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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.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Realizability-preserving discontinuous Galerkin method for spectral two-moment radiation transport in special relativity

Here we present a realizability-preserving numerical method for solving a spectral two-moment model to simulate the transport of massless, neutral particles interacting with a steady background material moving with relativistic velocities. The model is obtained as the special relativistic limit of a four-momentum-conservative general relativistic two-moment model. Using a maximum-entropy closure, we solve for the Eulerian-frame energy and momentum. The proposed numerical method is designed to preserve moment realizability, which corresponds to moments defined by a nonnegative phase-space density. The realizability-preserving method is achieved with the following key components: (i) a discontinuous Galerkin phase-space discretization with specially constructed numerical fluxes in the spatial and energy dimensions; (ii) a strong stability-preserving implicit-explicit time-integration method; (iii) a realizability-preserving conserved to primitive moment solver; (iv) a realizability-preserving implicit collision solver; and (v) a realizability-enforcing limiter. Component (iii) is necessitated by the closure procedure, which closes higher order moments nonlinearly in terms of primitive moments. The nonlinear conserved to primitive and the implicit collision solves are formulated as fixed-point problems, which are solved with custom iterative solvers designed to preserve the realizability of each iterate. With a series of numerical tests, we demonstrate the accuracy and robustness of this discontinuous-Galerkin-implicit-explicit method.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Measured Thermal and Fast Neutrons Fluence Rates for ATF-1 Holders During ATR Cycle 166B

This report contains the thermal (2200 m/s) and fast (E>lMeV) neutron fluence rate data for the ATF-1 holders located in core for ATR Cycle 166B which were measured by the Radiation Measurements Laboratory (RML) as requested by the Power Reactor Programs (ATR Experiments) Radiation Measurements Work Order. This report contains measurements of the fluence rates corresponding to the particular elevations relative to the 80-ft. core elevation. The data in this report consist of (1) a table of the ATR power history and distribution, (2) a hard copy listing of all thermal and fast neutron fluence rates, and (3) plots of both the thermal and fast neutron fluence rates. All "BR" holder monitor wires for this cycle are 56.375 inches long. This length allows measurements from 31.17 inches above core midplane to 19.81 inches below core midplane. The distance from the end of the wires to the first count position was 4.25 inches for all wires counted from this cycle. The monitors were located in an outward small I-holes,1-22 and 1-23. Thermal neutron fluence was determined based on the activation of the CoAl wires and resonance corrections determined in the irradiation of Cycle 152A when the RML measured cadmium-covered as well as bare neutron monitors in the Southwest, Southeast, and H positions at the Center lobe to determine the division in neutron energy between epithermal and thermal neutrons. For more information please refer to letter “Radiation Measurements Laboratory measurements of in core ATR physics testing during cycle 152A. The measured values documented in RML procedure, “ACMM-3600, Flux Monitoring,” will be used indefinitely until further measurements supersede the current values. Fast neutron fluence was determined using the activation of nickel wires. Typically, a fission spectrum averaged cross section (E>1 MeV) is used as determined in detailed measurements described in “ATR Neutron Spectral Characterization,” which gives an effective cross section of 97 mb for the small I-holes. However, those measurements were performed with unfueled experiments. The fast fluence values reported here use a perturbed 114 mb effective>1 MeV spectrum averaged cross section for the small I-holes based on MCNP simulations for a previous fueled experiment in the1-24 position. Refer to “LWR- ATR Irradiation Measured Thermal and Fast Neutron Fluence Rates ATR CYCLE 133A 04/19/04 thru 05/17/04” for more information.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Analytical Sensitivity Analysis of a Spent Nuclear Fuel Cask

Here, we report nuclear science and engineering is a field increasingly dominated by computational studies resulting from increasingly powerful computational tools. As a result, analytical studies, which previously pioneered nuclear engineering, are increasingly viewed as secondary or unnecessary. However, analytical solutions to reduced-fidelity models can provide important information concerning the underlying physics of a problem and aid in guiding computational studies. Similarly, there is increased interest in sensitivity analysis studies. These studies commonly use computational tools. However, providing a complementary sensitivity study of relevant analytical models can lead to a deeper analysis of a problem. This work provides the analytical sensitivity analysis of the one-dimensional (1D) cylindrical mono-energetic neutron diffusion equation using the forward sensitivity analysis procedure (FSAP) developed by Cacuci. Further, these results are applied to a reduced-fidelity model of a spent nuclear fuel cask, demonstrating how computational analysis might be improved with a complementary analytic sensitivity analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

