fractures in rock in response to coupled thermo-poro-mechanical processes. The modeling is part of a broader effort to investigate the role of pore pressure and cooling by cold water injection on shear slip and permeability increase in granitic rock using laboratory shearing experiments under triaxial conditions. In particular, 3D thermo-poro-mechanical finite element modeling and analysis of injection experiment in fractured rock has been carried out to analyze the role of pore pressure, temperature, fracture deformation and their interactions. 4-noded tetrahedral elements are employed for intact rock deformation and transport processes within the matrix. To represent the mechanical response of a fracture surface, zero thickness contact interface element is developed based on recently developed element partitioning algorithm and procedures for applying hydraulic pressure on the fracture surfaces. A Mohr-Coulomb type criterion is adapted to capture the slip on the fracture and to quantify its reversible and irreversible deformation. The numerical model has been calibrated using results from well controlled, advanced laboratory experiments. Excellent agreement between modeling and experimental observations is achieved. Simulation results illustrate that pore pressure increase and rock matrix/fracture surface cooling cause the fracture system to deform and slip. Fracture slip is promoted due to its normal stress reduction associated with cooling effect of cold fluid injection. The numerical model provides a physics-based understanding of the role of coupled processes on shear stimulation phenomenon and the resulting permeability enhancement.

58 GEOSCIENCES↗
DOE OSTI2015

Technical Note: Implementation of biological washout processes within GATE/GEANT4—A Monte Carlo study in the case of carbon therapy treatments

Purpose: The imaging of positron emitting isotopes produced during patient irradiation is the only in vivo method used for hadrontherapy dose monitoring in clinics nowadays. However, the accuracy of this method is limited by the loss of signal due to the metabolic decay processes (biological washout). In this work, a generic modeling of washout was incorporated into the GATE simulation platform. Additionally, the influence of the washout on the β{sup +} activity distributions in terms of absolute quantification and spatial distribution was studied. Methods: First, the irradiation of a human head phantom with a {sup 12}C beam, so that a homogeneous dose distribution was achieved in the tumor, was simulated. The generated {sup 11}C and {sup 15}O distribution maps were used as β{sup +} sources in a second simulation, where the PET scanner was modeled following a detailed Monte Carlo approach. The activity distributions obtained in the presence and absence of washout processes for several clinical situations were compared. Results: Results show that activity values are highly reduced (by a factor of 2) in the presence of washout. These processes have a significant influence on the shape of the PET distributions. Differences in the distal activity falloff position of 4 mm are observed for a tumor dose deposition of 1 Gy (T{sub ini} = 0 min). However, in the case of high doses (3 Gy), the washout processes do not have a large effect on the position of the distal activity falloff (differences lower than 1 mm). The important role of the tumor washout parameters on the activity quantification was also evaluated. Conclusions: With this implementation, GATE/GEANT 4 is the only open-source code able to simulate the full chain from the hadrontherapy irradiation to the PET dose monitoring including biological effects. Results show the strong impact of the washout processes, indicating that the development of better models and measurement of biological washout data are essential.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1995

The 3-D effects in the long-term solar wind speed rise observed by Voyager 2 in early 1994

In early 1994, Voyager 2 at 42-43 AU near heliolatitude 10 deg S observed over a period of approximately 100 days a remarkable sequence of quasi-recurrent stream fronts, wherein the background (ambient) speed rose steadily from approximately 450 to approximately 550 km/s while the mean period of the streams decreased from the usual 25 days down to approximately 20 days. A qualitative explanation for this effect can be derived from IMP observations, which show that the amplitude of the stream structure at 1 AU increased monotonically in late 1993, concurrent with major secular evolution in the corona. The reduction in period, then, amounts to a doppler shift due to the progressive overtaking of successively faster streams in the sequence. Attempts to model this process quantitatively with 1-D dynamic simulations falter on three accounts: (1) the reduction in period is overestimated, (2) the simulation predicts many more fronts surviving to 43 AU than are observed by Voyager; (3) the density variations are much too large. It is argued that inclusion of the 3-D geometry in the simulation would resolve most all these shortcomings. Using a series of calculations executed with 1-D, 2-D, and 3-D MHD models of hypothetical tilted-dipole flows, we show that: (1) the radial propagation velocities of 3-D fronts are less than those of 1-D or 2-D fronts, owing to the tilt of (and increased shearing across) the interaction surfaces hence the overtaking rate of successive streams is reduced; (2) in a tilted-dipole geometry, the reverse fronts should largely disappear from the equatorial plane by 43 AU, effectively halving the number of fronts to be observed (see companion paper on predominance of forward fronts at Voyager); and (3) the density enhancements would be much smaller than predicted by a 1-D model.

