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DOE OSTI2022

Benchmark Specifications for Select Experiments Conducted at the Kansas State University Gallium Thermal-hydraulic Experiment Facility

The Department of Energy (DOE) – Nuclear Energy University Programs (NEUP) supported the creation and operation of the Gallium Thermal-hydraulic Experiment (GaTE) facility at Kansas State University (KSU) as part of a larger effort to understand thermal stratification behavior in liquid-metal-cooled reactors. GaTE was designed to simulate transients in a reactor plenum that are known to cause thermal stratification. High-reliability and high-resolution measurements describing stratification behavior in the coolant were collected for use as experimental benchmarks in validation efforts for computational models. The results of these tests contribute to a greater understanding of thermal stratification behavior of liquid metal under various configurations and operating conditions. This report provides a complete description of the benchmark problem, including all necessary details and description of a set of four forced flow and four natural circulation tests and measured data for comparison with model results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

A non-modal analytical method to predict turbulent properties applied to the Hasegawa-Wakatani model

Linear eigenmode analysis often fails to describe turbulence in model systems that have non-normal linear operators and thus nonorthogonal eigenmodes, which can cause fluctuations to transiently grow faster than expected from eigenmode analysis. When combined with energetically conservative nonlinear mode mixing, transient growth can lead to sustained turbulence even in the absence of eigenmode instability. Since linear operators ultimately provide the turbulent fluctuations with energy, it is useful to define a growth rate that takes into account non-modal effects, allowing for prediction of energy injection, transport levels, and possibly even turbulent onset in the subcritical regime. We define such a non-modal growth rate using a relatively simple model of the statistical effect that the nonlinearities have on cross-phases and amplitude ratios of the system state variables. In particular, we model the nonlinearities as delta-function-like, periodic forces that randomize the state variables once every eddy turnover time. Furthermore, we estimate the eddy turnover time to be the inverse of the least stable eigenmode frequency or growth rate, which allows for prediction without nonlinear numerical simulation. We test this procedure on the 2D and 3D Hasegawa-Wakatani model [A. Hasegawa and M. Wakatani, Phys. Rev. Lett. 50, 682 (1983)] and find that the non-modal growth rate is a good predictor of energy injection rates, especially in the strongly non-normal, fully developed turbulence regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2011

A Solid-State Nanosecond Beam Kicker Modulator Based on the DSRD Switch

A fast solid-state beam kicker modulator is under development at the SLAC National Accelerator Laboratory. The program goal is to develop a modulator that will deliver 4 ns, {+-}5 kV pulses to the ATF2 damping ring beam extraction kicker. The kicker is a 50 {Omega}, bipolar strip line, 60 cm long, fed at the downstream end and terminated at the upstream end. The bunch spacing in the ring is 5.6 ns, bunches are removed from the back end of the train, and there is a gap of 103.6 ns before the next train. The modulator design is based on an opening switch topology that uses Drift Step Recovery Diodes as the opening switches. The design and results of the modulator development are discussed. There are many applications that benefit from very fast high power switching. However, at MW power levels and nanosecond time scales, solid state options are limited. One option, the Drift Step Recovery Diode (DSRD) has been demonstrated as capable of blocking thousands of volts and switching in nanosecond to sub-nanosecond ranges. When used as an opening switch, the DSRD exhibits a very fast turn off transient. The process is described in detail by its pioneers in [5,6]. In essence, charge is pumped into and then extracted from the DSRD under pulsed conditions. The turn off transient occurs precisely when the pumped charge is equal to the extracted charge and the DSRD is switched off. At the SLAC National Accelerator Laboratory, a DSRD is being used as an opening switch in the development of a fast kicker modulator. The modulator is designed to create {+-}5kV pulses with <1ns rise and fall time on a 50{Omega} strip line kicker. As is common in beam optics, the absence of power in the kicker before and after the pulse is very important. The entire {+-}5kV kicker modulator is composed of two identical 5kV pulsing circuits, each with its own DSRD component. This paper describes the modulator topology and the status of tests on one of the two 5kV pulse circuits.

