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DOE OSTI2020

Chimbuko: A Workflow-Level Scalable Performance Trace Analysis Tool

Due to the sheer volume of data it is typically impractical to analyze the detailed performance of an HPC application running at-scale. While conventional small-scale benchmarking and scaling studies are often sufficient for simple applications, many modern workflow-based applications couple multiple elements with competing resource demands and complex inter-communication patterns for which performance cannot easily be studied in isolation and at small scale. This work discusses Chimbuko, a performance analysis framework that provides real-time, in situ anomaly detection. By focusing specifically on performance anomalies and their origin (aka provenance), data volumes are dramatically reduced without losing necessary details. To the best of our knowledge, Chimbuko is the first online, distributed, and scalable workflow-level performance trace analysis framework. We demonstrate the tool's usefulness on Oak Ridge National Laboratory's Summit system.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

High Fidelity CFD Simulations Supporting the KP-FHR

Kairos Power, LLC, is developing its version of the Fluoride-cooled High-temperature Reactor, the KP-FHR. The design uses a pebble bed core with fluoride salt as a coolant. The pebbles used in the KP-FHR have a diameter of 4 cm, with a shell fuel region where TRISO particles are embedded. A Pebble bed core design is adopted by several Gen IV reactors, They boast many benefits, such as fuel integrity, highly efficient heat transfer, and passive safety. However, it is challenging to accurately predict temperature and flow inside a pebble bed. Traditional approaches use the porous media model, which regards the pebble bed as a continuous medium, but with different temperature fields representing different levels, such as the fluid temperature, pebble surface temperature, and pebble center temperature. Empirical heat transfer correlations are adopted to calculate the heat transfer coefficient between different phases. However, empirical correlations are usually validated with experimental data, which usually lacks detail inside the pebble bed. The available experimental data is also generally at a high Reynolds number, which falls outside of the conditions of KP-FHR. Explicit computational fluid dynamics (CFD) simulations of randomly packed pebble beds have only become feasible recently. This is thanks to the rapid development of computational power and scalable algorithms. In this work, we used the Spectral Element Method (SEM) CFD code NekRS to simulate the randomly packed pebble bed in a cylindrical container. NekRS, which is the GPU variant of Nek5000, but refactored to utilize the computational power of GPUs using the OCCA library to run on hybrid architecture high performance computing systems. It was initially developed with the libParamunal library, but truncated and tuned for large-scale turbulence simulation. As a result, the SEM reaches higher precision with the same degrees of freedom by using a high-order Lagrange polynomial basis distributed on Gauss-Lobatto-Legendre quadrature inside each element, compared to lower-order methods, such the Finite Volume Method and Finite Element Method. The report is divided into five parts. We start with a general discussion of the pebble bed reactor, along with a specific investigation into the KP-FHR. The second part presents the numerical methodology. In the third part, we study a modular pebble bed with 1741 pebbles in a container of 7 pebble-diameter radius. Beyond LES simulations done by NekRS, we also leveraged the thermal radiation model in OpenFOAM to study heat transfer under no-forced-flow scenarios. Then, in the fourth part we simulated a pebble bed similar to the size of the Hermes Test Reactor. The total number of pebbles is in these simulations is 34,374. The container radius is 14 pebble-diameters. Finally, the report concludes in part five, with a discussion of future work.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

