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At least 775 records · Page 43

Selection and Assessment of Phenomenological Models of Tumor Growth

We address general approaches to the rational selection and validation of mathematical and computational models of tumor growth using methods of Bayesian inference. The model classes are derived from a general diffuse-interface, continuum mixture theory and focus on mass conservation of mixtures with up to four species. Synthetic data are generated using higher-order base models. We discuss general approaches to model calibration, validation, plausibility, and selection based on Bayesian-based methods, information theory, and maximum information entropy. We also address computational issues and provide numerical experiments based on Markov chain Monte Carlo algorithms and high performance computing implementations.

59 BASIC BIOLOGICAL SCIENCES↗

Field Testing and Modeling of Supermarket Refrigeration Systems as a Demand Response Resource

Supermarkets offer a substantial demand response (DR) resource because of their high energy intensity and use patterns; however, refrigeration as the largest load has been challenging to access. Previous work has analyzed supermarket DR using heating, ventilating, and air conditioning; lighting; and anti-sweat heaters. This project evaluated and quantified the DR potential inherent in supermarket refrigeration systems in the Bonneville Power Administration service territory. DR events were carried out and results measured in an operational 45,590-ft2 supermarket located in Hillsboro, Oregon. Key results from the project include the rate of temperature increase in freezer reach-in cases and walk-ins when refrigeration is suspended, the load shed amount for DR tests, and the development of calibrated models to quantify available DR resources. Simulations showed that demand savings of 15 to 20 kilowatts (kW) are available for 1.5 hours for a typical store without precooling and for about 2.5 hours with precooling using only the low-temperature, non-ice cream cases. This represents an aggregated potential of 20 megawatts within BPA's service territory. Inability to shed loads for medium-temperature (MT) products because of the tighter temperature requirements is a significant barrier to realizing larger DR for supermarkets. Store owners are reluctant to allow MT case set point changes, and laboratory tests of MT case DR strategies are needed so that owners become comfortable testing, and implementing, MT case DR. The next-largest barrier is the lack of proper controls in most supermarket displays over ancillary equipment, such as anti-sweat heaters, lights, and fans.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Dynamic modeling of heat pipe integrated thermal battery latent heat storage system experiment validation

A heat pipe integrated thermal battery system has been constructed to investigate a high-temperature latent heat thermal energy storage technology that takes advantage of near isothermal operation of latent heat storage and heat pipes to potentially enable high-energy isothermal heat storage. A dynamic model constructed in Modelica has been validated, showing errors between 2.5 °C–39.7 °C across 10-h to 47-h simulations against experiment results, showing good prediction capability of experiment output, especially against phase change time. Model calibrations showing vessel heat-up capability of 3 kW and heat pipes combining to provide 600 W each during experiment operation validate experiment circumstances including reduced material loading and reduced power capability. The experiment configuration uses an Al-Mg-Zn eutectic metal as the storage material, heated via heat tape wrapped around the vessel and guide tubes to bring the system to operation range (>400 °C) and to simulate charging heat exchange, respectively, with heat rejection occurring through the surfaces of the material and facilitated via guide tubes with less insulation wrapping. The model is available in the open-source repository HYBRID on Github.

25 - ENERGY STORAGE↗

Calibration and Validation of Landsat Tree Cover in the Taiga-Tundra Ecotone

Monitoring current forest characteristics in the taiga-tundra ecotone (TTE) at multiple scales is critical for understanding its vulnerability to structural changes. A 30 m spatial resolution Landsat-based tree canopy cover map has been calibrated and validated in the TTE with reference tree cover data from airborne LiDAR and high resolution spaceborne images across the full range of boreal forest tree cover. This domain-specific calibration model used estimates of forest height to determine reference forest cover that best matched Landsat estimates. The model removed the systematic under-estimation of tree canopy cover greater than 80% and indicated that Landsat estimates of tree canopy cover more closely matched canopies at least 2 m in height rather than 5 m. The validation improved estimates of uncertainty in tree canopy cover in discontinuous TTE forests for three temporal epochs (2000, 2005, and 2010) by reducing systematic errors, leading to increases in tree canopy cover uncertainty. Average pixel-level uncertainties in tree canopy cover were 29.0%, 27.1% and 31.1% for the 2000, 2005 and 2010 epochs, respectively. Maps from these calibrated data improve the uncertainty associated with Landsat tree canopy cover estimates in the discontinuous forests of the circumpolar TTE.