43 PARTICLE ACCELERATORS↗

DOE OSTI2012

Role of IVC Filters in Endovenous Therapy for Deep Venous Thrombosis: The FILTER-PEVI (Filter Implantation to Lower Thromboembolic Risk in Percutaneous Endovenous Intervention) Trial

Objectives: The purpose of this study was to evaluate the necessity of and recommend indications for inferior vena cava (IVC) filter implantation during percutaneous endovenous intervention (PEVI) for deep venous thrombosis (DVT).BackgroundPEVI has emerged as a powerful tool in the management of acute proximal DVT. Instrumentation of extensive fresh thrombus is potentially associated with iatrogenic pulmonary embolism (PE). The true frequency of this complication has not been studied in a randomized fashion. We evaluated IVC filter implantation during PEVI for DVT. Methods: A total of 141 patients with symptomatic proximal DVT undergoing PEVI for symptomatic DVT were randomized to receive an IVC filter (70 patients) or no filter (71 patients; control group). The anticoagulation and PEVI regimen were similar between the two groups. Patients with development of symptoms suggestive of PE underwent objective testing for PE. Results: PE developed in 1 of the 14 symptomatic patients in the filter group and 8 of the 22 patients in the control group (P = 0.048). There was no mortality in any group. Three patients (4.2%) in the control group had transient hemodynamic instability necessitating resuscitory efforts. Predictors of iatrogenic PE were found to be PE at admission; involvement of two or more adjacent venous segments with acute thrombus; inflammatory form of DVT (severe erythema, edema, pain, and induration); and vein diameter of {>=}7 mm with preserved architecture. Conclusions: IVC filter implantation during PEVI reduces the risk of iatrogenic PE by eightfold without a mortality benefit. A selective approach may be exercised in filter implantation during PEVI.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2023

Operational resilience metrics for power systems with penetration of renewable resources

Abstract Modern power grid is evolving towards carbon neutrality by deploying increasing amount of renewable energy resources. However, the impact of renewable generation on power system planning and operation is not sufficiently investigated, especially the capability of renewable penetrated power systems to resist and recover from major disturbances, which is a critical concern for system operators. Novel metrics and evaluation methodologies are needed to depict systems’ ability in response to events caused by natural disasters, and quantitatively evaluate system performance in various time scales. In this paper, operational resilience metrics are proposed for power systems with penetration of renewable energy resources based on transient stability principles. A systematic methodology is proposed to quantitatively assess the evolution of system performance during various stages of the disaster process. Based on the proposed metrics, a resilience‐oriented disaster management strategy is designed and validated using the modified IEEE 39‐bus test system. The simulation results demonstrate the validity of the proposed metrics and strategy, and show that the system resilience is enhanced during the mitigation of fault conditions.

Gui, Jianzhong↗

DOE OSTI2013

Reaction cell for in situ soft x-ray absorption spectroscopy and resonant inelastic x-ray scattering measurements of heterogeneous catalysis up to 1 atm and 250 °C

We present a novel in situ reaction cell for heterogeneous catalysis monitored in situ by x-ray absorption spectroscopy (XAS) and resonant inelastic x-ray scattering (RIXS). The reaction can be carried out at a total pressure up to 1 atm, a regime that has not been accessible to comparable in situ techniques and thus closes the pressure gap to many industrial standard conditions. Two alternate catalyst geometries were tested: (A) a thin film evaporated directly onto an x-ray transparent membrane with a flowing reaction gas mixture behind it or (B) a powder placed behind both the membrane and a gap of flowing reaction gas mixture. To illustrate the working principle and feasibility of our reaction cell setup we have chosen ethylene epoxidation over a silver catalyst as a test case. The evolution of incorporated oxygen species was monitored by total electron/fluorescence yield O K-XAS as well as O K-RIXS, which is a powerful method to separate contributions from inequivalent sites. We find that our method can reliably detect transient species that exist during catalytic reaction conditions that are hardly accessible using other spectroscopic methods.