The Beam Dump eXperiment

Hadronic matter makes about 14% of the known universe. The remaining 86% is Dark Matter (DM). Since it does not interact with the ordinary matter via electromagnetic force, DM is not visible and, to date, it escaped detection. The search for Dark Matter (DM) is one of the hottest topic in modern physics. Despite the increasing number of astrophysical and cosmological observations proving the existence, so far no particle physics experiment has detected DM yet. Up to now, most of the experimental efforts have been focused on the so called WIMP (Weakly Interacting Massive Particle) paradigm, which predicts heavy DM (10 GeV-10 TeV mass range) interacting with Standard Model (SM) particles via the weak force mediators (W or Z bosons). More recently, due to the lack of clear evidence of WIMPs, other models of DM gained the interest of the physics community. These models consider Light DM particles (LDM), in MeV-GeV mass range. Among LDM theories, the Dark Photon theory predicts the existence of a Dark Sector interacting with SM particles via a new massive vector boson (Dark Photon, Heavy Photon or A0), mediator of a new force. This scenario, despite being theoretically well motivated, is remarkably experimentally unexplored. The Beam Dump eXperiment (BDX), is an approved experiment at Jefferson Lab (JLab), aiming to discover the DM predicted witihn the Dark Photon theory. The experiment uses the CEBAF (Continuous Electron Beam Accelerator Facility) 11 GeV electron beam, impinging on the JLab Hall-A beam-dump, to produce a beam of DM particles, detected by a ~ 1 m3 detector made of thallium doped cesium iodide (CsI(Tl)) crystals located ~ 20 m downstream. In order to achieve excellent background rejection, the experimental setup includes active vetos and passive shielding surrounding CsI(Tl) crystals. Given the weakness of the DM-SM interaction, the scattering of a DM particle in the BDX detector is a rare event. Therefore, the characterization of the expected background is a critical aspect of the experiment. Both cosmogenic and penetrating SM particles produced by the beam interaction in the dump contribute to the background of the experiment. While the cosmogenic contribution can be measured during the experiment when the beam is off, beam-related background can only be estimated via Monte Carlo (MC) simulations. Therefore, a careful assessment of possible systematics introduced by the MC is needed. The beam-correlated background characterization was made by measuring the muon flux produced by the interaction of the CEBAF beam with Hall-A dump in a dedicated experimental campaign in spring 2018 [1]. The comparison to the ?ux predicted by MC allowed us to validate the BDX simulation framework. The reach of BDX, i.e. the region that the experiment can probe in the LDM theory parameter space, depends critically on the background rejection capability and signal detection effciency. For this reason, the detector setup was fine-tuned through a dedicated study. The response to LDM and background events was evaluated for different setups and selection cuts. As a result of this procedure, the configuration resulting in the best sensitivity was selected [2]. The reach calculation was performed taking into account the different LDM production mechanisms, including the contribution of secondary particles produced in the beam-dump. In particular, the effect of the secondary positrons annihilation was found to be extremely significant. In the majority of the sensitivity studies, this contribution is neglected, but recent results [3] [4] demonstrated that this process significantly enhances the sensitivity of lepton beam-dump experiments. Currently, the BDX collaboration is focused on the deployment and operation of a small detector, called BDX-MINI, built to perform a preliminary physics measurement searching for LDM at JLab. This test will pave the way to the realization of the full BDX experiment. The measurement is currently ongoing but results are expected by the end of this year. During my PhD I was involved in all aspects of the BDX experiment: design, simulation, prototyping and data analysis. The main results of my work are reported in this thesis. This manuscript is organized as follows: the first Chapter provides an introduction to the theory of LDM, with particular attention to the Dark Photon paradigm; the second Chapter illustrates the BDX experimental setup, the LDM production and detection mechanisms and the expected backgrounds; Chapter 3 and 4 describe, respectively, the BDX-HODO measurement, with a detailed description of the simulations, and the BDX experimental setup and analysis cuts optimization. Chapter 5 reports about BDXMINI detector characterization, calibration and sensitivity estimate. Finally, Chapter 6 describes in detail the calculation of the secondary positron annihilation contribution to the sensitivity of BDX and other electron-beam thick-target experiment.