Pizzo, V. J.↗
DOE OSTI2018

Laser Simulations of the Destructive Impact of Nuclear Explosions on Hazardous Asteroids

We present the results of preliminary experiments at laser facilities in which the processes of the undeniable destruction of stony asteroids (chondrites) in space by nuclear explosions on the asteroid surface are simulated based on the principle of physical similarity. We present the results of comparative gasdynamic computations of a model nuclear explosion on the surface of a large asteroid and computations of the impact of a laser pulse on a miniature asteroid simulator confirming the similarity of the key processes in the fullscale and model cases. The technology of fabricating miniature mockups with mechanical properties close to those of stony asteroids is described. For mini-mockups 4–10 mm in size differing by the shape and impact conditions, we have made an experimental estimate of the energy threshold for the undeniable destruction of a mockup and investigated the parameters of its fragmentation at a laser energy up to 500 J. The results obtained confirm the possibility of an experimental determination of the criteria for the destruction of asteroids of various types by a nuclear explosion in laser experiments. We show that the undeniable destruction of a large asteroid is possible at attainable nuclear explosion energies on its surface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Biogenic sulfide control by nitrate and (per)chlorate – A monitoring and modeling investigation

Biosouring is commonly encountered during secondary oil recovery when seawater or another high sulfate water source is utilized for flooding; as a result, effective souring control is of great interest to the oil industry. Here we describe a laboratory study to evaluate the relative effectiveness of souring interventions through the injection of nitrate, chlorate and perchlorate, collectively (per)chlorate, solutions and whether in-situ galvanic potential measurements can be used for convenient and quantitative tracking of sulfide dynamics. Nitrate has typically been the chemical of choice for souring treatments, while the efficacy of (per)chlorate as a new candidate inhibitor has only been explored recently. (Per)chlorate is known to inhibit oil reservoir souring via mechanisms such as toxicity, bio-competitive exclusion and sulfur redox cycling. Two sets of experiments under different matrix and inoculation conditions were conducted to evaluate treatment efficiency under variable baseline physical and biogeochemical conditions. Our data demonstrated the sensitivity of the galvanic potential signals to sulfide concentrations where the sulfide-galvanic potential correlation is similar to the theoretical predictions based on the Nernst equation, demonstrating the feasibility of using galvanic potential as a quick and economical method for quantifying in situ sulfide concentrations for tracking reservoir souring processes and subsequent intervention effectiveness. Our results show that all three chemicals were effective at suppressing sulfidogenesis. A reactive transport model for perchlorate treatment was developed to simulate the reaction processes and explore the interactions between the underlying competing mechanisms of this inhibitor. A baseline simulation captured the temporal patterns of the effluent chemical species. Subsequent simulations in which individual inhibition mechanisms were systematically removed elucidated the relative role that each inhibition mechanism played at the different phases of the experiment. The simulation results complement the experimental findings. Our study supports the potential advantages of souring control with (per)chlorate treatments, and the application of galvanic signal as an economic, in-situ monitoring approach for tracking souring dynamics and treatment efficacy.

02 PETROLEUM↗
DOE OSTI2016

Characteristics of energy exchange between inter- and intramolecular degrees of freedom in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with implications for coarse-grained simulations of shock waves in polyatomic molecular crystals

In this report, we characterize the kinetics and dynamics of energy exchange between intramolecular and intermolecular degrees of freedom (DoF) in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). All-atom molecular dynamics (MD) simulations are used to obtain predictions for relaxation from certain limiting initial distributions of energy between the intra- and intermolecular DoF. The results are used to parameterize a coarse-grained Dissipative Particle Dynamics at constant Energy (DPDE) model for TATB. Each TATB molecule in the DPDE model is represented as an all-atom, rigid-molecule mesoparticle, with explicit external (molecular translational and rotational) DoF and coarse-grained implicit internal (vibrational) DoF. In addition to conserving linear and angular momentum, the DPDE equations of motion conserve the total system energy provided that particles can exchange energy between their external and internal DoF. The internal temperature of a TATB molecule is calculated using an internal equation of state, which we develop here, and the temperatures of the external and internal DoF are coupled using a fluctuation-dissipation relation. The DPDE force expression requires specification of the input parameter σ that determines the rate at which energy is exchanged between external and internal DoF. We adjusted σ based on the predictions for relaxation processes obtained from MD simulations. The parameterized DPDE model was employed in large-scale simulations of shock compression of TATB. We show that the rate of energy exchange governed by σ can significantly influence the transient behavior of the system behind the shock.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Modeling Evolvable Water Recovery Systems for Short and Long-Duration Missions in Partial Gravity