36 MATERIALS SCIENCE↗

DOE OSTI2012

ACTIVE LEARNING TO OVERCOME SAMPLE SELECTION BIAS: APPLICATION TO PHOTOMETRIC VARIABLE STAR CLASSIFICATION

Despite the great promise of machine-learning algorithms to classify and predict astrophysical parameters for the vast numbers of astrophysical sources and transients observed in large-scale surveys, the peculiarities of the training data often manifest as strongly biased predictions on the data of interest. Typically, training sets are derived from historical surveys of brighter, more nearby objects than those from more extensive, deeper surveys (testing data). This sample selection bias can cause catastrophic errors in predictions on the testing data because (1) standard assumptions for machine-learned model selection procedures break down and (2) dense regions of testing space might be completely devoid of training data. We explore possible remedies to sample selection bias, including importance weighting, co-training, and active learning (AL). We argue that AL-where the data whose inclusion in the training set would most improve predictions on the testing set are queried for manual follow-up-is an effective approach and is appropriate for many astronomical applications. For a variable star classification problem on a well-studied set of stars from Hipparcos and Optical Gravitational Lensing Experiment, AL is the optimal method in terms of error rate on the testing data, beating the off-the-shelf classifier by 3.4% and the other proposed methods by at least 3.0%. To aid with manual labeling of variable stars, we developed a Web interface which allows for easy light curve visualization and querying of external databases. Finally, we apply AL to classify variable stars in the All Sky Automated Survey, finding dramatic improvement in our agreement with the ASAS Catalog of Variable Stars, from 65.5% to 79.5%, and a significant increase in the classifier's average confidence for the testing set, from 14.6% to 42.9%, after a few AL iterations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Hardware Design of Medium Voltage SiC-Based Modular Multilevel Converters for Grid-Tied Applications

This paper presents a design of a 10 kV silicon carbide (SiC) MOSFET based modular multilevel converter (MMC). The MMC functions as the interconnection between a 24 kV dc bus and a 13. SkV distribution grid. This paper focuses on the hardware design of the MMC and its submodules. The gate driver, auxiliary power supply and bus bur in submodules are major components that need to meet high dv/dt immunity and high insulation voltage requirements. The gate driver achieves over 200 kV/us common mode transient immunity (CMTI). Its associated auxiliary power supply is based on an on-board transformer with over 30 kV insulation capability and 1.4 pF barrier capacitance. The busbar achieves less than 11 kV/cm electric field in the air to avoid partial discharges. Validation tests of the MMC submodule were performed by double pulse tests at 5 kV and buck converter tests at3 kV, 52A (peak). Reliable operations were achieved in validation tests.

auxiliary power supply↗

DOE OSTI2021

Synchronous and Concurrent Multidomain Computing Method for Cloud Computing Platforms

We present a numerical method for synchronous and concurrent solution of transient elastodynamics problem where the computational domain is divided into subdomains that may reside on separate computational platforms. Here, this work employs the variational multiscale discontinuous Galerkin (VMDG) method to develop interdomain transmission conditions for transient problems. The fine-scale modeling concept leads to variationally consistent coupling terms at the common interfaces. The method admits a large class of time discretization schemes, and decoupling of the solution for each subdomain is achieved by selecting any explicit algorithm. Numerical tests with a manufactured solution problem show optimal convergence rates. The energy history in a free vibration problem is in agreement with that of the solution from a monolithic computational domain.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Transient and Steady-State Inverse Problems in Sierra/Aria