Marsicano, Luca↗
DOE OSTI2021

Inter-well connectivity detection in CO 2 WAG projects using statistical recurrent unit models

Routine well-wise injection and production measurements contain significant information on subsurface structure and properties. Data-driven technology that interprets surface data into subsurface structure or properties can assist operators in making informed decisions by providing a better understanding of field assets. Our machine-learning framework is built on the statistical recurrent unit (SRU) model and interprets well-based injection/production data into inter-well connectivity without relying on a geologic model. We test it on synthetic and field-scale CO 2 EOR projects utilizing the water-alternating-gas (WAG) process. SRU is a special type of recurrent neural network (RNN) that allows for better characterization of temporal trends, by learning various statistics of the input at different time scales. In our application, the complete states (injection rate, pressure and cumulative injection) at injectors and pressure states at producers are fed to SRU as the input and the phase rates at producers are treated as the output. Once the SRU is trained and validated, it is then used to assess the connectivity of each injector to any producer using permutation variable importance method, wherein inputs corresponding to an injector are shuffled and the increase in prediction error at a given producer is recorded as the importance (connectivity metric) of the injector to the producer. This method is tested in both synthetic and field-scale cases. The validation of the proposed data-driven inter-well connectivity assessment is performed using synthetic data from simulation models where inter-well connectivity can be easily measured using the streamline-based flux allocation. The SRU model is shown to offer excellent prediction performance on the synthetic case. Despite significant measurement noise and frequent well shut-ins imposed in the field-scale case, the SRU model offers good prediction accuracy, the overall relative error of the phase production rates at most producers ranges from 10% to 30%. It is shown that the dominant connections identified by the data-driven method and streamline method are in close agreement. This significantly improves confidence in our data-driven procedure. The novelty of this work is that it is purely data-driven method and can directly interpret routine surface measurements to intuitive subsurface knowledge. Furthermore, the streamline-based validation procedure provides physics-based backing to the results obtained from data analytics. This study results in a reliable and efficient data analytics framework that is well-suited for large field applications.

42 ENGINEERING↗
DOE OSTI2021

Multilevel Spectral Coarsening for Graph Laplacian Problems with Application to Reservoir Simulation

We extend previously developed two-level coarsening procedures for graph Laplacian problems written in a mixed saddle point form to the fully recursive multilevel case. The resulting hierarchy of discretizations gives rise to a hierarchy of upscaled models, in the sense that they provide approximation in the natural norms (in the mixed setting). This property enables us to utilize them in three applications: (i) as an accurate reduced model, (ii) as a tool in multilevel Monte Carlo simulations (in application to finite volume discretizations), and (iii) for providing a sequence of nonlinear operators in a full approximation scheme for solving nonlinear pressure equations discretized by the conservative two-point flux approximation. Finally, we illustrate the potential of the proposed multilevel technique in all three applications on a number of popular benchmark problems used in reservoir simulation.

multilevel Monte Carlo↗
DOE OSTI2024

Rejection of malathion by nanofiltration and reverse osmosis membranes exposed to foulant and two clean-in-place procedures

This research tested the treatment efficacy of an Energy Savings Nanofiltration 1 Low Fouling (ESNA 1-LF) nanofiltration (NF) and an Energy Saving Polyamide 2 (ESPA2) reverse osmosis (RO) membrane for removing malathion from water. Both membranes are of composite polyamide construction. The study included measuring malathion rejection using both pristine membranes and membranes exposed to a simulated secondary wastewater effluent foulant before and after two types of clean-in-place procedures. Across all conditions studied, malathion rejection ranged from 84 to 95% for the ESNA1-LF NF membrane and 77 to 94% for the ESPA2 RO membrane. Contact angle measurements were also collected for each membrane exposure condition. While the contact angle measurements indicated changes to the hydrophobicity of the selective layer of the membranes, they did not correlate to changes in the performance of malathion rejection. As expected, it was observed that malathion rejection improved with the introduction of foulant. Also, the clean-in-place procedures helped restore flux while maintaining malathion rejection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Structure of Offshore Low-Level Jet Turbulence and Implications to Mesoscale-to-Microscale Coupling

