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At least 811 records · Page 45

MISR Instrument Data Visualization

The MISR Interactive eXplorer (MINX) software functions both as a general-purpose tool to visualize Multiangle Imaging SpectroRadiometer (MISR) instrument data, and as a specialized tool to analyze properties of smoke, dust, and volcanic plumes. It includes high-level options to create map views of MISR orbit locations; scrollable, single-camera RGB (red-greenblue) images of MISR level 1B2 (L1B2) radiance data; and animations of the nine MISR camera images that provide a 3D perspective of the scenes that MISR has acquired. NASA Tech Briefs, September 2008 55 The plume height capability provides an accurate estimate of the injection height of plumes that is needed by air quality and climate modelers. MISR provides global high-quality stereo height information, and this program uses that information to perform detailed height retrievals of aerosol plumes. Users can interactively digitize smoke, dust, or volcanic plumes and automatically retrieve heights and winds, and can also archive MISR albedos and aerosol properties, as well as fire power and brightness temperatures associated with smoke plumes derived from Moderate Resolution Imaging Spectroradiometer (MODIS) data. Some of the specialized options in MINX enable the user to do other tasks. Users can display plots of top-of-atmosphere bidirectional reflectance factors (BRFs) versus camera-angle for selected pixels. Images and animations can be saved to disk in various formats. Also, users can apply a geometric registration correction to warp camera images when the standard processing correction is inadequate. It is possible to difference the images of two MISR orbits that share a path (identical ground track), as well as to construct pseudo-color images by assigning different combinations of MISR channels (angle or spectral band) to the RGB display channels. This software is an interactive application written in IDL and compiled into an IDL Virtual Machine (VM) ".sav" file.

Nelson, David↗

Electromagnetic Simulations of Ground-Penetrating Radar Propagation near Lunar Pits and Lava Tubes

Placing an Orion capsule at the Earth-Moon L2 point (EML2) would potentially enable telerobotic operation of a rover on the lunar surface. The Human Exploration Virtual Institute (HEVI) is proposing that rover operations be carried out near one of the recently discovered lunar pits, which may provide radiation shielding for long duration human stays as well as a cross-disciplinary, science-rich target for nearer-term telerobotic exploration. Ground penetrating radar (GPR) instrumentation included onboard a rover has the potential to reveal many details of underground geologic structures near a pit, as well as characteristics of the pit itself. In the present work we employ the full-wave electromagnetic code MEEP to simulate such GPR reflections from a lunar pit and other subsurface features including lava tubes. These simulations will feed forward to mission concepts requiring knowledge of where to hide from harmful radiation and other environmental hazards such as plama charging and extreme diurnal temperatures.

Lava Tubes↗

An approach for coupled-code multiphysics core simulations from a common input

This study describes an approach for coupled-code multiphysics reactor core simulations that is being developed by the Virtual Environment for Reactor Applications (VERA) project in the Consortium for Advanced Simulation of Light-Water Reactors (CASL). In this approach a user creates a single problem description, called the “VERAIn” common input file, to define and setup the desired coupled-code reactor core simulation. A preprocessing step accepts the VERAIn file and generates a set of fully consistent input files for the different physics codes being coupled. The problem is then solved using a single-executable coupled-code simulation tool applicable to the problem, which is built using VERA infrastructure software tools and the set of physics codes required for the problem of interest. The approach is demonstrated by performing an eigenvalue and power distribution calculation of a typical three-dimensional 17 × 17 assembly with thermal–hydraulic and fuel temperature feedback. All neutronics aspects of the problem (cross-section calculation, neutron transport, power release) are solved using the Insilico code suite and are fully coupled to a thermal–hydraulic analysis calculated by the Cobra-TF (CTF) code. The single-executable coupled-code (Insilico-CTF) simulation tool is created using several VERA tools, including LIME (Lightweight Integrating Multiphysics Environment for coupling codes), DTK (Data Transfer Kit), Trilinos, and TriBITS. Parallel calculations are performed on the Titan supercomputer at Oak Ridge National Laboratory using 1156 cores, and a synopsis of the solution results and code performance is presented. Finally, ongoing development of this approach is also briefly described.