Inverse problems arise in a wide range of applications, whenever unknown model parameters cannot be measured directly. Instead, the unknown parameters are estimated using experimental data and forward simulations. Thermal inverse problems, such as material characterization problems, are often large-scale and transient. Therefore, they require intrusive adjoint-based gradient implementations in order to be solved efficiently. The capability to solve large-scale transient thermal inverse problems using an adjoint-based approach was recently implemented in SNL Sierra Mechanics, a massively parallel capable multiphysics code suite. This report outlines the theory, optimization formulation, and path taken to implement thermal inverse capabilities in Sierra within a unit test framework. The capability utilizes Sierra/Aria and Sierra/Fuego data structures, the Rapid Optimization Library, and an interface to the Sierra/InverseOpt library. The existing Sierra/Aria time integrator is leveraged to implement a time-dependent adjoint solver.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Mixed Acid Fermentation of Carbohydrate-Rich Dairy Manure Hydrolysate

Dairy manure (DM) is an abundant agricultural residue that is largely composed of lignocellulosic biomass. The aim of this study was to investigate if carbon derived from DM fibers can be recovered as medium-chain fatty acids (MCFAs), which are mixed culture fermentation products of economic interest. DM fibers were subjected to combinations of physical, enzymatic, chemical, and thermochemical pretreatments to evaluate the possibility of producing carbohydrate-rich hydrolysates suitable for microbial fermentation by mixed cultures. Among the pretreatments tested, decrystalization dilute acid pretreatment (DCDA) produced the highest concentrations of glucose and xylose, and was selected for further experiments. Bioreactors fed DCDA hydrolysate were operated. Acetic acid and butyric acid comprised the majority of end products during operation of the bioreactors. MCFAs were transiently produced at a maximum concentration of 0.17 mg COD MCFAs /mg COD Total . Analyses of the microbial communities in the bioreactors suggest that lactic acid bacteria, Megasphaera , and Caproiciproducens were involved in MCFA and C4 production during DCDA hydrolysate metabolism.

09 BIOMASS FUELS↗

DOE OSTI2019

Identification of Stellar Flares Using Differential Evolution Template Optimization

In this paper, we explore methods for the identification of stellar flare events in irregularly sampled data of ground-based time domain surveys. In particular, we describe a new technique for identifying flaring stars, which we have implemented in a publicly available Python module called "PyVAN." The approach uses the Differential Evolution algorithm to optimize parameters of empirically derived light curve templates for different types of stars to fit a candidate light curve. The difference of the likelihoods that these best-fit templates produced the observed data is then used to delineate targets that are well-explained by a flare template but simultaneously poorly explained by templates of common contaminants. By testing on light curves of known identity and morphology, we show that our technique is capable of recovering flaring status in 69% of all light curves containing a flare event above thresholds drawn to include <1% of any contaminant population. By applying to Palomar Transient Factory data, we show consistency with prior samples of flaring stars, and identify a small selection of candidate flaring G-type stars for possible follow-up.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Identification of the defect dominating high temperature reverse leakage current in vertical GaN power diodes through deep level transient spectroscopy

Deep level defects in wide bandgap semiconductors, whose response times are in the range of power converter switching times, can have a significant effect on converter efficiency. We use Deep Level Transient Spectroscopy (DLTS) to evaluate such defect levels in the n- drift layer of vertical GaN (v-GaN) power diodes with VBD ~ 1500 V. DLTS reveals three energy levels that are at ~0.6 eV (highest density), ~0.27 eV (lowest density) and ~ 45 meV (a dopant level) from the conduction band. Dopant extraction from Capacitance-Voltage measurement test (C-V) at multiple temperatures enables trap density evaluation, and the ~0.6 eV trap has a density of 1.2 × 10 15 cm -3 . Here, the 0.6 eV energy level and its density are similar to a defect that is known to cause current collapse in GaN based surface conducting devices (like HEMTs). Analysis of reverse bias currents over temperature in the v-GaN diodes indicates a predominant role of the same defect in determining reverse leakage current at high temperatures, reducing switching efficiency.