Water recovery technologies on the International Space Station (ISS) are designed and optimized for microgravity environments, thus creating a need for innovative systems optimized for mission operations in the presence of gravity. Alternative water recovery technologies under research by the Life Support Systems division were compiled into a series of Partial Gravity Water Recovery System (PGWRS) architectures. Individual unit processes were modeled via fundamental physical-chemical process equations to simulate their method of treatment, including chemical or biological oxidation, flash evaporation, filtration, or a combination of adsorption and ion exchange processes. Dimension and sizing data were then utilized to scale each architecture. Modeling was completed on an assortment of architectures assuming three scenarios in which treatment methods could take advantage of partial gravity: a short-duration mission with a temporary surface habitat, a longer duration mission with a more permanent habitat, and a long duration mission without resupply. Total system mass was estimated to quantitatively compare architectures within scenarios, but qualitative observations were also made regarding system robustness, flexibility, and capacity to meet more stringent demands. Technologies that traded most favorably between the scenarios were those that included a pre-oxidation stage to minimize mass loading to downstream absorption and ion exchange beds, exploited gravity in liquid-vapor separation processes, and reconstituted wastewater components into recyclable material streams.

Avery Carlson↗
NASA NTRSDate not supplied

Modeling Evolvable Water Recovery Systems for Short and Long-Duration Missions in Partial Gravity

Water recovery technologies on the International Space Station (ISS) are designed and optimized for microgravity environments, thus creating a need for innovative systems optimized for mission operations in the presence of gravity. Alternative water recovery technologies under research by the Life Support Systems division were compiled into a series of Partial Gravity Water Recovery System (PGWRS) architectures. Individual unit processes were modeled via fundamental physical-chemical process equations to simulate their method of treatment, including chemical or biological oxidation, flash evaporation, filtration, or a combination of adsorption and ion exchange processes. Dimension and sizing data were then utilized to scale each architecture. Modeling was completed on an assortment of architectures assuming three scenarios in which treatment methods could take advantage of partial gravity: a short-duration mission with a temporary surface habitat, a longer duration mission with a more permanent habitat, and a long duration mission without resupply. Total system mass was estimated to quantitatively compare architectures within scenarios, but qualitative observations were also made regarding system robustness, flexibility, and capacity to meet more stringent demands. Technologies that traded most favorably between the scenarios were those that included a pre-oxidation stage to minimize mass loading to downstream absorption and ion exchange beds, exploited gravity in liquid-vapor separation processes, and reconstituted wastewater components into recyclable material streams.

Avery L. Carlson↗
DOE OSTI2023

Controlling the Self-Assembly of DNA Origami Octahedra via Manipulation of Inter-Vertex Interactions

Recent studies have demonstrated novel strategies for the organization of nanomaterials into three-dimensional (3D) ordered arrays with prescribed lattice symmetries using DNA-based self-assembly strategies. In one approach, the nanomaterial is sequestered into DNA origami frames or “material voxels” and then coordinated into ordered arrays based on the voxel geometry and the corresponding directional interactions based on its valency. While the lattice symmetry is defined by the valency of the bonds, a larger-scale morphological development is affected by assembly processes and differences in energies of anisotropic bonds. To facilely model this assembly process, we investigate the self-assembly behavior of hard particles with six interacting vertices via theory and Monte Carlo simulations and exploration of corresponding experimental systems. We demonstrate that assemblies with different 3D crystalline morphologies, but the same lattice symmetry can be formed depending on the relative strength of vertex-to-vertex interactions in orthogonal directions. We observed three distinct assembly morphologies for such systems: cube-like, sheet-like, and cylinder-like. A simple analytical theory inspired by well-established ideas in the areas of protein crystallization, based on calculating the second virial coefficient of patchy hard spheres, captures the simulation results and thus represents a straightforward means of modeling this self-assembly process. To complement the theory and simulations, experimental studies were performed to investigate the assembly of octahedral DNA origami frames with varying binding energies at their vertices. In conclusion, x-ray scattering confirms the robustness of the formed nanoscale lattices for different binding energies, while both optical and electron microscopy imaging validated the theoretical predictions on the dependence of the distinct morphologies of assembled state on the interaction strengths in the three orthogonal directions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Modeling error PDF optimization based wavelet neural network modeling of dynamic system and its application in blast furnace ironmaking