97 MATHEMATICS AND COMPUTING↗

SMART conductor on round core (CORC ® ) wire via integrated optical fibers

Superconducting cables based on high temperature superconductors (HTS) are necessary for applications requiring large currents and low inductance, such as compact fusion reactors. In this paper, we report the proof-of-concept of a SMART Conductor on Round Core (CORC ® ) wire realized via integration of optical fibers into the copper core. A SMART CORC ® wire with integrated optical fibers was manufactured and its capabilities have been experimentally demonstrated. Results show that by interrogating the optical fibers via Rayleigh backscattering, a Spectral Shift signal as a function of time and position along the cable can be used to detect and locate hot-spots that are developed within the wire or its terminations. It has been found that highly localized current injection into the terminations could initiate hot-spots within the cable at locations where current redistribution between tapes occur. This effect is virtually eliminated when adequate current connections are used that inject current evenly along the cable terminations. Normal zone propagation velocities have been calculated as a function of time using Spectral Shift data for a heater-induced quench as well as a quench induced by overcurrent. In both cases the normal zone propagation velocity was about 6 cm s -1 , but in the heater-induced experiment it was preceded by 500 ms of slower propagation at 2.5 cm s -1 .

Physics↗

Assessing pellet-clad interaction with VERA: WBN1, cycles 6-7

The Consortium for Advanced Simulation of Light Water Reactors (CASL) aims to provide high fidelity simulations of nuclear reactors through the development of the Virtual Environment for Reactor Applications (VERA). One of the primary goals of CASL is to estimate local cladding failure through pellet-clad interaction (PCI). While this capability is being pursued through several different approaches, the procedure presented here focuses on running independent fuel performance calculations with the BISON fuel performance code being developed by Idaho National Laboratory using the multicycle output data from coupled neutron transport/thermal-hydraulics simulations generated by MPACT, CTF, and MAMBA. This type of approach is consistent with traditional fuel performance analysis methods, where the fuel performance analyses are typically separate from core simulation analyses. Recent work simulating 12 cycles of Watts Bar Unit 1 (WBN1) with VERA are capitalized upon, and stand-alone quarter-core BISON results can be obtained for several cycles, assessing parameters of interest to PCI (e.g., maximum centerline fuel temperature, maximum clad hoop stress, minimum gap thickness, and cumulative damage index). This is accomplished by using the coupled neutronics/thermal-hydraulics output power and temperature distributions as inputs for each BISON fuel rod case. Building on previous work which demonstrated this capability for Cycles 1 through 3, this paper presents the results for Cycles 6 and 7. Cycle 7 is of particular interest because significant CRUD-induced power shift was observed. While the current results do not immediately indicate that any rods are at an extreme risk of failure, further analysis on rods highlighted by this work may shed additional light on the likelihood of failure. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Role of Ocean and Atmosphere Variability in Scale-Dependent Thermodynamic Air-Sea Interactions

This study investigates the influence of oceanic and atmospheric processes in extratropical thermodynamic air-sea interactions resolved by satellite observations (OBS) and by two climate model simulations run with eddy-resolving high-resolution (HR) and eddy-parameterized low-resolution (LR) ocean components. Here, in this work, spectral methods are used to characterize the sea surface temperature (SST) and turbulent heat flux (THF) variability and co-variability over scales between 50 and 10,000 km and 60 days to 80 years in the Pacific Ocean. The relative roles of the ocean and atmosphere are interpreted using a stochastic upper-ocean temperature evolution model forced by noise terms representing intrinsic variability in each medium, defined using climate model data to produce realistic rather than white spectral power density distributions. The analysis of all datasets shows that the atmosphere dominates the SST and THF variability over zonal wavelengths larger than ~2,000–2,500 km. In HR and OBS, ocean processes dominate the variability of both quantities at scales smaller than the atmospheric first internal Rossby radius of deformation (R 1 , ~600–2,000 km) due to a substantial ocean forcing coinciding with a weaker atmospheric modulation of THF (and consequently of SST) than at larger scales. The ocean forcing also induces oscillations in SST and THF with periods ranging from intraseasonal to multidecadal, reflecting a red spectrum response to ocean forcing similar to that driven by atmospheric forcing. Such features are virtually absent in LR due to a weaker ocean forcing relative to HR.

