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Zinc Alloys for the Fabrication of Semiconductor Devices

ZnBeO and ZnCdSeO alloys have been disclosed as materials for the improvement in performance, function, and capability of semiconductor devices. The alloys can be used alone or in combination to form active photonic layers that can emit over a range of wavelength values. Materials with both larger and smaller band gaps would allow for the fabrication of semiconductor heterostructures that have increased function in the ultraviolet (UV) region of the spectrum. ZnO is a wide band-gap material possessing good radiation-resistance properties. It is desirable to modify the energy band gap of ZnO to smaller values than that for ZnO and to larger values than that for ZnO for use in semiconductor devices. A material with band gap energy larger than that of ZnO would allow for the emission at shorter wavelengths for LED (light emitting diode) and LD (laser diode) devices, while a material with band gap energy smaller than that of ZnO would allow for emission at longer wavelengths for LED and LD devices. The amount of Be in the ZnBeO alloy system can be varied to increase the energy bandgap of ZnO to values larger than that of ZnO. The amount of Cd and Se in the ZnCdSeO alloy system can be varied to decrease the energy band gap of ZnO to values smaller than that of ZnO. Each alloy formed can be undoped or can be p-type doped using selected dopant elements, or can be n-type doped using selected dopant elements. The layers and structures formed with both the ZnBeO and ZnCdSeO semiconductor alloys - including undoped, p-type-doped, and n-type-doped types - can be used for fabricating photonic and electronic semiconductor devices for use in photonic and electronic applications. These devices can be used in LEDs, LDs, FETs (field effect transistors), PN junctions, PIN junctions, Schottky barrier diodes, UV detectors and transmitters, and transistors and transparent transistors. They also can be used in applications for lightemitting display, backlighting for displays, UV and visible transmitters and detectors, high-frequency radar, biomedical imaging, chemical compound identification, molecular identification and structure, gas sensors, imaging systems, and for the fundamental studies of atoms, molecules, gases, vapors, and solids.

Ryu, Yungryel↗

Assessment of DSN Communication Coverage for Space Missions to Potentially Hazardous Asteroids

A communication coverage gap exists for Deep Space Network (DSN) antennas. This communication coverage gap is on the southern hemisphere, centered at approximate latitude of -47deg and longitude of -45deg. The area of this communication gap varies depending on the altitude from the Earth s surface. There are no current planetary space missions that fall within the DSN communication gap because planetary bodies in the Solar system lie near the ecliptic plane. However, some asteroids orbits are not confined to the ecliptic plane. In recent years, Potentially Hazardous Asteroids (PHAs) have passed within 100,000 km of the Earth. NASA s future space exploration goals include a manned mission to asteroids. It is important to ensure reliable and redundant communication coverage/capabilities for manned space missions to dangerous asteroids that make a sequence of close Earth encounters. In this paper, we will describe simulations performed to determine whether near-Earth objects (NEO) that have been classified as PHAs fall within the DSN communication coverage gap. In the study, we reviewed literature for a number of PHAs, generated binary ephemeris for selected PHAs using JPL s HORIZONS tool, and created their trajectories using Satellite Took Kit (STK). The results show that some of the PHAs fall within DSN communication coverage gap. This paper presents the simulation results and our analyses