This paper explores realistic nonstationary atmospheric boundary layer (ABL) turbulence arising from nonstationarity at the mesoscale, particularly within offshore low-level jets with implications to offshore wind farms, using high-fidelity multiscale large-eddy simulations (LES). To this end, we analyzed the single-point turbulence statistical structure of a North-Atlantic offshore LLJ event simulated using high-resolution LES (AMR-Wind). The nonstationary LLJ is simulated using a mesoscale-to-microscale coupled (MMC) simulation procedure involving data assimilation of mesoscale velocity and temperature data from the Weather Research and Forecasting (WRF) model. Unlike the assimilation of mesoscale velocity data into the LES, the direct assimilation of temperature profiles had a strong impact on turbulence stratification, thereby causing erroneous predictions of turbulence both above and within the jet layer. Various approaches to mitigate this effect have resulted in multiple (four) variants of this MMC strategy. Outcomes from this work clearly show that the turbulence within the low-level jet is a strong function of the MMC approach as the turbulence structure within the low-level jet is dependent on the flux of residual turbulence from outside the jet, which in turn depends on the temperature forcing history. Additionally, the turbulence predicted by all these different methods (as well as the observation data) show similar deviations from equilibrium as evidenced by comparisons with idealized atmospheric turbulence structure obtained using the same numerical method. In general, we observe that the predicted LLJ turbulence tends to differ from canonical ABL turbulence with comparable shear. Particularly, the combination of shear and turbulence observed in such nonstationary low-level turbulence cannot be matched using equilibrium settings and therefore, represents a critical use-case for both testing and leveraging meso–micro coupling strategies.

17 WIND ENERGY↗
DOE OSTI2024

The importance of delayed neutron precursors in gamma dose calculations for activated primary heat exchanger components in the Molten Salt Breeder Reactor

The Molten Salt Reactor (MSR) Multiphysics Applications technical area in the Nuclear Energy Advanced Modeling and Simulation program has supported the development of 3D Monte Carlo models of the Molten Salt Breeder Reactor (MSBR) over the last couple of years. This MSBR model was previously run with the Shift Monte Carlo code to perform radiation shielding calculations in the reactor cell area. The MSBR is a 2250 MWth (1000 MWe) liquid-fueled molten salt reactor design developed at Oak Ridge National Laboratory in the 1970s. Determining the source terms from activated primary heat exchanger (HX) components is important because delayed and prompt neutron fluxes incident on these components affect the dose rate in the primary HX maintenance areas. This information can be used in the development of remote handling procedures required during shutdown for maintenance. A methodology has been developed and is proposed in this paper to quantify the activated source term from the primary HX components as a result of the movement of the delayed neutron precursors in flowing primary fuel salt through the primary HXs in the MSBR. The goal of this research is to evaluate the gamma dose rates in the maintenance hatches above the primary HX using the activated HX source terms. The study showed that the gamma dose rates are approximately two orders of magnitudes higher when accounting for the neutron activation from the movement of delayed neutron precursors through the HXs than when flowing fuel is not considered. Thus, the movement of delayed neutron precursors must be taken into account for accurately predicting the neutron activation of primary loop components.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Predicting large-scale pool fire dynamics using an unsteady flamelet- and large-eddy simulation-based model suite

A low-Mach, unstructured, large-eddy-simulation-based, unsteady flamelet approach with a generalized heat loss combustion methodology (including soot generation and consumption mechanisms) is deployed to support a large-scale, quiescent, 5-m JP-8 pool fire validation study. The quiescent pool fire validation study deploys solution sensitivity procedures, i.e., the effect of mesh and time step refinement on capturing key fire dynamics such as fingering and puffing, as mesh resolutions approach O(1) cm. A novel design-order, discrete-ordinate-method discretization methodology is established by use of an analytical thermal/participating media radiation solution on both low-order hexahedral and tetrahedral mesh topologies in addition to quadratic hexahedral elements. Here, the coupling between heat losses and the flamelet thermochemical state is achieved by augmenting the unsteady flamelet equation set with a heat loss source term. Soot and radiation source terms are determined using flamelet approaches for the full range of heat losses experienced in fire applications including radiative extinction. The proposed modeling and simulation paradigm are validated using pool surface radiative heat flux, maximum centerline temperature location, and puffing frequency data, all of which are predicted within 10% accuracy. Simulations demonstrate that under-resolved meshes predict an overly conservative radiative heat flux magnitude with improved comparisons as compared to a previously deployed hybrid Reynolds-averaged Navier–Stokes/eddy dissipation concept-based methodology.