In general, the modeling errors of dynamic system model are a set of random variables. The traditional performance index of modeling such as means square error (MSE) and root means square error (RMSE) can not fully express the connotation of modeling errors with stochastic characteristics both in the dimension of time domain and space domain. Therefore, the probability density function (PDF) is introduced to completely describe the modeling errors in both time scales and space scales. Based on it, a novel wavelet neural network (WNN) modeling method is proposed by minimizing the two-dimensional (2D) PDF shaping of modeling errors. First, the modeling error PDF by the tradional WNN is estimated using data-driven kernel density estimation (KDE) technique. Then, the quadratic sum of 2D deviation between the modeling error PDF and the target PDF is utilized as performance index to optimize the WNN model parameters by gradient descent method. Since the WNN has strong nonlinear approximation and adaptive capability, and all the parameters are well optimized by the proposed method, the developed WNN model can make the modeling error PDF track the target PDF, eventually. Simulation example and application in a blast furnace ironmaking process show that the proposed method has a higher modeling precision and better generalization ability compared with the conventional WNN modeling based on MSE criteria. Furthermore, the proposed method has more desirable estimation for modeling error PDF that approximates to a Gaussian distribution whose shape is high and narrow.

Modelling↗
DOE OSTI2021

Meshfree simulation and experimental validation of extreme thermomechanical conditions in friction stir extrusion

Abstract Friction stir extrusion (FSE) is a novel solid-phase processing technique that consolidates and extrudes metal powders, flakes, chips, or billets into high-performance parts by plastic deformation, which has the potential to save substantial processing time and energy. Currently, most studies on FSE are experimental and only a few numerical models have been developed to explain and predict the complex physics of the process. In this work, a meshfree simulation framework based on smoothed particle hydrodynamics (SPH) was developed for FSE. Unlike traditional grid-based methods, SPH is a Lagrangian particle-based method that can handle severe material deformations, capture moving interfaces and surfaces, and monitor the field variable histories explicitly without complicated tracking schemes. These aspects of SPH make it attractive for the FSE process, where in situ evolution of field variables is difficult to observe experimentally. To this end, a 3-D, fully thermomechanically coupled SPH model was developed to simulate the FSE of aluminum wires. The developed model was thoroughly validated by comparing the numerically predicted material flow, strain, temperature history, and extrusion force with experimental results for a certain set of process parameters. The validated SPH model can serve as an effective tool to predict and better understand the extreme thermomechanical conditions during the FSE process.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS2014

Using Discrete Event Simulation to Model Integrated Commodities Consumption for a Launch Campaign of the Space Launch System

In May 2013, NASA's GSDO Program requested a study to develop a discrete event simulation (DES) model that analyzes the launch campaign process of the Space Launch System (SLS) from an integrated commodities perspective. The scope of the study includes launch countdown and scrub turnaround and focuses on four core launch commodities: hydrogen, oxygen, nitrogen, and helium. Previously, the commodities were only analyzed individually and deterministically for their launch support capability, but this study was the first to integrate them to examine the impact of their interactions on a launch campaign as well as the effects of process variability on commodity availability. The study produced a validated DES model with Rockwell Arena that showed that Kennedy Space Center's ground systems were capable of supporting a 48-hour scrub turnaround for the SLS. The model will be maintained and updated to provide commodity consumption analysis of future ground system and SLS configurations.