42 ENGINEERING↗

DOE OSTI2023

Results of the Photometric LSST Astronomical Time-series Classification Challenge (PLAsTiCC)

Abstract Next-generation surveys like the Legacy Survey of Space and Time (LSST) on the Vera C. Rubin Observatory (Rubin) will generate orders of magnitude more discoveries of transients and variable stars than previous surveys. To prepare for this data deluge, we developed the Photometric LSST Astronomical Time-series Classification Challenge (PLAsTiCC), a competition that aimed to catalyze the development of robust classifiers under LSST-like conditions of a nonrepresentative training set for a large photometric test set of imbalanced classes. Over 1000 teams participated in PLAsTiCC, which was hosted in the Kaggle data science competition platform between 2018 September 28 and 2018 December 17, ultimately identifying three winners in 2019 February. Participants produced classifiers employing a diverse set of machine-learning techniques including hybrid combinations and ensemble averages of a range of approaches, among them boosted decision trees, neural networks, and multilayer perceptrons. The strong performance of the top three classifiers on Type Ia supernovae and kilonovae represent a major improvement over the current state of the art within astronomy. This paper summarizes the most promising methods and evaluates their results in detail, highlighting future directions both for classifier development and simulation needs for a next-generation PLAsTiCC data set.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Practical Challenges and Failure Modes During Fabrication of Haynes 230 Micro-Pin Solar Receivers for High Temperature Supercritical Carbon Dioxide Operation

Printed circuit heat exchangers (PCHX) fabricated from high nickel alloys have shown promise as primary heat exchangers, recuperators, and solar receivers for high temperature and pressure supercritical carbon dioxide power cycles. There are numerous challenges in fabricating these devices including forming channel features, joining via diffusion or transient liquid phase bonding, and brazing/welding of headers. Commercial entities are understandably hesitant to share propriety best practices, and both commercial and non-commercial entities working on these components tend not to publically share failures and mistakes. However, sharing of this information could prevent similar costly errors and further the understanding of the coupled manufacturing, materials and mechanics issues in creating these components. Thus, in this paper, we document the challenges, failures, and mitigation methods uncovered in fabrication of prototype micro-pin based solar thermal receivers constructed of Haynes 230 and fabricated through a combination of photochemical machining (PCM), wire electrical discharge machining (EDM), transient liquid phase (TLP) bonding, vacuum brazing, and gas tungsten arc welding (GTAW). The receiver is designed to absorb concentrated solar fluxes greater than 140 W cm-2, while heating supercritical carbon dioxide from 550 °C to 720 °C at a pressure of 20 MPa to 25 MPa. The prototype receiver consists of a thin (~ 450 µm), Haynes 230 coversheet bonded to a 15 cm × 15 cm Haynes 230 micro-pin plate. The pieces are joined using a TLP bonding process with a nickel-phosphorus interlayer. Prior to bonding, micro-pins with height ~150 µm and diameter 300 µm are fabricated using PCM in the plate, and through slot features are made using wire EDM. Finally, flow headers are joined to the microchannel plate through a combination of vacuum brazing and GTAW. During hydrostatic proof testing, the prototype device failed when the coversheet delaminated from the pin array at a pressure of 290 bar. A failure analysis including scanning electron microscopy (SEM) to view failure sites and energy-dispersive X-ray spectroscopy (EDS) to evaluate elemental analysis of the failed areas was conducted. The failure modes can be broadly categorized as (1) failures potentially relating to reliquification of the transient liquid phase bonds between the micro-pins plate and coversheet during post-processing, (2) failures related to manufacturing defects, and (3) failures attributed to design.

