Publications

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On the path towards climate-neutral future mobility, the usage of synthetic fuels derived from renewable power sources, so-called e-fuels, will be necessary. Oxygenated e-fuels, which contain oxygen in their chemical structure, not only have the potential to realize a climate-neutral powertrain, but also to burn more cleanly in terms of soot formation. Polyoxymethylene dimethyl ethers (PODE or OMEs) are a frequently discussed representative of such combustibles. However, to operate compression ignition engines with these fuels achieving maximum efficiency and minimum emissions, the physical-chemical behavior of OMEs needs to be understood and quantified. Especially the detailed characterization of physical and chemical properties of the spray is of utmost importance for the optimization of the injection and the mixture formation process. The presented work aimed to develop a comprehensive CFD model to specify the differences between OMEs and dodecane, which served as a reference diesel-like fuel, with regards to spray atomization, mixing and auto-ignition for single- and multi-injection patterns. The simulation results were validated against experimental data from a high-temperature and high-pressure combustion vessel. The sprays’ liquid and vapor phase penetration were measured with Mie-scattering and schlieren-imaging as well as diffuse back illumination and Rayleigh-scattering for both fuels. To characterize the ignition process and the flame propagation, measurements of the OH* chemiluminescence of the flame were carried out. Significant differences in the ignition behavior between OMEs and dodecane could be identified in both experiments and CFD simulations. Liquid penetration as well as flame lift-off length are shown to be consistently longer for OMEs. Zones of high reaction activity differ substantially for the two fuels: Along the spray center axis for OMEs and at the shear boundary layers of fuel and ambient air for dodecane. Additionally, the transient behavior of high temperature reactions for OME is predicted to be much faster.

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A time domain algorithm has been developed to remove the vacuum pickup generated by both coil current (DC) and induced vessel current (AC) in real time from three dimensional (3D) magnetic diagnostic signals in the National Spherical Torus Experiment-Upgrade (NSTX-U) and DIII-D tokamaks. The possibility of detecting 3D plasma perturbations in real time is essential in modern and future tokamaks to avoid and control MHD instabilities. The presence of vacuum field pickup, due to toroidally asymmetric (3D) coils or to misalignment between sensors and axisymmetric (2D) coils, pollutes the measured plasma 3D field, making the detection of the magnetic field produced by the plasma challenging. Although the DC coupling between coils and sensors can be easily calculated and removed, the AC part is more difficult. An algorithm based on a layered low-pass filter approach for the AC compensation and its application for DIII-D and NSTX-U data is presented, showing that this method reduces the vacuum pickup to the noise level. Comparison of plasma response measurements with and without vacuum compensation shows that accurate mode locking detection and plasma response identification require precise AC and DC compensations.

The purpose of this effort is to investigate whether large acoustic pressure waves can be transmitted inside beverage containers to enable pasteurization. Acoustic waves are known to induce large nonlinear compressive forces and shock waves in fluids, suggesting that compression waves may be capable of damaging bacteria inside beverage containers without appreciably increasingly the temperature or altering the freshness and flavor of the beverage contents. Although a combined process such as thermosonication (e.g., sonication with heating) is likely more efficient, it is instructive to compute the acoustic pressure field distribution inside the beverage container. The COMSOL simulations used two and three-dimensional models of beverage containers placed in a water bath to compute the acoustic pressure field. A limitation of these COMSOL models is that they cannot determine the bacterial lysis efficiency, rather the models provide an indirect metric of bacterial lysis based on the magnitude of the pressure field and its distribution.

The parallel strong-scaling of iterative methods is often determined by the number of global reductions at each iteration. Low-synch Gram–Schmidt algorithms are applied here to the Arnoldi algorithm to reduce the number of global reductions and therefore to improve the parallel strong-scaling of iterative solvers for nonsymmetric matrices such as the GMRES and the Krylov–Schur iterative methods. In the Arnoldi context, the QR factorization is “left-looking” and processes one column at a time. Among the methods for generating an orthogonal basis for the Arnoldi algorithm, the classical Gram–Schmidt algorithm, with reorthogonalization (CGS2) requires three global reductions per iteration. A new variant of CGS2 that requires only one reduction per iteration is presented and applied to the Arnoldi algorithm. Delayed CGS2 (DCGS2) employs the minimum number of global reductions per iteration (one) for a one-column at-a-time algorithm. The main idea behind the new algorithm is to group global reductions by rearranging the order of operations. DCGS2 must be carefully integrated into an Arnoldi expansion or a GMRES solver. Numerical stability experiments assess robustness for Krylov–Schur eigenvalue computations. Performance experiments on the ORNL Summit supercomputer then establish the superiority of DCGS2 over CGS2.