54 ENVIRONMENTAL SCIENCES↗

Final scientific report for DOE award title: Improving the Representation of Ice Sedimentation Rates in Global Climate Models

It is well known that cirrus clouds play a major role in regulating the earth’s climate, but the details of how this works are just beginning to be understood. This project targeted the main property of cirrus clouds that influence climate processes; the ice fall speed. That is, this project improves the representation of the mass-weighted ice particle fall velocity, V m , in climate models, used to predict future climate on global and regional scales. Prior to 2007, the dominant sizes of ice particles in cirrus clouds were poorly understood, making it virtually impossible to predict how cirrus clouds interact with sunlight and thermal radiation. Due to several studies investigating the performance of optical probes used to measure the ice particle size distribution (PSD), as well as the remote sensing results from our last ARM project, it is now well established that the anomalously high concentrations of small ice crystals often reported prior to 2007 were measurement artifacts. Advances in the design and data processing of optical probes have greatly reduced these ice artifacts that resulted from the shattering of ice particles on the probe tips and/or inlet tube, and PSD measurements from one of these improved probes (the 2-dimensional Stereo or 2D-S probe) are utilized in this project to parameterize V m for climate models. Our original plan in the proposal was to parameterize the ice PSD (in terms of temperature and ice water content) and ice particle mass and projected area (in terms of mass- and area-dimensional power laws or m-D/A-D expressions) since these are the microphysical properties that determine V m , and then proceed to calculate V m from these parameterized properties. But the 2D-S probe directly measures ice particle projected area and indirectly estimates ice particle mass for each size bin. It soon became apparent that the original plan would introduce more uncertainty in the V m calculations than simply using the 2D-S measurements to directly calculate V m . By calculating V m directly from the measured PSD, ice particle projected area and estimated mass, more accurate estimates of V m are obtained. These V m values were then parameterized for climate models by relating them to (1) sampling temperature and ice water content (IWC) and (2) the effective diameter (D e ) of the ice PSD. Parameterization (1) is appropriate for climate models having single-moment microphysical schemes whereas (2) is appropriate for double-moment microphysical schemes and yields more accurate V m estimates. These parameterizations were developed for tropical cirrus clouds, Arctic cirrus, mid-latitude synoptic cirrus and mid-latitude anvil cirrus clouds based on field campaigns in these regions. An important but unexpected result of this research was the discovery of microphysical evidence indicating the mechanisms by which ice crystals are produced in cirrus clouds. This evidence, derived from PSD measurements, indicates that homogeneous freezing ice nucleation dominates in mid-latitude synoptic cirrus clouds, whereas heterogeneous ice nucleation processes dominate in mid-latitude anvil cirrus. Based on these findings, D e was parameterized in terms of temperature (T) for conditions dominated by (1) homo- and (2) heterogeneous ice nucleation. From this, an experiment was designed for global climate models (GCMs). The net radiative forcing from cirrus clouds may be affected by the means ice is produced (homo- or heterogeneously), and this net forcing contributes to climate sensitivity (i.e. the change in mean global surface temperature resulting from a doubling of CO 2 ). The objective of this GCM experiment was to determine how a change in ice nucleation mode affects the predicted global radiation balance. In the first simulation (Run 1), the D e -T relationship for homogeneous nucleation is used at all latitudes, while in the second simulation (Run 2), the D e -T relationship for heterogeneous nucleation is used at all latitudes. For both runs, V m is calculated from D e . Two GCMs were used; the Community Atmosphere Model version 5 (CAM5) and a European GCM known as ECHAM5 (thanks to our European colleagues who collaborated with us). Similar results were obtained from both GCMs in the Northern Hemisphere mid-latitudes, with a net cooling of ~ 1.0 W m -2 due to heterogeneous nucleation, relative to Run 1. The mean global net cooling was 2.4 W m -2 for the ECHAM5 GCM while CAM5 produced a mean global net cooling of about 0.8 W m -2 . This dependence of the radiation balance on nucleation mode is substantial when one considers the direct radiative forcing from a CO 2 doubling is 4 W m -2 . The differences between GCMs in mean global net cooling estimates may demonstrate a need for improving the representation of cirrus clouds in GCMs, including the coupling between microphysical and radiative properties. Unfortunately, after completing this GCM experiment, we learned from the company that provided the 2D-S microphysical data that the data was corrupted due to a computer program coding problem. Therefore the microphysical data had to be reprocessed and reanalyzed, and the GCM experiments were redone under our current ASR project but using an improved experimental design.