42 ENGINEERING↗
DOE OSTI2021

Assembly and Analysis of Cell-Scale Membrane Envelopes

The march toward exascale computing will enable routine molecular simulation of larger and more complex systems, for example, simulation of entire viral particles, on the scale of approximately billions of atoms-a simulation size commensurate with a small bacterial cell. Anticipating the future hardware capabilities that will enable this type of research and paralleling advances in experimental structural biology, efforts are currently underway to develop software tools, procedures, and workflows for constructing cell-scale structures. Herein, we describe our efforts in developing and implementing an efficient and robust workflow for construction of cell-scale membrane envelopes and embedding membrane proteins into them. A new approach for construction of massive membrane structures that are stable during the simulations is built on implementing a subtractive assembly technique coupled with the development of a structure concatenation tool (fastmerge), which eliminates overlapping elements based on volumetric criteria rather than adding successive molecules to the simulation system. Using this approach, we have constructed two "protocells" consisting of MARTINI coarse-grained beads to represent cellular membranes, one the size of a cellular organelle and another the size of a small bacterial cell. The membrane envelopes constructed here remain whole during the molecular dynamics simulations performed and exhibit water flux only through specific proteins, demonstrating the success of our methodology in creating tight cell-like membrane compartments. Extended simulations of these cell-scale structures highlight the propensity for nonspecific interactions between adjacent membrane proteins leading to the formation of protein microclusters on the cell surface, an insight uniquely enabled by the scale of the simulations. We anticipate that the experiences and best practices presented here will form the basis for the next generation of cell-scale models, which will begin to address the addition of soluble proteins, nucleic acids, and small molecules essential to the function of a cell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