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This report documents the progress made in simulating the HERMES-III Magnetically Insulated Transmission Line (MITL) and courtyard with EMPIRE and ITS. This study focuses on the shots that were taken during the months of June and July of 2019 performed with the new MITL extension. There were a few shots where there was dose mapping of the courtyard, 11132, 11133, 11134, 11135, 11136, and 11146. This report focuses on these shots because there was full data return from the MITL electrical diagnostics and the radiation dose sensors in the courtyard. The comparison starts with improving the processing of the incoming voltage into the EMPIRE simulation from the experiment. The currents are then compared at several location along the MITL. The simulation results of the electrons impacting the anode are shown. The electron impact energy and angle is then handed off to ITS which calculates the dose on the faceplate and locations in the courtyard and they are compared to experimental measurements. ITS also calculates the photons and electrons that are injected into the courtyard, these quantities are then used by EMPIRE to calculated the photon and electron transport in the courtyard. The details for the algorithms used to perform the courtyard simulations are presented as well as qualitative comparisons of the electric field, magnetic field, and the conductivity in the courtyard. Because of the computational burden of these calculations the pressure was reduce in the courtyard to reduce the computational load. The computation performance is presented along with suggestion on how to improve both the computational performance as well as the algorithmic performance. Some of the algorithmic changed would reduce the accuracy of the models and detail comparison of these changes are left for a future study. As well as, list of code improvements there is also a list of suggested experimental improvements to improve the quality of the data return.

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Estimation of two-phase fluid flow properties is important to understand and predict water and gas movement through the vadose zone for agricultural, hydrogeological, and engineering applications, such as for vapor-phase contaminant transport and/or containment of noble gases in the subsurface. In this second progress report of FY22, we present two ongoing activities related to imbibition testing on volcanic rock samples. We present the development of a new analytical solution predicting the temperature response observed during imbibition into dry samples, as discussed in our previous first progress report for FY22. We also illustrate the use of a multi-modal capillary pressure distribution to simulate both early- and late-time imbibition data collected on tuff core that can exhibit multiple pore types. These FY22 imbibition tests were conducted for an extended period (i.e., far beyond the time required for the wetting front to reach the top of the sample), which is necessary for parameter estimation and characterization of two different pore types within the samples.

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Structural modularity is critical to solid-state transformer (SST) and solid-state power substation (SSPS) concepts, but operational aspects related to this modularity are not yet fully understood. Previous studies and demonstrations of modular power conversion systems assume identical module compositions, but dependence on module uniformity undercuts the value of the modular framework. In this project, a hierarchical control approach was developed for modular SSTs which achieves system-level objectives while ensuring equitable power sharing between nonuniform building block modules. This enables module replacements and upgrades which leverage circuit and device technology advancements to improve system-level performance. The functionality of the control approach is demonstrated in detailed time-domain simulations. Results of this project provide context and strategic direction for future LDRD projects focusing on technologies supporting the SST crosscut outcome of the resilient energy systems mission campaign.

Advanced, superscalar microprocessors ((Formula presented.)) are highly susceptible to wear-out failures because of their highly complex, densely packed circuit structure and extreme operational frequencies. Although many types of fault detection and mitigation strategies have been proposed, none have addressed the specific problem of detecting faults that lead to information leakage events on I/O channels of the (Formula presented.). Information leakage can be defined very generally as any type of output that the executing program did not intend to produce. In this work, we restrict this definition to output that represents a security concern, and in particular, to the leakage of plaintext or encryption keys, and propose a counter-based countermeasure to detect faults that cause this type of leakage event. Fault injection (FI) experiments are carried out on two RISC-V microprocessors emulated as soft cores on a Xilinx multi-processor System-on-chip (MPSoC) FPGA. The (Formula presented.) designs are instrumented with a set of counters that records the number of transitions that occur on internal nodes. The transition counts are collected from all internal nodes under both fault-free and faulty conditions, and are analyzed to determine which counters provide the highest fault coverage and lowest latency for detecting leakage faults. We show that complete coverage of all leakage faults is possible using only a single counter strategically placed within the branch compare logic of the (Formula presented.).

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The goal of this project was test how different representations of state uncertainty impact human decision making. Across a series of experiments, we sought to answer fundamental questions about human cognitive biases and how they are impacted by visual and numerical information. The results of these experiments identify problems and pitfalls to avoid when for presenting algorithmic outputs that include state uncertainty to human decision makers. Our findings also point to important areas for future research that will enable system designers to minimize biases in human interpretation for the outputs of artificial intelligence, machine learning, and other advanced analytic systems.

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This project explores the idea of performing kinetic numerical simulations in the Z inner magnetically insulated transmission line (inner MITL) by reduced physics models such as a guiding center drift kinetic approximation for particles and electrostatic and magnetostatic approximation for the fields. The basic problem explored herein is the generation, formation, and evolution of vortices by electron space charge limited (SCL) emission. The results indicate that for relevant to Z values of peak current and pulse length, these approximations are excellent, while also providing tens to hundreds of times reduction in the computational load. The benefits could be enormous: Implementation of these reduced physics models in present particle-in-cell (PIC) codes could enable them to be routinely used for experimental design while still capturing essential non-thermal (kinetic) physics.

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The goal of this workshop is to role play and walk through various UAS incursion scenarios to: 1. Recognize the complex interactions between physical protection, response, and UAS technologies in a nuclear security event; 2. Identify potential regulatory and legal complications dealing with UAS as aircraft; 3. Identify communication/coordination touch points with facility security and law enforcement; 4. Identify possible physical security and response strategies to help mitigate UAS impact.

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