Commodities↗
DOE OSTI2018

Fluid Dynamics Effects on Microstructure Prediction in Single Laser Tracks for Additive Manufacturing

The Laser Powder Bed Fusion Additive Manufacturing (LPBFAM) is one of the most important processes for the production of lightweight, cost-effective, complex, and high-performance enduse parts. At present, the cost and time associated with LPBFAM process development is very high due to a lack of fundamental process understanding. In this project, a multi-physics model was developed on a highly parallel open-source code, Truchas, with the ultimate goal of providing experimentally validated process maps for tailoring microstructure to achieve desired performance for LPBFAM. As a critical step towards fully LPBFAM modeling, modeling of single-track laser fusion (STLF) were conducted. Multi-physics simulations were conducted using Truchas for STLF by considering heat transfer, phase-change, fluid dynamics, surface tension phenomena, and evaporation. In order to assess the effect of the fluid dynamics on the solidification and ensuing microstructure, a heat transfer-and-solidification-only (HTS) model and a fully coupled heat-transfer-solidification and fluid-dynamics (HTS-FD) model were considered. In the HTS_FD model, the fluid flow was considered to be laminar while the molten alloy surface is assumed to be flat and non-deformable. This study is one the first attempt to understand the effect of the fluid flow on microstructure in STLF and LPBFAM. The results show that the fluid flow affects the solidification and ensuing microstructure in STLF. In order to validate Truchas for STLF and LPBFAM modeling, experimental data, which was obtained at GE Global Research (GEGR) for liquid pool shape and microstructure, were compared with those from numerical simulation results. For the keyhole regime case, numerical simulation results indicate that the melt-pool shape was typical to that of the conduction case with very large deviations from the measured melt-pool depths. Two sensitivity studies were conducted by varying the evaporation flux and the surface tension coefficient at fixed laser absorptivities of 0.5 and 0.3, respectively. The minimum value for the overall combined error, between the calculated values with the HTS_FD model and measured values for both the width and height of the melt-pool, was attained for a surface tension coefficient of -0.75e-4 N/m. An analytical solidification model for the columnar-to-equiaxed transition (CET) in rapid solidification was used to assess the microstructure variation within the melt-pool. From numerical simulation results, thermal gradient, G, and solidification velocity, V, were obtained in order to predict the microstructure type (e.g., dendritic, cellular). For the fluid-flow HTS_FD model, G was found to exhibit a maximum at the extremity of the solidified pool (i.e., at the free surface). By contrast, for HTS simulations, G was found to exhibit a maximum around the entire edge of the solidified pool. For the HTS_FD simulations, the minimum values of the cooling rate, GV, were found to be approximately half than their corresponding values for HTS simulations. By contrast with the min GV values, the maximum values for GV were found to occur for the HTS_FD simulations. Thus, HTS_FD simulations were found to exhibit a wider range of cooling rates than the HTS simulations. Concerning the solidification maps, the variation of the solidification velocity, V, as function of the thermal gradient, G, was obtained. It was found that the fluid flow model results (HTS_FD) exhibited an increased spread in the V(G) variation within the melt pool with respect to the HTS model results (without the fluid flow). A preliminary correlation model for the primary dendrite arm spacing (PDAS) based on a power law dependence on thermal gradient and solidification velocity was used to estimate PDAS from HTS and HTS_FD simulations. For low laser powers and low laser speeds, the PDAS obtained 6 with the fluid dynamics model (HTS_FD) was larger by more than 30% with respect to the PDAS calculated with the simple HTS model. In the second part of the project, fifty-seven simulations were conducted in order to obtain data on microstructure variables that can be used for process map development. In order to cover the entire processing space, thirty-three cases were selected STLF process simulations at six power levels and six laser scanning speeds. The 57 STLF process simulations were conducted as follows: 33 simulations with the heat-transfer-only (HTS) model and 24 simulations with the fluid flow model (HTS_FD). The solidification map data shows that for all simulations, a columnar dendritic microstructure would be expected. It was found that the minimum, average, and maximum thermal gradient exhibit exponential variations with respect to a process variable defined as the ratio between the power and square root of scan speed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Advanced Fuels Campaign Execution Plan