Kegege, Obadiah↗

CO2 Insulation for Thermal Control of the Mars Science Laboratory

The National Aeronautics and Space Administration (NASA) is sending a large (>850 kg) rover as part of the Mars Science Laboratory (MSL) mission to Mars in 2011. The rover's primary power source is a Multi-Mission Radioisotope Thermoelectric Generator (MMRTG) that generates roughly 2000 W of heat, which is converted to approximately 110 W of electrical power for use by the rover electronics, science instruments, and mechanism-actuators. The large rover size and extreme thermal environments (cold and hot) for which the rover is designed for led to a sophisticated thermal control system to keep it within allowable temperature limits. The pre-existing Martian atmosphere of low thermal conductivity CO2 gas (8 Torr) is used to thermally protect the rover and its components from the extremely cold Martian environment (temperatures as low as -130 deg C). Conventional vacuum based insulation like Multi Layer Insulation (MLI) is not effective in a gaseous atmosphere, so engineered gaps between the warm rover internal components and the cold rover external structure were employed to implement this thermal isolation. Large gaps would lead to more thermal isolation, but would also require more of the precious volume available within the rover. Therefore, a balance of the degree of thermal isolation achieved vs. the volume of rover utilized is required to reach an acceptable design. The temperature differences between the controlled components and the rover structure vary from location to location so each gap has to be evaluated on a case-by-case basis to arrive at an optimal thickness. For every configuration and temperature difference, there is a critical thickness below which the heat transfer mechanism is dominated by simple gaseous thermal conduction. For larger gaps, the mechanism is dominated by natural convection. In general, convection leads to a poorer level of thermal isolation as compared to conduction. All these considerations play important roles in the optimization process. A three-step process was utilized to design this insulation. The first step is to come up with a simple, textbook based, closed-form equation assessment of gap thickness vs. resultant thermal isolation achieved. The second step is a more sophisticated numerical assessment using Computational Fluid Dynamics (CFD) software to investigate the effect of complicated geometries and temperature contours along them to arrive at the effective thermal isolation in a CO2 atmosphere. The third step is to test samples of representative geometries in a CO2 filled chamber to measure the thermal isolation achieved. The results of these assessments along with the consistency checks across these methods leads to the formulation of design-guidelines for gap implementation within the rover geometry. Finally, based on the geometric and functional constraints within the real rover system, a detailed design that accommodates all these factors is arrived at. This paper will describe in detail this entire process, the results of these assessments and the final design that was implemented.

CO2↗

Polarimetric Imaging of Large Cavity Structures in the Pre-transitional Protoplanetary Disk around PDS 70: Observations of the Disk

We present high resolution H-band polarized intensity (PI; FWHM = 0."1: 14 AU) and L'-band imaging data (FWHM = 0."11: 15 AU) of the circumstellar disk around the weak-lined T Tauri star PDS 70 in Centaurus at a radial distance of 28 AU (0."2) up to 210 AU (1."5). In both images, a giant inner gap is clearly resolvro for the first time, and the radius of the gap is approx 70 AU. Our data show that the geometric center of the disk shifts by approx 6 AU toward the minor axis. We confirm that the brown dwarf companion candidate to the north of PDS 70 is a background star based on its proper motion. As a result of SED fitting by Monte Carlo radiative transfer modeling, we infer the existence of an optically thick inner disk at a few AU. Combining our observations and modeling, we classify the disk of PDS 70 as a pre-transitional disk. Furthermore, based on the analysis of L'-band imaging data, we put an upper limit mass of companions at approx 30 to approx 50M(sub J) within the gap. Taking account of the presence of the large and sharp gap, we suggest that the gap could be formed by dynamical interactions of sub-stellar companions or multiple unseen giant planets in the gap.

Hashimoto, J.↗

Polarimetric Imaging of Large Cavity Structures in the Pre-transitional Protoplanetary Disk Around PDS 70: Observations of the Disk

We present high resolution H-band polarized intensity (PI; FWHM = 0."1: 14 AU) and L'-band imaging data (FWHM = 0."11: 15 AU) of the circumstellar disk around the weak-lined T Tauri star PDS 70 in Centaurus at a radial distance of 28 AU (0."2) up to 210 AU (1."5). In both images, a giant inner gap is clearly resolved for the first time, and the radius of the gap is approx.70 AU. Our data show that the geometric center of the disk shifts by approx.6 AU toward the minor axis. We confirm that the brown dwarf companion candidate to the north of PDS 70 is a background star based on its proper motion. As a result of SED fitting by Monte Carlo radiative transfer modeling, we infer the existence of an optically thick inner disk at a few AU. Combining our observations and modeling, we classify the disk of PDS 70 as a pre-transitional disk. Furthermore, based on the analysis of L'-band imaging data, we put an upper limit mass of companions at approx.30 to approx.50MJ within the gap. Taking account of the presence of the large and sharp gap, we suggest that the gap could be formed by dynamical interactions of sub-stellar companions or multiple unseen giant planets in the gap. Subject headings: planetary systems - protoplanetary disks - stars: individual (PDS 70) - stars: pre-main sequence - polarization