In situ monitoring of the stopped muon flux at Mu2e

The specific object of Mu2e search is the neutrino-less coherent $\mu^-\rightarrow e^-$ conversion in the field of an aluminum nucleus and the signal is a monoenergetic electron of energy $ \approx 104.97$ MeV. This process is forbidden in the Standard Model but allowed in many of its extensions: with minimal changes to include neutrino masses and oscillation, the Branching Ratio of this process, or the similarly interesting $\mu\rightarrow e \gamma$ decay, is expected to be of the order of $\mathcal{O}(10^{-54})$. Values like these are below any currently achievable experimental sensitivity, and the observation of a signal would be unambiguous evidence of New Physics. The upper limit on the muon conversion was set by SINDRUM II at $7\times10^{-13}$ (90\% C.L.) and the goal of the Mu2e collaboration is an improvement of 4 order of magnitudes.\\ The Mu2e experiment can be conceptually divided into three stages: interaction of the primary proton pulse with the tungsten target a nd production of $\pi$ and $\mu$; collection and transport of the produced particles down to the aluminum stopping target; interaction with the stopping target and measurement of the output particles. The measurement of the stopped muon flux is of cardinal importance for the normalization of the Mu2e results. The baseline design includes two detectors developed to measure this flux, counting $\gamma$ emitted by the muonic atoms: HPGe and LaBr$_3$(Ce). The studies performed by the Mu2e Collaboration show that these two systems can be reliably used to determine the overall normalization.\\ The number of stopped muons is proportional to the number of protons on target, which itself depends on the extraction system for the proton beam. The Mu2e beam delivery system will use a resonant extraction to create the proton pulses and this method is characterized by intensity fluctuations on the time scale of milliseconds. These fluctuations, aside from the proportional fluctuation of t he number of muons, have a non-trivial impact on the overall! performance of the apparatus. For example, higher intensity proton bunches translate into higher veto rates by the Cosmic Rays Veto system, which is triggered by secondary particles generated by the proton interaction. Another example is the effect of the instantaneous luminosity on the reconstruction efficiency: higher intensity translates into higher detector occupancy, which in turn reduces the reconstruction efficiency.\\ The two cited detectors encounter limitations when trying to monitor the flux at the millisecond timescales: HPGe is by construction a slow detector while the rate of emission of the $\gamma (1809\textrm{ keV})$ the LaBr$_3$(Ce) will measure is too low. As of today, no system allows to monitor these fluctuations and the goal of this Thesis is to try filling this gap. The method we developed to monitor the fluctuations of the stopped muon flux, and by extension, the fluctuation in the proton pulses intensity is based on counting the number of muons capt ured in the stopping target by counting the number of protons produced in the process of the nuclear muon capture. This is one of the possible processes a stopped muon can undergo and it can lead to the ejection of charged particles.\\ The reconstruction algorithms were developed by the Mu2e collaboration with the explicit (and sometimes implicit) aim to reconstruct tracks of electrons in an energy range of a conversion electron. The protons we are interested in behave quite differently from these electrons and the cardinal task of this study has been to tailor the reconstruction routines to these particles. This has been done by analyzing simulated events consisting of a single proton to optimize the procedure and understand the features of these tracks. A major difference with respect to the electrons is the non-relativistic nature of $100\div300$ MeV$/c$ protons: accounting for the low velocity is both a challenge and a unique signature of the tracks.\\ The use of a pulse d beam and the need to allow produced $\pi$ to decay and $\m! u$ to int! eract in the stopping target forces the definition of a Mu2e \textit{event}: an event is comprised by everything which happens in a $1.7\ \mu$s window between the incidence two consecutive proton pulses. This means that the reconstruction will be performed in an environment crowded by many different particles. The next step of this study has been to estimate the performance of the method in a fully-fledged Mu2e simulated event and to study what kind of selections would improve it.\\ Our results are satisfactory since the number of reconstructed protons is significant (few per event), and show that a monitor on the timescale of milliseconds is indeed possible.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

The Timepix4 analog front-end design: Lessons learnt on fundamental limits to noise and time resolution in highly segmented hybrid pixel detectors

This manuscript describes the optimization of the front-end readout electronics for high granularity hybrid pixel detectors. The theoretical study aims at minimizing the noise and jitter. The model presented here is validated with both circuit post layout simulations and measurements on the Timepix4 Application Specific Integrated Circuit (ASIC). The analog front-end circuit and the procedure to optimize the dimensions of the main transistors are described with detail. The Timepix4 is the most recent ASIC designed in the framework of the Medipix4 Collaboration. It was manufactured in 65nm CMOS process, and consists of a four side buttable matrix of 448 × 512 pixels with 55µm pitch. The analog front-end has a gain of ~36mV/ke - when configured in High Gain Mode, and ~20mV/ke - when configured in Low Gain Mode. The Equivalent Noise Charge (ENC) is ~68e - rms and ~80e - rms in High Gain Mode and in Low Gain Mode respectively. In event driven mode the incoming hits can be time stamped within a ~ 200ps time bin and the chip can deal with a maximum flux of ~ 3.6MHzmm –2 s –1 . In photon counting mode, the chip can deal with up to ~ 5GHzmm –2 s –1 . The routine designed to optimize the Timepix4 front-end is then used to analyze the performance limits in terms of jitter and noise for Charge Sensitive Amplifiers in pixel detectors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Conservative discontinuous Galerkin interpolation: Sheared boundary conditions

Local studies of accretion disks and laboratory magnetized plasmas employ analytical coordinate mappings that introduce sheared boundary conditions (BCs). Here, we present a discontinuous Galerkin (DG) algorithm to apply such BCs based on projections and quadrature-free integration. The procedure is high-order accurate, preserves moments exactly and works in multiple dimensions. Tests of increasing complexity are provided, beginning with translations of one and two dimensional fields, followed by 3D and 5D simulations with sheared (twist-shift) BCs. Results show that the algorithm is (p + 1)-order accurate in the DG representation and (p + 2) -order accurate in the cell averages, with p being the order of the polynomial basis. Quantification of the algorithm's hyperdiffusion and discussion of aliasing errors are given. This technique enables conservative local simulations of plasma turbulence with DG, not possible until now.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Engineering Nanostructured Interfaces of Hexagonal Boron Nitride-Based Materials for Enhanced Catalysis