Montesano, Paul Mannix↗

Digital Signal Processing Techniques for the GIFTS SM EDU

The Geosynchronous Imaging Fourier Transform Spectrometer (GIFTS) Sensor Module (SM) Engineering Demonstration Unit (EDU) is a high resolution spectral imager designed to measure infrared (IR) radiance using a Fourier transform spectrometer (FTS). The GIFTS instrument employs three Focal Plane Arrays (FPAs), which gather measurements across the long-wave IR (LWIR), short/mid-wave IR (SMWIR), and visible spectral bands. The raw interferogram measurements are radiometrically and spectrally calibrated to produce radiance spectra, which are further processed to obtain atmospheric profiles via retrieval algorithms. This paper describes several digital signal processing (DSP) techniques involved in the development of the calibration model. In the first stage, the measured raw interferograms must undergo a series of processing steps that include filtering, decimation, and detector nonlinearity correction. The digital filtering is achieved by employing a linear-phase even-length FIR complex filter that is designed based on the optimum equiripple criteria. Next, the detector nonlinearity effect is compensated for using a set of pre-determined detector response characteristics. In the next stage, a phase correction algorithm is applied to the decimated interferograms. This is accomplished by first estimating the phase function from the spectral phase response of the windowed interferogram, and then correcting the entire interferogram based on the estimated phase function. In the calibration stage, we first compute the spectral responsivity based on the previous results and the ideal Planck blackbody spectra at the given temperatures, from which, the calibrated ambient blackbody (ABB), hot blackbody (HBB), and scene spectra can be obtained. In the post-calibration stage, we estimate the Noise Equivalent Spectral Radiance (NESR) from the calibrated ABB and HBB spectra. The NESR is generally considered as a measure of the instrument noise performance, and can be estimated as the standard deviation of calibrated radiance spectra from multiple scans. To obtain an estimate of the FPA performance, we developed an efficient method of generating pixel performance assessments. In addition, a random pixel selection scheme is developed based on the pixel performance evaluation. This would allow us to perform the calibration procedures on a random pixel population that is a good statistical representation of the entire FPA. The design and implementation of each individual component will be discussed in details.

Tian, Jialin↗

Reconciling the Dawn-Dusk Asymmetry in Mercury's Exosphere with the Micrometeoroid Impact Directionality

Combining dynamical models of dust from Jupiter-family comets and Halley-type comets, we demonstrate that the seasonal variation of the dust/meteoroid environment at Mercury is responsible for producing the dawn-dusk asymmetry in Mercury's exosphere observed by the MESSENGER spacecraft. Our latest models, calibrated recently from ground-based and space-borne measurements, provide unprecedented statistics that enable us to study the longitudinal and latitudinal distribution of meteoroids impacting Mercury's surface. We predict that the micrometeoroid impact vaporization source is expected to undergo significant motion on Mercury's surface toward the nightside during Mercury's approach to aphelion and toward the dayside when the planet is approaching the Sun.

Mercury's exosphere - meteoroids-comets-dynamical ↗

Commercial and Residential Hourly Load Profiles for all TMY3 Locations in the United States