54 ENVIRONMENTAL SCIENCES↗

Simulation of Watts Bar Unit 1 Initial Startup Tests with Continuous Energy Monte Carlo Methods

The Consortium for Advanced Simulation of Light Water Reactors* is developing a collection of methods and software products known as VERA, the Virtual Environment for Reactor Applications. One component of the testing and validation plan for VERA is comparison of neutronics results to a set of continuous energy Monte Carlo solutions for a range of pressurized water reactor geometries using the SCALE component KENO-VI developed by Oak Ridge National Laboratory. Recent improvements in data, methods, and parallelism have enabled KENO, previously utilized predominately as a criticality safety code, to demonstrate excellent capability and performance for reactor physics applications. The highly detailed and rigorous KENO solutions provide a reliable nu-meric reference for VERAneutronics and also demonstrate the most accurate predictions achievable by modeling and simulations tools for comparison to operating plant data. This paper demonstrates the performance of KENO-VI for the Watts Bar Unit 1 Cycle 1 zero power physics tests, including reactor criticality, control rod worths, and isothermal temperature coefficients.

CASL↗

Optimization Using Metamodeling in the Context of Integrated Computational Materials Engineering (ICME)

Predictive Design Technologies, LLC (PDT) proposed to employ Integrated Computational Materials Engineering (ICME) tools to help the manufacturing industry in the United States regain the competitive advantage in the global economy. ICME uses computational materials science tools within a holistic system in order to accelerate materials development, improve design optimization, and unify design and manufacturing. With the advent of accurate modeling and simulation along with significant increases in high performance computing (HPC) power, virtual design and manufacturing using ICME tools provide the means to reduce product development time and cost by alleviating costly trial-and-error physical design iterations while improving overall quality and manufacturing efficiency. To reduce the computational cost necessary for the large-scale HPC simulations and to make the methodology accessible for small and medium-sized manufacturers (SMMs), metamodels are employed. Metamodels are approximate models (functional relationships between input and output variables) that can reduce the simulation times by one to two orders of magnitude. In Phase I, PDT, partnered with Mississippi State University (MSU), demonstrated the feasibility of the proposed methodology by employing MSU?s internal state variable (ISV) plasticity-damage model with the help of metamodels to optimize the microstructure-process-property-cost for tube manufacturing processes used by Plymouth Tube Company (PTC), which involves complicated temperature and mechanical loading histories. PDT quantified the microstructure-property relationships for PTC?s SAE J525 electric resistance-welded cold drawn low carbon hydraulic 1010 steel tube manufacturing processes at seven different material states and calibrated the ISV plasticity material parameters to fit experimental tensile stress-strain curves. PDT successfully performed large scale finite element (FE) simulations in an HPC environment using the ISV plasticity model in Abaqus FE analyses of the tube forming, sizing, drawing, welding, and normalizing processes. The simulation results coupled with the manufacturing cost data were used to develop prototype metamodeling (quick response) codes which could be used to predict and optimize the microstructure-process-property-cost relationships. The developed ICME metamodeling toolkits are flexible enough to be applied to other manufacturing processes (e.g. forging, forming, casting, extrusion, rolling, stamping, and welding/joining) and metamodeling codes can run on laptop computers. Based on the work completed in Phase I, in Phase II, PDT proposes to continue