DOE Award No.: DE-FE0023919 Phase 3 Scientific/Technical Report

This is the Phase 3 Report for the ‘Deepwater Methane Hydrate Characterization and Scientific Assessment or Genesis of Methane Hydrates in the Gulf of Mexico (GOM2)’ research project (DOE Award No. DE-FE0023919). The report summarizes activities from January 16, 2018 to September 30, 2019. The project is led by the University of Texas at Austin (UT). The objective is to gain insight into the nature, formation, occurrence and physical properties of methane hydrate-bearing sediments for the purpose of methane hydrate resource appraisal through the planning and execution of drilling, coring, logging, testing and analytical activities that assess the geologic occurrence, regional context, and characteristics of marine methane hydrate deposits in the Gulf of Mexico outer continental shelf (OCS). We determined that it would not be possible to pursue the project with the International Ocean Discovery Program (IODP) and then developed a revised science and operations plan to maximize the science using a commercial vessel within the budget that is available. We improved the scientific capability of the UT pressure core center by adding the ability to X-ray pressure cores, and the ability to cut and store multiple core samples for experimental analysis. We transferred pressure cores to peer institutions, including the National Energy Technology Lab (NETL) the United States Geological Survey (USGS Woods Hole). We made advances in understanding the composition and source of gasses locked in the methane hydrate from Green Canyon 955 (GC-955). We developed approaches to determine the in-situ salinity of hydrate-bearing samples, revealing that the in situ salinity of the GC 955 reservoir is just above that of seawater. We determined that the GC-955 hydrate reservoir is composed of sandy silt with a high concentration of hydrate interbedded with clayey silt with no hydrate present. We determined that some or all of the intervals bounding the hydrate reservoir are composed of material similar to the reservoir (sandy silt with hydrate and clayey silt with no hydrate), but with a lower net to gross. We determined that the reservoir effective permeability at a hydrate saturation of ~80-90 % is ~0.1 mD (or 1.0×10-16 m2) to ~0.5 mD (or 5.0×10-16 m2) and the intrinsic permeability is ~12 mD (or 1.2×10-14 m2). The GC-955 reservoir in-situ porosity of sandy silt is 0.38 to 0.40 and is largely independent of effective stress, and that the porosity of clayey silt is 0.33 at an in situ effective stress of 3.8 MPa to ~0.37 at zero effective stress. We developed a systematic, repeatable approach to studying hydrate reservoir properties by reconstituting individual lithofacies from dissociated pressure cores. We determined index properties of GC-955 reservoir, including liquid limit and plasticity, porosity, capillary behavior, and particle size distribution. We developed a more robust pressure coring technology. We finalized and published the UT-GOM2-1 Expedition Volume and we finalized a dedicated volume on the UT-GOM2-1 expedition that will be published in the American Association of Petroleum Geologists Bulletin (AAPG) in spring 2020.

03 NATURAL GAS↗

DOE OSTI2020

Chimbuko: A Workflow-Level Scalable Performance Trace Analysis Tool

ABSTRACT Due to the sheer volume of data it is typically impractical to analyze the detailed performance of an HPC application running at-scale. While conventional small-scale benchmarking and scaling studies are often sufficient for simple applications, many modern workflow-based applications couple multiple elements with competing resource demands and complex inter-communication patterns for which performance cannot easily be studied in isolation and at small scale. This work discusses Chimbuko, a performance analysis framework that provides real-time, in situ anomaly detection. By focusing specifically on performance anomalies and their origin (aka provenance), data volumes are dramatically reduced without losing necessary details. To the best of our knowledge, Chimbuko is the first online, distributed, and scalable workflow-level performance trace analysis framework. We demonstrate the tool's usefulness on Oak Ridge National Laboratory's Summit system.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

THERMAL/STRUCTURAL ANALYSIS OF THE AXION QUANTUM METROLOGY CAVITY AND ITS COMPONENTS

This research was centered around maximizing the capability to cool dielectric material within a containment unit, or Photonic Band Gap (PBG) cavity, designed for detecting axion dark matter and identifying the unit’s thermal properties. There are multiple types of PBG cavities, but the latest version that axion researchers wish to use has been theorized to contain possible issues related to its thermal properties. Thermal conductivity is an issue with the dielectric material because it is made from alumina which is highly insulative. This is important since the research is being done in a cryogenic environment and the thermal noise affects the quantum bit used for detecting the axion to photon conversion process. Therefore, any improvements to this unit should be justified and implemented but are not entirely limited to thermal contact related aspects of PBG cavities. A prospect of using sapphire in place of alumina also exists, but this is a more expensive, less tested, and more elusive material to justify the creation of a full dielectric structure out of sapphire. Thermal aspects of the cavity were analyzed using finite element method (FEM) and an experiment designed to test different thermal joint materials. FEM was used to check the contraction of the cavity during cooling, the contact quality between the dielectric material and cavity wall, theheat flow rate through the assembly, and helps visualize the cavity’s reaction to different design changes. A simple comparison between thermal conductivity curves justified the usage of sapphire over alumina from a thermal property point of view. Thus, the method of experimentation had an additional dielectric material, sapphire, to test with and compare to alumina. The thermal test identified which material is best to use for a thermal joint but also simultaneously found the conductance of the joint and dielectric material as well as an estimate for what the temperature is inside the larger scale cavity since a thermometer cannot be placed inside the PBG when it cools. Initially, the cavity simulation was tested for structural deformation properties and stress distribution since it is made of copper which contracts heavily in comparison to most other materials. The reduction in volume of the cavity was less than anticipated which gave more room for a possible usage of a modified thermal joint for additional contact area and higher conductivity.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Stochastic microstructural analysis of ceramic matrix composites using a high-fidelity multiscale framework