Note: This dataset has been superseded by the dataset found at "End-Use Load Profiles for the U.S. Building Stock" (submission 4520; linked in the submission resources), which is a comprehensive and validated representation of hourly load profiles in the U.S. commercial and residential building stock. The End-Use Load Profiles project website includes links to data viewers for this new dataset. For documentation of dataset validation, model calibration, and uncertainty quantification, see Wilson et al. (2022). These data were first created around 2012 as a byproduct of various analyses of solar photovoltaics and solar water heating (see references below for are two examples). This dataset contains several errors and limitations. It is recommended that users of this dataset transition to the updated version of the dataset posted in the resources. This dataset contains weather data, commercial load profile data, and residential load profile data. Weather The Typical Meteorological Year 3 (TMY3) provides one year of hourly data for around 1,000 locations. The TMY weather represents 30-year normals, which are typical weather conditions over a 30-year period. Commercial The commercial load profiles included are the 16 ASHRAE 90.1-2004 DOE Commercial Prototype Models simulated in all TMY3 locations, with building insulation levels changing based on ASHRAE 90.1-2004 requirements in each climate zone. The folder names within each resource represent the weather station location of the profiles, whereas the file names represent the building type and the representative city for the ASHRAE climate zone that was used to determine code compliance insulation levels. As indicated by the file names, all building models represent construction that complied with the ASHRAE 90.1-2004 building energy code requirements. No older or newer vintages of buildings are represented. Residential The BASE residential load profiles are five EnergyPlus models (one per climate region) representing 2009 IECC construction single-family detached homes simulated in all TMY3 locations. No older or newer vintages of buildings are represented. Each of the five climate regions include only one heating fuel type; electric heating is only found in the Hot-Humid climate. Air conditioning is not found in the Marine climate region. One major issue with the residential profiles is that for each of the five climate zones, certain location-specific algorithms from one city were applied to entire climate zones. For example, in the Hot-Humid files, the heating season calculated for Tampa, FL (December 1 - March 31) was unknowingly applied to all other locations in the Hot-Humid zone, which restricts heating operation outside of those days (for example, heating is disabled in Dallas, TX during cold weather in November). This causes the heating energy to be artificially low in colder parts of that climate zone, and conversely the cooling season restriction leads to artificially low cooling energy use in hotter parts of each climate zone. Additionally, the ground temperatures for the representative city were used across the entire climate zone. This affects water heating energy use (because inlet cold water temperature depends on ground temperature) and heating/cooling energy use (because of ground heat transfer through foundation walls and floors). Representative cities were Tampa, FL (Hot-Humid), El Paso, TX (Mixed-Dry/Hot-Dry), Memphis, TN (Mixed-Humid), Arcata, CA (Marine), and Billings, MT (Cold/Very-Cold). The residential dataset includes a HIGH building load profile that was intended to provide a rough approximation of older home vintages, but it combines poor thermal insulation with larger house size, tighter thermostat setpoints, and less efficient HVAC equipment. Conversely, the LOW building combines excellent thermal insulation with smaller house size, wider thermostat setpoints, and more efficient HVAC equipment. However, it is not known how well these ...

Array↗

Validating Hydrogen Concentrations Ahead of Crack Tips

Current models for hydrogen embrittlement rely on adjustable parameters to correct for uncertainties in crack tip stress fields and subsequent H 2 -concentrations. Techniques are needed to quantify these concentrations ahead of crack tips in mechanically loaded materials, providing data for model calibration and validation. The goal of this work was to establish advanced analytical techniques to detect and quantitatively measure hydrogen ahead of cracks in stressed solids. Two advanced analytical techniques, kelvin probe force microscopy (KPFM) and nuclear reaction analysis (NRA), were explored to evaluate the feasibility to provide qualitative and quantitative H 2 -concentration fields in geometries designed to be 'loaded' while under observation. The feasibility of the KPFM technique at detecting hydrogen was evaluated using electrochemically precharged hydrogen as well as a mixed hydrogen gas atmosphere. The KPFM technique was able to detect the presence of elevated stress and hydrogen concentrations ahead of a tensile loaded crack tip. The results suggest that KPFM is a viable technique for qualitatively imaging changes in stress and hydrogen concentrations on the scale needed to inform predictive models. KPFM could be used to provide local stress and hydrogen variations associated with hydrogen traps or different phases which require sensitive measurements on the micron scale. NRA provided quantitative measurements of the hydrogen-isotope deuterium ahead of a tensile loaded notch, however, the vacancy formation due to the incident high energy He 3 beam overwhelmed stress-assisted enhancement of deuterium concentrations such that the effect of stress was overshadowed in this analysis. Modeling of the chemo- mechanical hydrogen concentration change was used to verify this observation.