Hashimoto, J.↗

Polarimetric Imaging of Large Cavity Structures in the Pre-transitional Protoplanetary Disk Around PDS 70: Observations of the Disk

We present high-resolution H-band polarized intensity (FWHM=0".1:14AU) and L'-band imaging data(FWHM= 0".11:15 AU) of the circumstellar disk around the weak-lined T Tauri star PDS 70 in Centaurus at a radial distance of 28 AU (0".2) up to 210 AU (1".5). In both images, a giant inner gap is clearly resolved for the first time, and the radius of the gap is approx.70 AU. Our data show that the geometric center of the disk shifts by approx.6 AU toward the minor axis. We confirm that the brown dwarf companion candidate to the north of PDS 70 is a background star based on its proper motion. As a result of spectral energy distribution fitting by Monte Carlo radiative transfer modeling, we infer the existence of an optically thick inner disk at a few AU. Combining our observations and modeling, we classify the disk of PDS 70 as a pre-transitional disk. Furthermore, based on the analysis of L'-band imaging data, we put an upper limit of approx.30 to approx.50 M(sub J) on the mass of companions within the gap. Taking into account the presence of the large and sharp gap, we suggest that the gap could be formed by dynamical interactions of sub-stellar companions or multiple unseen giant planets in the gap. Key words: planetary systems - polarization - protoplanetary disks - stars: individual (PDS 70) - stars: pre-main sequence.

Hashimoto, J.↗

Identification of Medical Training Methods for Exploration Missions

As the National Aeronautics and Space Administration (NASA) and its international partner agencies anticipate eventual exploration missions of longer duration, there is a need to plan for the medical capabilities necessary to maximize crew health and provide the best likelihood of mission success. Current spaceflights consist of 5- to 6-month excursions to the International Space Station (ISS) in low-Earth orbit (LEO), and a 12-month ISS mission is currently in planning stages. However, missions to a near-Earth asteroid (NEA), a return to the moon, or even a mission to Mars will demand unprecedented medical capabilities, particularly relating to the training of the crew medical officers (CMOs). In its attempts to address the questions about medical preparation for spaceflight beyond LEO, the Exploration Medical Capability (ExMC) element within NASA's Human Research Program (HRP) defines a series of gaps. These gaps are shortcomings in knowledge, training, or technology that require resolution before an exploration mission can be undertaken. The ExMC element maintains current information about measures to close these gaps while developing plans for further investigation and research. Data pertaining to the gaps and their present status are available to the general public on the NASA Human Research Wiki and the NASA Human Research Roadmap Web sites (34, 36). One such gap, Gap 3.01, identifies a lack of knowledge about the optimal training methods for in-flight medical conditions identified on the Exploration Medical Condition List (EMCL), taking into account the crew medical officer s (CMOs) clinical background (33). This broad statement encompasses several related issues with the current methods of training CMOs and the medical ground support staff, specifically flight surgeons and biomedical engineers (BMEs) located in mission control, in addition to questions pertaining to the ways in which training will need to be adapted for the medical contingencies unique to exploration missions. To determine the optimal methods of medical training for an exploration medical crew and their ground support team, the historical context of medical operations, the current CMO training methods, and potential alternative training methods were identified.

Long duration space flight↗

NASA Environmental Control and Life Support Technology Development for Exploration: 2020 to 2021 Overview

This paper provides an overview of NASA supported activities developing Environmental Control and Life Support (ECLSS) technologies in the following capability areas: life support, environmental monitoring, fire safety, and logistics. NASA has been refining technology needs for deep space missions including Gateway, lunar surface, Mars transit, and Mars surface missions. Validating technologies in relevant environments, both in low earth orbit (LEO) and ground tests is critical in understanding technology performance and long duration performance. On-orbit and ground tests inform NASA’s technology decisions to fill exploration gaps. NASA has multiple technology projects across the technology readiness spectrum with potential to fill or partially fill exploration gaps. For each capability area, this paper will describe select capability gaps, NASA technology project maturation over the past year, and how key performance parameters (KPPs) are being used to measure the degree of capability gap closure. KPPs are evolving but they still provide a useful measure in communicating progress and identifying development needs to fill exploration gaps. The intent is to provide a very high-level overview describing the strategic approach to gap closure and provide references to additional technical details, progress, and KPPs.