to refine the ISV model by correlating and incorporating the uncertainties in the microstructure, mechanical testing, and modeling. Following the model refinement, FE analyses will be simulated and will provide even more realistic predictions as they include an appropriate window of uncertainty. Using the HPC output (FE analyses) as input, the quick-response metamodel codes will more accurately predict and optimize the microstructure-process-property-cost relationships. Furthermore, PDT propose to employ the ICME metamodeling toolkits to help develop a new tube product using entirely new high strength steel. The modeling of the high strength steel manufacturing process will replace the costly and time consuming trial-and-error methods that were used in the tubing industry previously. This simulation-based process prototyping will greatly benefit our industrial partners by opening up new market spaces due to new products with greater capabilities.

36 MATERIALS SCIENCE↗

VERA-Grizzly Ex-Core Calculations: Watts Bar Unit 1 Cycles 1-2

The critical structures that comprise light-water reactor (LWR) nuclear power plants are subjected to operating environments that can challenge their integrity. Structures in close proximity to the reactor core, such as the reactor pressure vessel (RPV) and the biological shield wall, are subjected to high levels of radiation emanating from the core, as well as elevated temperatures. As the US fleet of operating LWRs ages, the effects of these operating environments on the integrity of these structures must be considered to ensure their continued safe operation. Extending the lifetime of commercial reactors and maintaining the aging reactor fleet require accurate prediction of the exposure of ex-core components to neutron and photon radiation. In particular, concrete degradation studies must be performed to evaluate the safety and long-term operation of reactors with lifetime extensions. The concrete reactor bioshield is important for providing radiological protection during operation and must last for the entire lifetime of the reactor. Recent interest in lifetime extensions furthers the need to accurately simulate concrete material degradation in the reactor bioshield. As a result of this need, the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has funded this study to couple its tools, Virtual Environment for Reactor Applications (VERA) and Grizzly. VERA allows users to set up models to calculate time-dependent and fully coupled solutions (with thermal feedback) for ex-core quantities of interest such as vessel and coupon fluence and detector responses for multiple statepoints and cycles. Grizzly is a finite-element application based on the Multiphysics Object Oriented Simulation Environment (MOOSE) framework that is used to enable aging materials calculations. This report highlights the work performed to calculate the fluence in the vessel and concrete for Watts Bar Nuclear Plant Unit 1 (WBN1) Cycles 1 and 2. The fluences obtained from VERA were successfully transferred to Grizzly using a Python script. Four simulations were run with Grizzly: (1) the Mazars model with the initial Young’s modulus being the instantaneous modulus, (2) the Mazars model with the initial Young’s modulus being the delayed modulus, (3) the Mazars model with the initial Young’s modulus being the delayed modulus with the addition of the effects of micro-damage caused by irradiation, and (4) the Mazars model with the initial Young’s modulus being the instantaneous modulus, and with the addition of micro-damage and creep. Details regarding the methods used to obtain the fluence and the statistical errors associated with the VERA Monte Carlo Shift calculations are discussed in greater detail in this report. The results obtained from the four Grizzly models are also presented in this report.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

An Ultraviolet Excess in the Superluminous Supernova Gaia16apd Reveals a Powerful Central Engine