08 HYDROGEN↗

A radioisotope - enabled reactive transport model for deep vadose zone carbon

In mountainous regions, which constitute the principle source of recharge to major rivers and regional aquifers, infiltration occurs through fractured, partially saturated, weathered bedrock that acts as a boundary layer between saturated aquifers and surface soil. Commonly this deep vadose zone (DVZ) is many meters thick, and yet its role in regulating the generation, retention and mobility of reactive solutes, including nutrients, contaminants and weathering products, is largely unknown. In particular, many of the key reactions that drive the formation of the weathered DVZ and the quality of water moving through it are redox processes, regulated by the availability of organic carbon and oxygen below the soil layer. The role of the DVZ is thus also poorly constrained in the context of carbon stocks and mobility, particularly in lithologies that are naturally high in organic carbon, such as shales. The overarching hypothesis of this study is that upland regions developed in geologic settings with abundant petrogenic carbon store and actively cycle carbon in the weathered DVZ below the soil and above the water table at rates that are significant and currently unconstrained. In order to quantify this cycling, the current study combines novel instrumentation techniques allowing new direct sampling of DVZ systems with advanced numerical reactive transport simulations of carbon transport and transformation. Critically, these simulations will explicitly treat the three isotopes of carbon (the abundant 12C, the stable rare 13C and the radioactive 14C) in a unified framework, thus clearly parsing between the contributions of modern surface derived carbon and lithologic carbon sources in integrated measurements of fluid and gas phase fluxes. This novel model capability will be applied to test the role of DVZ carbon cycling as a regulator of water quality and geological weathering in two complementary field sites both located in organic carbon rich shale lithologies. The first is the Eel River Critical Zone Observatory (ERCZO) in Mendocino County, California, and the second is the Lawrence Berkeley National Laboratory Watershed Function Scientific Focus Area (SFA) in the East River watershed, near Crested Butte, Colorado. At the ERCZO, a novel vadose zone monitoring system has been installed in a 20 m thick, partially saturated, weathered shale hillslope, and preliminary data already indicate substantial CO2 flux generated many meters below the soil surface. At the SFA field site, an instrumented hillslope transect indicates a more complex multi-dimensional fluid and solute transport regime, which will serve as a key test of the calibrated models. Collectively, this project will advance understanding of the cycling of carbon belowground and in relation to transport pathways across the poorly constrained DVZ characteristic of primary water recharge areas. The key product of this work will be enhanced isotope simulation capabilities that are robust and publicly available for application across a broad diversity of systems.

58 GEOSCIENCES↗

Numerically Testing Conceptual Models of the Utah FORGE Reservoir Using July 2023 Circulation Test Data

Over the past several years, many new data sets have become available regarding the characterization of the Utah FORGE reservoir. These include, but are not limited to, the stimulation of Well 16A, the drilling and completion of Well 16B, and interwell circulation confirmatory testing. As part of the characterization efforts, conceptual models of the reservoir are re-examined as new data become available. As part of the planning for FORGE activities, numerical models are often used to predict the reservoir response to the planned testing. Stochastic methods are often employed to bound uncertainty and allow for evaluation of comprehensive ranges of key reservoir parameters. For the most recent interwell circulation confirmatory testing (July 2023), a priori numerical model predictions did bound the observed behavior (Xinj et al., 2023), but key deviations from expected behavior prompted the FORGE team to reevaluate our conceptual model of the reservoir. In early October 2023, key members of the development, testing, and monitoring teams met for 2 days to review newly collected data and discuss ‘interesting’ or ‘key’ observations. From these discussions, 15 Key Observations were documented, with several significant ones being that the discrete fracture network developed from the 16A stimulation data may not be appropriate and that the early time pressure data obtained during the summer 2023 reservoir testing were best described using radial solutions. In July 2023, two campaigns of interwell confirmatory testing were conducted, the first set of tests occurred on July 4-5 and the second set on July 18-19. The second set of circulation tests conducted at the Utah FORGE site between the injection well 16A(78)-32 and production well 16B(78)-32 on July 18 and 19, 2023 are used to calibrate material properties in a thermal-hydraulic-mechanical (THM) simulation of the discrete fracture network connecting the wells. The spatially and temporally varying reservoir properties are calibrated to match the time dependent pressure and production profiles from the circulation tests. In future work, this calibrated model will be coupled to the native state THM model of the FORGE reservoir to predict surface deformation and strains resulting from pumping schedules.