This paper presents a high-fidelity multiscale framework to simulate the mechanical behavior of ceramic matrix composites (CMCs), accounting for the complex micromorphology captured using detailed material characterization. First, high-resolution micrographs are obtained for the specific carbon fiber silicon-carbide-nitride matrix (C/SiNC) CMC to characterize the variability of the architectural features and manufacturing-induced defects at the microscale. An image processing algorithm is then used to precisely estimate the size and distribution of all subscale features and defects from the micrographs. The information is then used to generate a three-dimensional stochastic representative volume element (SRVE) to reconstruct microscale constituents accounting for the variability. As a result, the generated SRVEs are simulated using the high-fidelity generalized method of cells (HFGMC) micromechanics theory to investigate the effects of defects on the elastic properties of C/SiNC CMCs.

Ceramic Matrix Composites↗

DOE OSTI2023

Cooling performance of an active-passive hybrid composite phase change material (HcPCM) finned heat sink: Constant operating mode

Here, the present study explores a hybrid thermal management technology based on air cooling and hybrid composite phase change material (HcPCM) filled finned heat sink for cooling performance of lower to medium heat flux dissipating electronic devices. Two-dimensional numerical simulations are conducted to study the conjugate heat transfer effects of three types of finned heat sink: air-cooled finned heat sink, HcPCM-cooled finned heat sink, and hybrid (air-HcPCM) cooled finned heat sink. A heat sink with a constant volume faction of plate-fins is designed in all cases and simultaneous effects of hybrid nanoparticles and air are investigated to keep the heat sink temperature at safe operating conditions between 40–60°C. The effect of air is incorporated into the heat sink by applying the convective heat transfer coefficient of h c = 10–100W /m 2 .K which tends to create the natural convection and forced convection heat transfer characteristics. The heat flux is varied from 25–40kW /m 2 in the current study. The hybrid nanoparticles of carbon additives (GO and MWCNTs) are dispersed into the RT-35HC, used as a PCM, with a volume fraction of 0% to 6%. Transient simulations are carried out using COMSOL Multiphysics to solve the governing equations for PCM based conjugate heat transfer model. The results showed that forced convection heat transfer improved the cooling performance of the hybrid heat sink compared to natural convection heat transfer. The addition of nanoparticles further enhanced thermal enhancement and uniform melting distribution of PCM inside the finned heat sink. The h c between 30 to 50W/m 2 .K shows optimized values for forced convection heat transfer operating conditions. The volume fraction of 2% of GO+MWCNTs nanoparticles in recommended or optimum concentration for uniform melting of PCM inside the finned heat sink.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Enabling Cybersecurity, Situational Awareness and Resilience in Distribution Grids with High Penetration of Photovoltaics (CARE-PV) (Final Report)

Since legacy distribution systems have very limited visibility beyond the substation, high penetration of PV at the grid edge presents some unique operational challenges. One approach to address these challenges is to use information from advanced metering infrastructure (AMI) and µPMUs. However, exploiting this information is impacted by a number of factors, including multi-timescale measurements, volume of data generated, communication network impairments (e.g., information loss and latency) and susceptibility to cyber-attacks. Therefore, one of the critical tasks involved in the management of a distribution grid is to develop complete situational awareness by integrating cyber-security mechanisms with state estimation strategies and leveraging this situational awareness to assure energy services at strategic locations while exploiting AMI/PV inverter/ µPMU data. This CARE-PV project addresses the fundamental challenges in situational awareness and resilience to cyber and physical vectors by exploiting the synergy between innovative modeling, estimation, data analytics, testing and validation using smart PV inverters designed at K-State and facilities at NREL. Specifically, the project involved the development, testing and validation of the following novel enabling technologies: (Thrust 1) Resilience to cyber vectors that impact data integrity was addressed via a two-level defense strategy that combines cyber intrusion detection using self-learning, cooperative smart PV inverters, and a novel moving target defense framework to combat data integrity attacks. (Thrust 2) Resilience to cyber-physical vectors that impact situational awareness by limiting data availability was addressed via novel centralized and decentralized, sparsity-based static and dynamic state estimation approaches that enhance observability even when the underlying system is unobservable. (Thrust 3) Leveraging a unique probabilistic sensitivity analysis approach accompanied by one-of-a-kind dominant influencer set computation, the vulnerability of critical infrastructure at strategic locations was evaluated so that proactive PV-based control strategies can be used to support operations under normal/outage scenarios. These CARE-PV project innovations were demonstrated on both small-scale IEEE and larger utility-scale testbeds (Thrust 4). Feedback from Industry Advisory Board members was used to formulate a commercialization pathway for a subset of CARE-PV technologies. These CARE-PV technologies will ultimately lead to reliable and secure, large-scale integration of renewable energy and mitigate the risk of energy disruption resulting from cyber incidents and other emerging threats within the energy environment.