The Advanced Fuels Campaign (AFC) Execution Plan outlines the strategy, mission, scope, near-term and long-term goals, structure, and organization associated with nuclear fuels and materials research, development, and demonstration activities within the Department of Energy’s (DOE) Nuclear Fuel Cycle and Supply Chain (NFCSC) program. NFCSC has been given responsibility to identify and mature advanced fuel technologies for the DOE using a science-based approach, focused on developing a fundamental understanding of nuclear fuels and materials to drive development of integrated nuclear fuel and materials technology. This science-based approach combines theory, experiments, and multiscale modeling and simulation to achieve a predictive understanding of relevant behaviors ranging from fuel fabrication processes (and their resulting fuel microstructures) through fuel/cladding performance under irradiation (in contrast to more empirical, observation-based approaches frequently used in fuel performance modeling and fuel qualification). The traditional scope of AFC includes the evaluation and development of multiple fuel forms to support two fuel cycle options: once-through and full recycle. The word “fuel” is used generically to include conventional fuels, transmutation targets, and any associated cladding or duct materials. The once-through fuel cycle addresses advanced light water reactor fuels with enhanced performance, extended burnup, and reduced waste generation. In fiscal year (FY) 2012, AFC’s scope expanded to include research, development, and demonstration (RD&D) for light water reactor (LWR) fuels with enhanced accident tolerance. Fuel fabrication activities include the development of innovative methods to enhance process efficiencies, reduce waste, and improve control over as-fabricated fuel microstructural properties to achieve desired in-reactor performance. Using modern modeling and simulation approaches, the objective is to predict fresh fuel properties given the feedstock characteristics and fabrication process parameters. The performance-related activities include small-scale, in-reactor, and out-of-reactor phenomenological testing (distinct from, but synergistic with, integral prototypic testing) and extensive, quantitative characterization (focusing on characterization of fuel and cladding materials at the scale of microstructure) both before and after testing. Larger-scale, prototypic experiments are conducted in concert with phenomenological testing to drive a Fuel Development and Qualification program, incorporating a fundamental understanding of fuel behavior performance characteristics. Then, using the tools developed under the productive science-based approach, fuels will be optimized to meet specific performance requirements, thereby minimizing the need to repeatedly perform large-scale, integral experiments over a wide parametric range as a means of experimental exploration. Two significant initiatives are underway within AFC. First, a gap analysis completed in early FY 2019 identified critical irradiation testing needs that are lacking within the national light water reactor (LWR) fuels testbed since the shutdown of the Halden Reactor in 2018. The identified gaps are for instrumented, prototypic testing of LWR fuels, especially under boiling water reactor conditions, ramp conditions, and conditions leading to fuel failure; these needs exist for supporting current LWR fuels and their possible extension to higher burnups, but are especially urgent relative to near-term development and qualification of accident-tolerant fuels. Recommendations that resulted from the Halden Gap Analysis focused on enhancements at Advanced Test Reactor (ATR) and Transient Reactor Test Facility (TREAT) to fill gaps in testing capabilities relative to these needs. Second, a concerted effort to develop and demonstrate a systematic approach to accelerating the development, testing, and qualification of new fuel systems has been initiated. This is highlighted by a test strategy that combines the considerable advances in multiscale, mechanistic fuel modeling of recent years with a MiniFuel separate effects test program in the High Flux Isotope Reactor (HFIR) and a Fission Accelerated Steady-state Testing (FAST) semi-integral accelerated test program in ATR. This approach is being tested/demonstrated using the metallic fuel system, but if successful it is expected to be extensible to multiple fuel types and diverse applications. This document includes an overview of the NFCSC program, a definition of science-based development of nuclear fuels, near-term goals for Advanced LWR fuels (ALFs), and longer-term goals for Advanced Reactor Fuels (ARFs) RD&D. This includes the activities that will be conducted to achieve success toward the grand challenge, as well as the goals and milestones to be achieved over the next few decades of research and development. Long-term goals are based on the DOE Office of Nuclear Energ

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Advanced Fuels Campaign Execution Plan