58 GEOSCIENCES↗

Numerically Testing Conceptual Models of the Utah FORGE Reservoir Using July 2024 Circulation Test Data

Over the past several years, many new data sets have become available regarding the characterization of the Utah FORGE reservoir. These include, but are not limited to, the stimulation of Well 16A, the drilling and completion of Well 16B, and interwell circulation confirmatory testing. As part of the characterization efforts, conceptual models of the reservoir are re-examined as new data become available. As part of the planning for FORGE activities, numerical models are often used to predict the reservoir response to the planned testing. Stochastic methods are often employed to bound uncertainty and allow for evaluation of comprehensive ranges of key reservoir parameters. For the most recent interwell circulation confirmatory testing (July 2023), a priori numerical model predictions did bound the observed behavior (Xinj et al., 2023), but key deviations from expected behavior prompted the FORGE team to reevaluate our conceptual model of the reservoir. In early October 2023, key members of the development, testing, and monitoring teams met for 2 days to review newly collected data and discuss ‘interesting’ or ‘key’ observations. From these discussions, 15 Key Observations were documented, with several significant ones being that the discrete fracture network developed from the 16A stimulation data may not be appropriate and that the early time pressure data obtained during the summer 2023 reservoir testing were best described using radial solutions. In July 2023, two campaigns of interwell confirmatory testing were conducted, the first set of tests occurred on July 4-5 and the second set on July 18-19. The second set of circulation tests conducted at the Utah FORGE site between the injection well 16A(78)-32 and production well 16B(78)-32 on July 18 and 19, 2023 are used to calibrate material properties in a thermal-hydraulic-mechanical (THM) simulation of the discrete fracture network connecting the wells. The spatially and temporally varying reservoir properties are calibrated to match the time dependent pressure and production profiles from the circulation tests. In future work, this calibrated model will be coupled to the native state THM model of the FORGE reservoir to predict surface deformation and strains resulting from pumping schedules.

15 GEOTHERMAL ENERGY↗

Novel strategies for modal-based structural material identification

Here, we present modal-based methods for model calibration in structural dynamics, and address several key challenges in the solution of gradient-based optimization problems with eigenvalues and eigenvectors, including the solution of singular Helmholtz problems encountered in sensitivity calculations, non-differentiable objective functions caused by mode swapping during optimization, and cases with repeated eigenvalues. Unlike previous literature that relied on direct solution of the eigenvector adjoint equations, we present a parallel iterative domain decomposition strategy (Adjoint Computation via Modal Superposition with Truncation Augmentation) for the solution of the singular Helmholtz problems. For problems with repeated eigenvalues we present a novel Mode Separation via Projection algorithm, and in order to address mode swapping between inverse iterations we present a novel Injective mode ordering metric. We present the implementation of these methods in a massively parallel finite element framework with the ability to use measured modal data to extract unknown structural model parameters from large complex problems. A series of increasingly complex numerical examples are presented that demonstrate the implementation and performance of the methods in a massively parallel finite element framework [7], [5], using gradient-based optimization techniques in the Rapid Optimization Library (ROL) [21].