14 SOLAR ENERGY↗

DOE OSTI2021

New Energy Infrastructure Outlook 2021 [Slides]

This report provides a perspective on energy infrastructure under development in the continental U.S. as of the end of 2020, focusing on those making significant progress toward achieving commercial operation. Infrastructures covered in this report include power plants, electric transmission, natural gas pipelines and liquefied natural gas terminals. Additionally, this report includes a section on stockpiled volumes of coal, natural gas, and petroleum.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

The impact of the $\text{WHIM}$ on the $\text{IGM}$ thermal state determined from the low- z Lyman $\alpha$ forest

At z ≲ 1, shock heating caused by large-scale velocity flows and possibly violent feedback from galaxy formation, converts a significant fraction of the cool gas (T ~ 10 4 K) in the intergalactic medium (IGM) into warm–hot phase (WHIM) with T > 10 5 K, resulting in a significant deviation from the previously tight power-law IGM temperature–density relationship, T = T 0 (P/$\bar{p}$) γ-1 ⁠. This study explores the impact of the WHIM on measurements of the low-z IGM thermal state, [T 0 , γ], based on the b–NH 1 distribution of the Ly α forest. Exploiting a machine learning-enabled simulation-based inference method trained on Nyx hydrodynamical simulations, we demonstrate that [T 0 , γ] can still be reliably measured from the b–NH 1 distribution at z = 0.1, notwithstanding the substantial WHIM in the IGM. To investigate the effects of different feedback, we apply this inference methodology to mock spectra derived from the IllustrisTNG and Illustris simulations at z = 0.1. The results suggest that the underlying [T 0 , γ] of both simulations can be recovered with biases as low as |Δlog(T 0 /K)| ≲ 0.05 dex, |Δγ| ≲ 0.1, smaller than the precision of a typical measurement. Given the large differences in the volume-weighted WHIM fractions between the three simulations (Illustris 38 percent, IllustrisTNG 10 percent, and Nyx 4 per cent), we conclude that the b–N H1 distribution is not sensitive to the WHIM under realistic conditions. Finally, we investigate the physical properties of the detectable Ly α absorbers, and discover that although their T and Δ distributions remain mostly unaffected by feedback, they are correlated with the photoionization rate used in the simulation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Graph-component approach to defect identification in large atomistic simulations

In this work, the graph-theoretical concept of connected components is employed to extract the evolution of defect configurations in a polycrystalline aluminum structure containing ~8.3 million atoms. This graph-component approach is applied to reveal details of defect formation, transport, and transformation in the polycrystalline Al under large shear deformation. Building upon standard nearest neighbor analysis, graph theory and associated tools are used to reduce the multi-million-atom system into discrete component subgraphs that represent distinct structural defects. This method allows the automated identification, characterization, and tracking of defective regions within large volumes of data representing atomic-scale processes. Such analysis elucidates relationships between external stimuli, such as strain, and defect distributions, which have a large influence on material properties. The Graph Analytics for Large Atomistic Simulations (GALAS) codebase that implements this analysis, together with user guidance, is openly available at https://github.com/pnnl/galas.

36 MATERIALS SCIENCE↗

DOE OSTI2024

A Comprehensive Northern Hemisphere Particle Microphysics Data Set From the Precipitation Imaging Package

Microphysical observations of precipitating particles are critical data sources for numerical weather prediction models and remote sensing retrieval algorithms. However, obtaining coherent data sets of particle microphysics is challenging as they are often unindexed, distributed across disparate institutions, and have not undergone a uniform quality control process. This work introduces a unified, comprehensive Northern Hemisphere particle microphysical data set from the National Aeronautics and Space Administration precipitation imaging package (PIP), accessible in a standardized data format and stored in a centralized, public repository. Data is collected from 10 measurement sites spanning 34° latitude (37°N–71°N) over 10 years (2014–2023), which comprise a set of 1,070,000 precipitating minutes. The provided data set includes measurements of a suite of microphysical attributes for both rain and snow, including distributions of particle size, vertical velocity, and effective density, along with higher-order products including an approximation of volume-weighted equivalent particle densities, liquid equivalent snowfall, and rainfall rate estimates. The data underwent a rigorous standardization and quality assurance process to filter out erroneous observations to produce a self-describing, scalable, and achievable data set. Case study analyses demonstrate the capabilities of the data set in identifying physical processes like precipitation phase-changes at high temporal resolution. Bulk precipitation characteristics from a multi-site intercomparison also highlight distinct microphysical properties unique to each location. This curated PIP data set is a robust database of high-quality particle microphysical observations for constraining future precipitation retrieval algorithms, and offers new insights toward better understanding regional and seasonal differences in bulk precipitation characteristics.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Effect of the volume fraction gradient on the phase interaction force model for disperse two-phase flows