Since the discovery of superluminous supernovae (SLSNe) in the last decade, it has been known that these events exhibit bluer spectral energy distributions than other supernova subtypes, with significant output in the ultraviolet. However, the event Gaia16apd seems to outshine even the other SLSNe at rest-frame wavelengths below ∼3000 Å. Yan et al. have recently presented HST UV spectra and attributed the UV flux to low iron-group abundance in the outer ejecta, and hence reduced line blanketing. Here, we present UV and optical light curves over a longer baseline in time, revealing a rapid decline at UV wavelengths despite a typical optical evolution. Combining the published UV spectra with our own optical data, we demonstrate that Gaia16apd has a much hotter continuum than virtually any SLSN at maximum light, but it cools rapidly thereafter and is indistinguishable from the others by ∼10–15 days after peak. Comparing the equivalent widths of UV absorption lines with those of other events, we show that the excess UV continuum is a result of a more powerful central power source, rather than a lack of UV absorption relative to other SLSNe or an additional component from interaction with the surrounding medium. These findings strongly support the central-engine hypothesis for hydrogen-poor SLSNe. An explosion ejecting M {sub ej} = 4.8(0.2/ κ ) M {sub ⊙}, where κ is the opacity in cm{sup 2} g{sup −1}, and forming a magnetar with spin period P = 2 ms, and B = 2 × 10{sup 14} G (lower than other SLSNe with comparable rise times) can consistently explain the light curve evolution and high temperature at peak. The host metallicity, Z = 0.18 Z {sub ⊙}, is comparable to other SLSNe.

79 ASTRONOMY AND ASTROPHYSICS↗

Watts Bar Unit 1 Cycle Zero Power Physics Tests Analysis with VERA-CS

The Consortium for Advanced Simulation of Light Water Reactors (CASL) is developing a collection of methods and software products known as VERA, the Virtual Environment for Reactor Applications, including a core simulation capability called VERA-CS. A key milestone for this endeavor is to validate VERA against measurements from operating nuclear power reactors. The first step in validation against plant data is to determine the ability of VERA to accurately simulate the initial startup physics tests for Watts Bar Nuclear Power Station, Unit 1 (WBN1) cycle 1. VERA-CS calculations were performed with the Insilico code developed at ORNL using cross section processing from the SCALE system and the transport capabilities within the Denovo transport code using the SPN method. The calculations were performed with ENDF/B-VII.0 cross sections in 252 groups (collapsed to 23 groups for the 3D transport solution). The key results of the comparison of calculations with measurements include initial criticality, control rod worth critical configurations, control rod worth, differential boron worth, and isothermal temperature reactivity coefficient (ITC). The VERA results for these parameters show good agreement with measurements, with the exception of the ITC, which requires additional investigation. Results are also compared to those obtained with Monte Carlo methods and a current industry core simulator.

CASL↗

Oil Biodegradation in Deep Marine Basins

Nine important hydrocarbon (oil) basins where offshore petroleum leases have been licensed are compared. These nine basins (Gulf of Mexico, Eastern Mediterranean’s Nile Deep-Sea Fan, Central Mediterranean and the Sirte Basin, North Sea, Caspian Sea, Angola, Trinidad and Tobago, Great Australian Bight, and Brazil’s Amazonian Deep-Sea Basin) are geographically separated and are impacted by very different water masses. The geochemical parameters of these basins are quite distinct, for example, salinities ranging from 39 psu in the Eastern Mediterranean to 12 psu in the Caspian. Additionally, parameters like temperatures of the bottom water are also very distinct, with the temperature in the deep water of the Eastern Mediterranean being between 12 °C and 14 °C and the temperature of the deep water in the North Sea being -2 °C. Each basin represents a unique ecosystem in which distinct microbes may thrive. These distinct environmental parameters may act to constrain the extent of hydrocarbon degradation in these basins. Another potential constraint on hydrocarbon degradation is the extent of natural hydrocarbon seeps in the area. Though many basins have similar if not 16S rRNA identical strains of oil-degrading bacteria, Colwellia psychrerythraea from different basins showed that a mixture of natural selection and neutral evolution has contributed to the divergence of these. Most if not all deep ocean basin microbial communities are dominated by Thaumarchaeota below 200 m. These microaerophilic, ammonium oxidizer, psychrophiles are very adapted to an oligotrophic lifestyle, and though many in this group will degrade oil, they are rapidly outcompeted by other bacteria in oil or high hydrocarbon intrusions, thus the virtual “canary in the coal mine.” Cometabolic biodegradation of oil is well documented but could be an important natural attenuation mechanism for oil in deep marine basins with episodic methane seeps. Microbial community structure can also predict concentrations of oil in deep basins. Many other synergistic effects require more research in environmental systems biology in deep marine basins.