Hexagonal boron nitrides (h-BNs) are attractive two-dimensional (2D) nanomaterials that consist of alternating B and N atoms and layered honeycomb-like structures similar to graphene. They have exhibited unique properties and promising application potentials in the field of energy storage and transformation. Recent advances in utilizing h-BN as a metal-free catalyst in the oxidative dehydrogenation of propane have triggered broad interests in exploring h-BN in catalysis. However, h-BN-based materials as robust nanocatalysts in heterogeneous catalysis are still underexplored because of the limited methodologies capable of affording h-BN with controllable crystallinity, abundant porosity, high purity, and defect engineering, which played important roles in tuning their catalytic performance. Here, in this account, our recent progress in addressing the above issues will be highlighted, including the synthesis of high-quality h-BN-based nanomaterials via both bottom-up and top-down pathways and their catalytic utilization as metal-free catalysts or as supports to tune the interfacial electronic properties on the metal nanoparticles (NPs). First, we will focus on the large-scale fabrication of h-BN nanosheets (h-BNNSs) with high crystallinity, improved surface area, satisfactory purity, and tunable defects. h-BN derived from the traditional approaches using boron trioxide and urea as the starting materials generally contains carbon/oxygen impurities and has low crystallinity. Several new strategies were developed to address the issues. Using bulk h-BN as the precursor via gas exfoliation in liquid nitrogen, single- or few-layered h-BNNS with abundant defects could be generated. Amorphous h-BN precursors could be converted to h-BN nanosheets with high crystallinity assisted by a magnesium metallic flux via a successive dissolution/precipitation/crystallization procedure. The as-fabricated h-BNNS featured high crystallinity and purity as well as abundant porosity. An ionothermal metathesis procedure was developed using inorganic molten salts (NaNH 2 and NaBH 4 ) as the precursors. The h-BN scaffolds could be produced on a large scale with high yield, and the as-afforded materials possessed high purity and crystallinity. Second, utilization of the as-prepared h-BN library as metal-free catalysts in dehydrogenation and hydrogenation reactions will be summarized, in which they exhibited enhanced catalytic activity over the counterparts from the previous synthesis method. Third, the interface modulation between metal NPs with the as-prepared defects’ abundant h-BN support will be highlighted. The h-BN-based strong metal–support interaction (SMSI) nanocatalysts were constructed without involving reducible metal oxides via the ionothermal procedure we developed by deploying specific inorganic metal salts, acting as robust nanocatalysts in CO oxidation. Under conditions simulated for practical exhaust systems, promising catalytic efficiency together with high thermal stability and sintering resistance was achieved. Across all of these examples, unique insights into structures, defects, and interfaces that emerge from in-depth characterization through microscopy, spectroscopy, and diffraction will be highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Accuracy of kinetic equilibrium reconstruction of NSTX and NSTX-U plasmas and its impact on the transport and stability analysis

An accurate magnetohydrodynamic (MHD) equilibrium reconstruction is an essential starting point for stability and transport plasma analysis. Herein this work describes an approach for obtaining kinetic equilibrium reconstructions using the OMFIT framework, which has been applied for the first time to spherical tokamak data from NSTX and NSTX-U. The EFIT equilibrium solver is integrated with experimental data analysis procedures and subsequent TRANSP transport simulations to enhance the accuracy of the reconstruction, in particular, at the edge region, by adding constraints on the total pressure and current density profiles, based on the transport code solution. The accuracy of the equilibrium reconstruction depends on the uncertainty and number of constraints, as well as the choice of basis functions to represent the pressure and current density profiles. Improved fidelity of the equilibrium reconstruction is demonstrated by reducing the variability of the magnetic axis and boundary locations from several centimeters, for reconstructions based on magnetic and experimental pressure constraints, to only several millimeters, for kinetic reconstructions based on transport code constraints, when different representations of basis functions were tested. The variability of the safety factor on axis was reduced ten times in the same sensitivity study. The accuracy of the equilibrium reconstruction and subsequent mapping of the experimental kinetic profile data have a significant impact on the trapped gyro Landau fluid and linear CGYRO turbulence simulations, which predict different spectra of unstable modes and turbulent fluxes for cases with different numbers of constraints in the equilibrium reconstruction. Conversely, the stability analysis performed using the GATO code shows plasmas that are stable to n = 1 MHD modes in both equilibria using magnetic and experimental pressure constraints as well as the transport code constrained equilibrium. However, a scan of parameters away from these conditions shows considerable deviation in the threshold of unstable modes between these reconstructions. Therefore, for reliable plasma analysis and use in turbulence and stability calculations, a high-fidelity equilibrium reconstruction with accurate kinetic constraints based on transport code solutions is necessary.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A reduced-order modeling of a tubular solar reactor for long duration thermochemical energy storage