In this work, the effects of the particle volume fraction gradient on fluid-particle interactions are studied. The phase interaction force is decomposed into three terms. For the first term, namely the symmetrized force density, we present theoretical reasoning and numerical evidence to assume that it is independent of the particle volume fraction gradient. The second term is the particle volume fraction gradient times a newly introduced diffusion stress. The third term is the divergence of the particle-fluid-particle (PFP) stress. If this assumption of independence of the particle volume fraction gradient for the first term can be verified, to the first order of the ratio of the mean distance between particles to the macroscopic lengthscale, all three terms can be studied and modeled in flows with uniform particle distributions. Models thus obtained are applicable to statistically inhomogeneous flows, with the second and third terms accounting for statistical inhomogeneity. To verify this assumption, numerical simulations of flows passing fixed arrays of particles are performed. Both uniform and nonuniform particle volume fractions are studied and compared for disperse multiphase flows with the particle Reynolds numbers ranging from 1 to 100, and particle volume fraction ranging from 1% to 26% in statistically steady states. It is found that the symmetrized force (first) term can be well approximated by the drag force obtained from studies of uniform flows. The diffusion stress is positive along the flow direction and negative in the directions perpendicular to the flow. In the case of moving particles, this stress could potentially cause particle aggregation in the flow direction and dispersion in the directions perpendicular to the flow. Finally, the diffusion stress is only important when there is a volume fraction gradient, while the PFP stress can be important in inhomogeneous flows with either nonuniform particle concentrations or nonuniform average relative velocities between the phases.

42 ENGINEERING↗

DOE OSTI2020

Determining Proton Transport in Pseudo Catalyst Layers Using Hydrogen Pump DC and AC Techniques

Optimizing electrode morphology with a more uniform ionomer distribution is key to reducing ohmic losses and increasing electrocatalyst utilization in polymer electrolyte fuel cells (PEFCs). Inherent ionomer conductivity, volume fraction and tortuosity determine effective ionic conductivity. We use hydrogen pump (HP) method to measure effective ionic conductivity of a pseudo catalyst layer (PCL) comprised of Vulcan XC-72 carbon black and 3M 825 EW ionomer with ionomer to carbon (I/C) ratios of 0.6, 1 and 1.4 and relative humidity (RH) range of 50 to 120%. These direct current (DC) experiments are then compared with electrochemical impedance spectroscopy (EIS). Both DC and EIS methods show good agreement, indicating that EIS can be used as an alternative to DC method in HP experiment. Ionic conductivity for PCL with I/C of 1 and 1.4 was found to be about one order of magnitude higher than I/C of 0.6 for most of the RH range. At 90% RH tortuosities for I/C = 1 and 1.4 were close to 1, whereas tortuosity for I/C = 0.6 was 3. With decrease in relative humidity tortuosities increased linearly and at 50% relative humidity a PCL with I/C = 0.6 had the highest tortuosity of 6.1.

25 ENERGY STORAGE↗

DOE OSTI2024

Investigation of Ammonia Carrier Materials for Next Generation Ammonia Dosing System - CRADA 334 (Abstract)