Hazen, Terry C.↗

Non-linear MHD modelling of transients in tokamaks: a review of recent advances with the JOREK code

Transient magneto-hydrodynamic (MHD) events like edge localized modes (ELMs) or disruptions are a concern for magnetic confinement fusion power plants. Research with the MHD code JOREK towards understanding control of such instabilities is reviewed here in a concise way to provide a complete overview, while we refer to the original publications for details. Experimental validation for unmitigated vertical displacement events progressed. The mechanism of vertical force mitigation by impurity injection was identified. Two-way eddy current coupling to CARIDDI was completed. Shattered pellet injection was simulated in JET, KSTAR, ASDEX Upgrade (AUG) and ITER. Benign runaway electron beam termination in JET and ITER was studied. Coupling of kinetic REs to the MHD is ongoing and a virtual RE synchrotron radiation diagnostic was developed. Regarding pedestal physics, regimes devoid of large ELMs in AUG were simulated and predictive JT60-SA simulations are ongoing. For ELM suppression by resonant magnetic perturbations (RMPs), AUG, ITER and EAST simulations were performed. A free boundary RMP model was validated against experiments. Evidence for penetrated magnetic islands at the pedestal top based on AUG experiments and simulations was found. Simulations of the naturally ELM-free quiescent H-mode in AUG and HL-3 show external kink mode formation prevents pedestal build-up towards an ELM within windows of the edge safety factor. With kinetic neutral particles, high field side high density formation in ITER was simulated and with kinetic impurities, tungsten transport in AUG RMP plasmas was studied. To capture turbulent transport, electro-static full-f particle in cell models for ion temperature gradient and trapped electron modes were established and benchmarked. Application to RMP plasmas shows enhanced turbulence in comparison to unperturbed states. Energetic particle interactions with MHD were studied. Flux pumping that prevents the safety factor on axis from dropping below unity was simulated. First non-linear stellarator applications include current relaxation in $l$ = 2 stellarators, while verification for advanced stellarators progresses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Computer Code for Nanostructure Simulation

Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.