The Advanced Fuels Campaign (AFC) Execution Plan outlines the strategy, mission, scope, near-term and long-term goals, structure, and organization associated with nuclear fuels and materials research, development, and demonstration activities within the Department of Energy’s (DOE) Nuclear Fuel Cycle and Supply Chain (NFCSC) program. NFCSC has been given responsibility to identify and mature advanced fuel technologies for the DOE using a science-based approach, focused on developing a fundamental understanding of nuclear fuels and materials to drive development of integrated nuclear fuel and materials technology. This science-based approach combines theory, experiments, and multiscale modeling and simulation to achieve a predictive understanding of relevant behaviors ranging from fuel fabrication processes (and their resulting fuel microstructures) through fuel/cladding performance under irradiation (in contrast to more empirical, observation-based approaches frequently used in fuel performance modeling and fuel qualification). The traditional scope of AFC includes the evaluation and development of multiple fuel forms to support two fuel cycle options: once-through and full recycle. The word “fuel” is used generically to include conventional fuels, transmutation targets, and any associated cladding or duct materials. The once-through fuel cycle addresses advanced light water reactor fuels with enhanced performance, extended burnup, and reduced waste generation. In fiscal year (FY) 2012, AFC’s scope expanded to include research, development, and demonstration (RD&D) for light water reactor (LWR) fuels with enhanced accident tolerance. Fuel fabrication activities include the development of innovative methods to enhance process efficiencies, reduce waste, and improve control over as-fabricated fuel microstructural properties to achieve desired in-reactor performance. Using modern modeling and simulation approaches, the objective is to predict fresh fuel properties given the feedstock characteristics and fabrication process parameters. The performance-related activities include small-scale, in-reactor, and out-of-reactor phenomenological testing (distinct from, but synergistic with, integral prototypic testing) and extensive, quantitative characterization (focusing on characterization of fuel and cladding materials at the scale of microstructure) both before and after testing. Larger-scale, prototypic experiments are conducted in concert with phenomenological testing to drive a Fuel Development and Qualification program, incorporating a fundamental understanding of fuel behavior performance characteristics. Then, using the tools developed under the productive science-based approach, fuels will be optimized to meet specific performance requirements, thereby minimizing the need to repeatedly perform large-scale, integral experiments over a wide parametric range as a means of experimental exploration. Two significant initiatives are underway within AFC. First, a gap analysis completed in early FY 2019 identified critical irradiation testing needs that are lacking within the national light water reactor (LWR) fuels testbed since the shutdown of the Halden Reactor in 2018. The identified gaps are for instrumented, prototypic testing of LWR fuels, especially under boiling water reactor conditions, ramp conditions, and conditions leading to fuel failure; these needs exist for supporting current LWR fuels and their possible extension to higher burnups, but are especially urgent relative to near-term development and qualification of accident-tolerant fuels. Recommendations that resulted from the Halden Gap Analysis focused on enhancements at Advanced Test Reactor (ATR) and Transient Reactor Test Facility (TREAT) to fill gaps in testing capabilities relative to these needs. Second, a concerted effort to develop and demonstrate a systematic approach to accelerating the development, testing, and qualification of new fuel systems has been initiated. This is highlighted by a test strategy that combines the considerable advances in multiscale, mechanistic fuel modeling of recent years with a MiniFuel separate effects test program in the High Flux Isotope Reactor (HFIR) and a Fission Accelerated Steady-state Testing (FAST) semi-integral accelerated test program in ATR. This approach is being tested/demonstrated using the metallic fuel system, but if successful it is expected to be extensible to multiple fuel types and diverse applications. This document includes an overview of the NFCSC program, a definition of science-based development of nuclear fuels, near-term goals for Advanced LWR fuels (ALFs), and longer-term goals for Advanced Reactor Fuels (ARFs) RD&D. This includes the activities that will be conducted to achieve success toward the grand challenge, as well as the goals and milestones to be achieved over the next few decades of research and development. Long-term goals are based on the DOE Office of Nuclear Energ

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Building a machine learning surrogate model for wildfire activities within a global Earth system model

Abstract. Wildfire is an important ecosystem process, influencing land biogeophysical and biogeochemical dynamics and atmospheric composition. Fire-driven loss of vegetation cover, for example, directly modifies the surface energy budget as a consequence of changing albedo, surface roughness, and partitioning of sensible and latent heat fluxes. Carbon dioxide and methane emitted by fires contribute to a positive atmospheric forcing, whereas emissions of carbonaceous aerosols may contribute to surface cooling. Process-based modeling of wildfires in Earth system land models is challenging due to limited understanding of human, climate, and ecosystem controls on fire counts, fire size, and burned area. Integration of mechanistic wildfire models within Earth system models requires careful parameter calibration, which is computationally expensive and subject to equifinality. To explore alternative approaches, we present a deep neural network (DNN) scheme that surrogates the process-based wildfire model with the Energy Exascale Earth System Model (E3SM) interface. The DNN wildfire model accurately simulates observed burned area with over 90 % higher accuracy with a large reduction in parameterization time compared with the current process-based wildfire model. The surrogate wildfire model successfully captured the observed monthly regional burned area during validation period 2011 to 2015 (coefficient of determination, R2=0.93). Since the DNN wildfire model has the same input and output requirements as the E3SM process-based wildfire model, our results demonstrate the applicability of machine learning for high accuracy and efficient large-scale land model development and predictions.

58 GEOSCIENCES↗