Lean-burn gasoline and diesel engines can offer substantially higher fuel efficiency, good driving performance, and reduced carbon dioxide emission compared to stoichiometric gasoline engines. Various catalyst technologies have been developed to remove the pollutants from these engines. For example, a three-way catalyst (TWC) is used to remove hydrocarbons (HC), carbon monoxide (CO), and nitrogen oxides (NOx) from gasoline engines during the stoichiometric conditions. During the lean-burn conditions, a TWC or a diesel oxidation catalyst (DOC) is used to control HC and CO emissions. NOx is removed by either lean NOx trap catalyst (LNT) that can store NOx under lean conditions and reduce NOx under rich conditions, or selective catalytic reduction catalyst (SCR) that can selectively remove NOx with a reducing agent. Among the NOx reduction catalyst technologies, SCR offers a number of advantages, including excellent NOx reduction efficiency over a wide range of temperatures and overall lower system cost. In fact, the SCR technology using ammonia (NH3) as reductant has been proven effective and used commercially for the removal of NOx emissions from stationary sources since the 1970s. Currently, SCR is being used to meet the NOx emission standards for diesel engines in Europe and North America, and also being considered for meeting the future NOx emission standards for lean-burn gasoline engines. Because of the challenges associated with storage, handling and transportation of ammonia on a vehicle, aqueous urea solution (e.g., Diesel Exhaust Fluid, AdBlue) has been developed as ammonia storage compound for mobile applications. When the aqueous urea solution is sprayed into exhaust gas stream, urea is decomposed to release ammonia, which then reduces NOx over the downstream SCR catalyst. Although aqueous urea solution technology has enabled automakers and engine manufacturers to meet the current NOx emission standards, this process of releasing ammonia requires a hot exhaust gas and sufficient mixing, creating challenges for low temperature NOx emission control and aftertreatment system packaging. For these reasons, alternative technologies have been developed as ammonia sources (e.g., solid urea, ammonium carbamate, metal ammine chloride) during the past few years. These technologies promise more convenient handling and distribution of ammonia sources, and help maximize the low-temperature performance of SCR catalysts and reduce the overall system volume and weight. However, none of these alternative technologies can be successfully implemented without the industry consensus. Therefore, the USCAR SCR work group, which is comprised of representatives from GM, Ford, and Chrysler, has decided to investigate the potential alternative ammonia carriers, define common standard vehicle interfaces, and address personal and environmental safety concerns with part suppliers and chemical companies. Under this CRADA Project, USCAR and Battelle will investigate alternative ammonia carrier materials that are currently under development. Based on the data and information derived under the CRADA project, the USCAR SCR work group plans to build the consensus and make recommendations for the industry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Investigation of Ammonia Carrier Materials for Next Generation Ammonia Dosing System - CRADA 334 (Abstract)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Development of limited-view tomography for measurement of Spray G plume direction and liquid volume fraction

Abstract The method for direct injection of fuel in the cylinder of an IC engines is important to high-efficiency and low-emission performance. Optical spray diagnostics plays an important role in understanding plume movement and interaction for multi-hole injectors, and providing baseline understanding used for computational optimization of fuel delivery. Traditional planar or line-of-sight diagnostics fail to capture the liquid distribution because of optical thickness concerns. This work proposes a high-speed (67 kHz) extinction imaging technique at various injector rotations coupled to computed tomography (CT) for time-resolved reconstruction of liquid volume fraction in three dimensions. The number of views selected and processing were based on synthetic (modeled) liquid volume fraction data where extinction and CT adequately reconstructed each plume. The exercise showed that for an 8-hole, symmetric-design injector (ECN Spray G), only three different views are enough to reproduce the direction of each plume, and particularly the mean plume direction. Therefore, the number of views was minimized for experiments to save expense. Measurements applying this limited-view technique confirm plume–plume variations also detected with mechanical patternation, while providing better spatial and temporal resolution than achieved previously. Uncertainties due to the limited view within pressurized spray chambers, the droplet size, and optically thick regions are discussed. Graphic abstract

42 ENGINEERING↗

DOE OSTI2020

Characterization of Radiation Induced Defects Across Scales

The Whole Powder Pattern Modelling (WPPM) approach of diffraction line profile analysis (LPA) was applied for the first time on PuO 2 in order to understand the evolution of the microstructural properties as a function of process conditions. Crystallite size distributions and defect concentrations were determined by WPPM on three different PuO 2 samples - including one with a bimodal distribution and compared to the result of more common LPA analyses used in PuO 2 literature studies (e.g. Scherrer equation, double Voigt method). The conclusion was that a lognormal distribution of spherical crystallites with dislocations most closely represent the microstructure of PuO 2 produced by heating Pu 2 (C 2 O 4 ) 3 (H 2 O) 6 •3H 2 O between 650°C and 850°C. The volume-weighted mean column length (Lvol) parameter obtained from the double Voigt method for the monomodal samples were the same as the Lvol obtained from the WPPM within uncertainty. The two LPA methods did not agree on the Lvol parameters of the bimodal distribution sample with only the WPPM getting values that were consistent with the individual components. The WPPM can potentially provide more insight into future studies of the influences on the microstructure properties of PuO 2 .

36 MATERIALS SCIENCE↗