The storage of solar energy in a solid form, referred to as a “solar fuel”, can be achieved through a process known as endothermic solar thermochemistry. This process transforms the absorbed solar energy into a stable and retrievable form that can be stored for extended periods of time. This paper presents a low–order heat transfer model of a counter–current tubular falling bed reactor designed to produce thermally reduced magnesium manganese oxide pellets for long duration thermochemical energy storage. The energy required for the endothermic reduction was supplied by concentrated solar energy or renewable electricity via indirect heating of the gas and solid reactants flowing in a ceramic tube. The counter-current gas flow enhances the mixing of the solid particles with the heat recuperation zone, allowing the gas and particles to enter and exit the tubular reactor close to room temperature. Further, the reactor was vertically oriented and was heated circumferentially by an adjustable level heat flux along a finite segment of its length. The temperature distribution of the reactor in response to transient changes along the tube was modeled by considering conduction, convection, and radiation heat transfer. Governing equations for the heat transfer model were solved by discretizing the reactor tube into a finite number of control volumes and using an energy balance for the heat exchange between the reactor wall, gas, and particles within the control volume. The energy absorbed during this endothermic reaction was modeled numerically by fitting the data of the chemical conversion rate with the corresponding temperature of particles in the heating zone. The numerical model has been experimentally validated using a reactor prototype made of a 121.92 cm alumina tube heated by a 7kW electric tube–furnace. The alumina tube receives magnesium manganese oxide pellets of 3.66±0.516 mm in diameter from the top, and a counter–current gas flow from the bottom. The reactor wall temperature was monitored by six thermocouples installed along the reactor tube length. The experimental procedure was numerically simulated, and the temperature variation along the reactor tube was compared with a matrix of experimental runs for a range of particles mass flowrates (0.75–1.25g/s) and corresponding gas flowrates (36–65 SLPM). The reactor system was heated gradually from room temperature to a steady state temperature of 1673K, and then cooled down to room temperature. The heating and cooling processes were simulated, and the numerical and experimental results were compared throughout processes. The numerical model showed similar trends to the experimental results, with an error of 0.69 to 7.9% for the particle inlet and 0.7 to 7.9% for the gas inlet during steady-state operation. The proposed numerical model can be implemented as a simplified physical model to design a feedback control system to regulate reactor temperature.

14 SOLAR ENERGY↗
DOE OSTI2022

A Two-Step Control Approach for Torque Ripple and Vibration Reduction in Switched Reluctance Motor Drives

The objective of this work is to reduce the torque ripple and vibration in Switched Reluctance Motor (SRM) drives. To achieve such a goal, a two-step approach is proposed. In the first step, the reference current is profiled using an optimization method, aimed to reduce the torque pulsation. In the second, the optimum current profile is applied to the SRM through an adaptive hysteresis band controller to actively cancel the radial vibration. The proposed technique uses an optimization procedure based on the Field Reconstruction Method (FRM) and Non-Derivative Optimization Method to find the optimal current profile that mitigates the torque pulsation, however, the investigation has shown that the proposed excitation leads to a higher radial vibration, which has been mitigated by using an adaptive hysteresis band controller. The theoretical basis for the proposed approach is initially presented, followed by system modeling and simulation. In addition, experimental verification has been conducted using an 8/6 SRM to show the feasibility of the proposed approach. The proposed method alleviates the acoustic noise and torque pulsation in SRM and offers an effective step towards the prevalent use of SRM in a wide range of applications.

42 ENGINEERING↗