36 MATERIALS SCIENCE↗

A crystal plasticity model for body-centered cubic molybdenum: Experiments and simulations

Here, a physics-based finite strain crystal plasticity constitutive model for body-centered-cubic (BCC) single crystals is developed to capture the strong temperature, rate, and orientation dependence of mechanical behavior. The key features of the model include twinning-anti-twinning asymmetry of shearing resistance, a yield criterion that incorporates atomistics-informed non-Schmid effects, and a flow rule formulated based on the theory of thermally activated motion of screw dislocations via nucleation of double kinks. The implementation of the constitutive model in a finite-element program is briefly discussed. The material constants in the model are determined by calibrating the model against literature-based experimental data on single-crystal Molybdenum subjected to uniaxial compression and uniaxial tension. Experiments of uniaxial compression on a single crystal specimen with a hole were performed for validation of the calibrated model for BCC Molybdenum. Measurements of deformations in the vicinity of the hole were used to assess the ability of the model in predicting localized deformation patterns around the hole. Lastly, the model is able to effectively describe the anisotropic and temperature-dependent stress-strain response of a molybdenum crystal up to a homologous temperature of 0.3.

36 MATERIALS SCIENCE↗

Microstructure Modeling of 3rd Generation Disk Alloys

The objective of this program is to model, validate, and predict the precipitation microstructure evolution, using PrecipiCalc (QuesTek Innovations LLC) software, for 3rd generation Ni-based gas turbine disc superalloys during processing and service, with a set of logical and consistent experiments and characterizations. Furthermore, within this program, the originally research-oriented microstructure simulation tool will be further improved and implemented to be a useful and user-friendly engineering tool. In this report, the key accomplishment achieved during the second year (2008) of the program is summarized. The activities of this year include final selection of multicomponent thermodynamics and mobility databases, precipitate surface energy determination from nucleation experiment, multiscale comparison of predicted versus measured intragrain precipitation microstructure in quench samples showing good agreement, isothermal coarsening experiment and interaction of grain boundary and intergrain precipitates, primary microstructure of subsolvus treatment, and finally the software implementation plan for the third year of the project. In the following year, the calibrated models and simulation tools will be validated against an independently developed experimental data set, with actual disc heat treatment process conditions. Furthermore, software integration and implementation will be developed to provide material engineers valuable information in order to optimize the processing of the 3rd generation gas turbine disc alloys.

Jou, Herng-Jeng↗

A PHYSICAL MODEL FOR THE 0 {approx}< z {approx}< 8 REDSHIFT EVOLUTION OF THE GALAXY ULTRAVIOLET LUMINOSITY AND STELLAR MASS FUNCTIONS

We present a model to understand the redshift evolution of the UV luminosity and stellar mass functions of Lyman break galaxies. Our approach is based on the assumption that the luminosity and stellar mass of a galaxy is related to its dark-matter (DM) halo assembly and gas infall rate. Specifically, galaxies experience a burst of star formation at the halo assembly time, followed by a constant star formation rate, representing a secular star formation activity sustained by steady gas accretion. Star formation from steady gas accretion is the dominant contribution to the galaxy UV luminosity at all redshifts. The model is calibrated by constructing a galaxy luminosity versus halo mass relation at z = 4 via abundance matching. After this luminosity calibration, the model naturally fits the z = 4 stellar mass function, and correctly predicts the evolution of both luminosity and stellar mass functions from z = 0 to z = 8. While the details of star formation efficiency and feedback are hidden within our calibrated luminosity versus halo mass relation, our study highlights that the primary driver of galaxy evolution across cosmic time is the buildup of DM halos, without the need to invoke a redshift-dependent efficiency in converting gas into stars.