14 SOLAR ENERGY↗

DOE OSTI2024

Periodicity significance testing with null-signal templates: reassessment of PTF’s SMBH binary candidates

Periodograms are widely employed for identifying periodicity in time series data, yet they often struggle to accurately quantify the statistical significance of detected periodic signals when the data complexity precludes reliable simulations. We develop a data-driven approach to address this challenge by introducing a null-signal template (NST). The NST is created by carefully randomizing the period of each cycle in the periodogram template, rendering it non-periodic. It has the same frequentist properties as a periodic signal template, and we show with simulations that the distribution of false positives is the same as with the original periodic template, regardless of the underlying data. Thus, performing a periodicity search with the NST acts as an effective simulation of the null (no-signal) hypothesis, without having to simulate the noise properties of the data. We apply the NST method to the supermassive black hole binaries (SMBHB) search in the Palomar Transient Factory (PTF), where Charisi et al. had previously proposed 33 high signal-to-noise candidates utilizing simulations to quantify their significance. Our approach reveals that these simulations do not capture the complexity of the real data. There are no statistically significant periodic signal detections above the non-periodic background. To improve the search sensitivity, we introduce a Gaussian quadrature based algorithm for the Bayes Factor with correlated noise as a test statistic. We show with simulations that this improves sensitivity to true signals by more than an order of magnitude. However, the Bayes Factor approach also results in no statistically significant detections in the PTF data.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Geomechanical Model Calibration Using Field Measurements for a Petroleum Reserve

A finite element numerical analysis model has been constructed that consists of a mesh that effectively captures the geometries of Bayou Choctaw (BC) Strategic Petroleum Reserve (SPR) site and multimechanism deformation (M-D) salt constitutive model using the daily data of actual wellhead pressure and oil–brine interface location. The salt creep rate is not uniform in the salt dome, and the creep test data for BC salt are limited. Therefore, the model calibration is necessary to simulate the geomechanical behavior of the salt dome. The cavern volumetric closures of SPR caverns calculated from CAVEMAN are used as the field baseline measurement. The structure factor, A 2 , and transient strain limit factor, K o , in the M-D constitutive model are used for the calibration. The value of A 2 , obtained experimentally from BC salt, and the value of K o , obtained from Waste Isolation Pilot Plant salt, are used for the baseline values. To adjust the magnitude of A 2 and K0, multiplication factors A 2 F and K o F are defined, respectively. The A 2 F and K0F values of the salt dome and salt drawdown skins surrounding each SPR cavern have been determined through a number of back analyses. The cavern volumetric closures calculated from this model correspond to the predictions from CAVEMAN for six SPR caverns. Therefore, this model is able to predict behaviors of the salt dome, caverns, caprock, and interbed layers. In conclusion, the geotechnical concerns associated with the BC site from this analysis will be explained in a follow-up paper.

02 PETROLEUM↗

DOE OSTI2023

Deuteron off-resonance rotating frame relaxation for the characterization of slow motions in rotating and static solid-state proteins

Here, we demonstrate the feasibility of deuterium solid-state NMR off-resonance rotating frame relaxation measurements for studies of slow motions in biomolecular solids. The pulse sequence, which includes adiabatic pulses for magnetization alignment, is illustrated for static and magic-angle spinning conditions away from rotary resonances. We apply the measurements for three systems with selective deuterium labels at methyl groups: a) a model compound, Fluorenylmethyloxycarbonyl methionine-D 3 amino acid, for which the principles of the measurements and corresponding motional modeling based on rotameric interconversions are demonstrated; b) amyloid-β 1-40 fibrils labeled at a single alanine methyl group located in the disordered N-terminal domain. This system has been extensively studied in prior work and here serves as a test of the method for complex biological systems. The essential features of the dynamics consist of large-scale rearrangements of the disordered N-terminal domain and the conformational exchange between the free and bound forms of the domain, the latter one due to transient interactions with the structured core of the fibrils. and c) a 15-residue helical peptide which belongs to the predicted α-helical domain near the N-terminus of apolipoprotein B. The peptide is solvated with triolein and incorporates a selectively labeled leucine methyl groups. The method permits model refinement, indicating rotameric interconversions with a distribution of rate constants.

59 BASIC BIOLOGICAL SCIENCES↗