Filikhin, Igor↗

Tailoring Growth Interfaces of Virtual Substrates for Power Electronics

Power electronics materials are poised to play a critical role in fulfilling next generation energy needs, with up to 90% of future energy demand predicted to flow through power electronics at some point. AlxGa1-xN ranks high among candidate materials, having bipolar dopability, thermal and chemical stability and an ultra-wide bandgap. However, AlGaN growth is limited by a lack of lattice-matched substrates, ultimately stunting material quality at higher thicknesses needed for power electronics applications. Further, high power applications increasingly call for fully vertical device structures, necessitating a conductive substrate. Recently our group identified the (111) plane of TaC as a conductive surface lattice-matched to Al0.55Ga0.45N, taking inspiration from prior work of AlN and GaN binaries on carbide and boride substrates. In this talk we demonstrate the growth of (111)-oriented TaC by RF sputtering. We investigate the interface of TaC with sapphire and SiC substrates and identify means to suppress competing Ta2C nucleation in order to stabilize (111)-oriented TaC. Potential stacking sequences are identified with respect to crystal structure and observed twinning in the TaC films. We next assess structural changes and film recrystallization that results from face-to-face annealing of TaC thin films at high temperatures above 1500 degrees C. Changes to grain structure and domain size are assessed by x-ray diffraction and surface morphology is explored using atomic force microscopy. Figure 1 shows significant improvements to in- and out-of-plane strain following annealing along with the formation of terraced step edges at the film surface. Strain as a function of material composition and thickness is considered, as this may play a major role in future nucleation of AlGaN layers. (1) R. J. in a face-to-face configuration, as illustrated in the schematic at left. Kaplar et al 2017, ECS J. Solid State Sci. Technol. 6 Q3061; (2) D. M. Roberts et al 2022, https://arxiv.org/abs/2208.11769; (3) T. Aizawa et al 2008, J Crys Growth 310, 1 22; (4) R. Liu et al 2002, Appl. Phys. Lett. 81, 3182-3184.

ENGINEERING↗

3x3 array module of 8×8×32 mm 3 position-sensitive virtual frisch-grid CdZnTe detectors for imaging and spectroscopy of cosmic gamma-rays

Here, we evaluated the performance of the 3x3 array of 32-mm long position-sensitive virtual Frisch-grid (VFG) CdZnTe (CZT) detectors read out by the IDEAS GDS-100 data acquisition system. The array is a mechanically solid module designed for integration into a large effective area gamma-ray telescope proposed for imaging and spectroscopy of cosmic gamma-rays. The array employs the bar-shaped 8x8x32 mm 3 CZT crystals which recently became available from Redlen Technologies, Inc. and Kromek-eV Group PLC at affordable costs. The waveform sampling IDE3421 application-specific integrated circuit (ASIC), developed by the University of Michigan and IDEAS for CZT pixel detectors, was adapted to capture the signals from the array's VFG detectors. We showed good spectral performance of the Redlen detectors with an energy resolution of <1% FWHM at 662 keV and slightly poorer performance of the Kromek-eV detectors with a resolution of <2% measured at a reduced temperature of 13 °C. By testing the same detectors as single devices using hybrid charge-sensitive preamplifiers, we demonstrated improved energy resolutions at a normal temperature of ~25°C: <1% and 1.3-1.7%, respectively. However, the Kromek-eV detectors did not perform as well as the Redlen ones. We explained this by the space charge formation (polarization) decreasing the electric field and the electron drift times. The polarization was likely caused by the high injections of holes from the anode contacts. The absence of polarization in Redlen detectors suggested that the quality of the contacts might have played a role in this case.

47 OTHER INSTRUMENTATION↗

Influence of radiation absorption by microparticles on the flame velocity and combustion regimes

Thermal radiation from hot combustion products has virtually no effect on the flame propagation in a gas medium. We consider a different situation when even a small concentration of microparticles suspended in a gas absorbs the thermal radiation and heats the gas mixture ahead of the combustion wave front by transferring it to the gas. The mixture heating ahead of the flame front can lead either to a moderate increase in the combustion wave velocity for a fast flame or to its significant increase for a slow flame, depending on the gas mixture reactivity and the normal laminar flame velocity. For a slow flame, the heat transfer by radiation from the combustion products can become the dominant mechanism compared to the ordinary molecular thermal conduction that determines the combustion wave structure and velocity. The radiative heating for a spatially nonuniform distribution of particles ahead of the flame front is shown to give rise to a temperature gradient that, in turn, can lead to the ignition of different combustion regimes, depending on the radiation absorption length. In accordance with the Zeldovich gradient mechanism, both deflagration and detonation regimes can be formed in this case. A hydrogen–oxygen flame is used as an example to illustrate the ignition of different combustion wave propagation regimes, depending on the radiation absorption length.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