79 ASTRONOMY AND ASTROPHYSICS↗

Uncertainty quantification for competing failure mechanisms in unidirectionally reinforced carbon–carbon composites

Microstructure-informed finite element models play a key role in the carbon–carbon composite design process. Variability in manufacturing process parameters and experimental limitations introduce model parameter uncertainty. This study quantifies the effect of model parameter uncertainty on transverse tensile fracture behavior and proposes a methodology to predict the failure mode based on competing microscale damage mechanisms. Finite element simulations incorporate fiber–matrix interface debonding with cohesive zones and matrix damage with a smeared crack band approach in a unidirectional carbon–carbon composite. Results from a variance-based global sensitivity analysis identifies interfacial and matrix damage parameters as the primary source of variability in fracture behavior. Sobol’ indices indicate that matrix and cohesive zone strengths contribute 94% of the variance in the effective ultimate stress. A local analysis elucidates the relationship between these constituent strength parameters and failure mode by estimating the probability of cohesive, matrix, and mixed-mode dominated failure. Based on the results for 4000 simulations, 93% exhibit mixed-mode or interfacial dominated failure, which underscores the crucial role of fiber–matrix interface debonding in the transverse tensile failure of carbon–carbon composites. These uncertainty quantification results facilitate more efficient model calibration and provide a framework for microstructure-informed failure predictions in the face of manufacturing-induced uncertainty.

36 MATERIALS SCIENCE↗

iTOUGH2: A multiphysics simulation-optimization framework for analyzing subsurface systems

We report iTOUGH2 is a simulation-optimization framework for the TOUGH suite of nonisothermal multiphase flow models and related simulators of geophysical, geochemical, and geomechanical processes. After appropriate parameterization of subsurface structures and their properties, iTOUGH2 runs simulations for multiple parameter sets and analyzes the resulting output for parameter estimation through automatic model calibration, local and global sensitivity analyses, data-worth analyses, and uncertainty propagation analyses. Development of iTOUGH2 is driven by scientific challenges and user needs, with new capabilities continually added to both the forward simulator and the optimization framework. This paper provides a summary description of methods and features implemented in iTOUGH2, and discusses the usefulness and limitations of an integrated simulation-optimization workflow in support of the characterization and analysis of complex multiphysics subsurface systems.

58 GEOSCIENCES↗

(U) PRAD0697 & PRAD0698: Complex Loading of CeO₂ Powder

Cerium(IV) oxide (CeO₂) powder is shock compressed using the Precision High Energy-density Liner Implosion eXperiment (PHELIX) platform. Experimental results are compared against several modeling approaches. Compaction behavior is best captured with a P-∝ model, which calculates CeO₂ powder bulk densities within 80-99% of experimental values but overpredicts densi cation at the cylindrical target's outer radius and center by up to 20%. Preliminary calculations suggest that accuracy could be increased with the inclusion of a coupled strength model. Several common computational modeling approaches for the shock compression response of granular materials and the magnetohydrodynamic (MHD) force upon the impactor/liner in pulsed power compression experiments are investigated and analyzed for their validity. The Bi-linear Ramp, P-∝ PACXP, and P-∝ Menikoff-Kober continuum compaction models are calibrated to planar impact Hugoniot data for CeO₂ powder and used to predict the powder's shock compaction response under non-planar shock wave compression. MHD calculations of the PHELIX pulsed power driver are performed using an idealized resistor-inductor-capacitor (RLC) circuit calibrated to previous experiments. All simulations are performed using the LANL code FLAG. Two validation experiments are computationally designed using the calibrated compaction and circuit models, executed using the PHELIX platform on CeO₂ targets with initial porous densities of 3.95 and 4.03 g/cm³, measured with proton radiography, and analyzed against the model predictions. The two P-∝ models more accurately describe CeO₂ powder densi cation than the Bi-linear Ramp model. However, the two P-∝ models overpredict bulk density of the shock compressed CeO₂ powder by up to 20% when the appropriate impact velocities are applied. MHD calculations for both validation experiments underpredict liner impact velocities by 4-11% when using the idealized RLC circuit model calibrated to previous experiments. Compensating underpredictions of impact velocity and overpredictions of powder densication lead to a false accuracy in pre-shot calculations compared to experimental data. To improve correlation between simulations and experiments, the following improvements are suggested: 1. A coupled strength model for CeO₂ powder that updates strength as a function of porosity and applied stress. 2. An improved MHD circuit model that more accurately captures the PHELIX machine.

36 MATERIALS SCIENCE↗