Life Support↗

Overview of NASA ISRU Plans, Priorites, and Activities

Introduction:The National Aeronautics andSpace Administration (NASA) of the United States ofAmerica (US) has initiated the Artemis Moon to Marsprogram to send astronauts (the first woman andperson of color) back to the lunar surface, create asustainable human lunar exploration program, andlead the first human exploration mission to the Marssurface in the 2030’s [1]. A major objective of thisprogram is to characterize the resources that exist onthe Moon and Mars, and learn how to utilize them forsustained and affordable exploration. Commonlyknown as In Situ Resource Utilization (ISRU), thesearch for, acquisition, and processing of resources inspace has the potential to greatly reduce thedependency on transporting mission consumables andinfrastructure from Earth, thereby reducing missioncosts, risks, and dependency on Earth.ISRU is Enabling: Through the extraction andprocessing of resources into mission commoditiessuch as rocket propellants, life support consumables,and fuel cell reactants, ISRU enhances and evolvesthe cis-lunar, lander, and surface transportationsystems required for human exploration; expandingand enhancing HOW humans can explore and returnfrom the Moon. Through the extraction andprocessing of resources into metals, silicon, and othermanufacturing and construction feedstock, ISRUenhances and allows for the expansion of criticalinfrastructure using in situ manufacturing andconstruction capabilities that influence WHAT humanscan do on the Moon and in cis-lunar space. Becauseof this, ISRU supports and enables commercialinvolvement beyond NASA and governmentalagencies by both lowering the cost of sustainedtransportation to/from/on the Moon as well assupporting the market required for needing thesetransportation systems. Strategic Framework:To achieve this vision,NASA’s Space Technology Mission Directorate(STMD) ensures the coordinated development ofISRU and other critical space and surfaceinfrastructure elements such as propulsion, power,manufacturing, construction, and robotics through theStrategic Technology Architecture Roundtable(STAR) process. Through STAR, an integratedframework and process has been created allowing forcapabilities and technologies to be linked andassessed, gaps to be identified, specifications andmetrics to be established, and provide a means toprioritize and implement technology development andmissions. A critical part of the STAR effort has beenthe establishment of the Strategic Framework thatorganizes all work under four major Thrusts (Go,Land, Live, and Explore) and identifies the drivingOutcomes for each of these Thrusts. From the Thrustsand Outcomes, all work can be categorized and linkedbetween Capability Areas, and Technology Gaps canbe identified and addressed (Figure 1.)Figure 1. Strategic Framework and STAR FrameworkISRU Envisioned Future: To drive thedevelopment of technologies and capabilities, theSTAR process starts with establishing a ‘grand vision’of where each Outcome and Capability is aiming tobe considered complete. For ISRU, the EnvisionedFuture is “Scalable ISRU production/utilizationcapabilities including sustainable commodities on thelunar and Mars Surface”. This involves starting with10’s of metric tons of products, but evolves into 100’sto 1000’s of metric tons of water, oxygen, propellants,construction and manufacturing feedstock, andcommodities for habitat and food production andoperations. For ISRU, the ‘Prospect to Product’philosophy starts with Destination Reconnaissance &Resource Assessment, followed by ResourceAcquisition, Isolation, and Preparation, leading intoResource Processing (which is further subdivided intomission consumables and feedstocks for constructionand manufacturing). The ISRU Envisioned Futurealso considers what resources are available andattempts to address what and when these resourceswill be evaluated and harnessed, as well asconsidering which products/commodities can beobtained for early use and which ones require moretime and/or users of refined products.It Takes an Architecture: ISRU does not existon its own. By definition, it requires customers/users SHORT TITLE HERE: A. B. Author and C. D. Authorto use the products/commodities produced by ISRUsystems. Also, for an ISRU capability to exist, itmust obtain products and services from other systemsand infrastructure. An important aspect of the STARprocess and the ISRU Envisioned Futures Prioritiesstrategy is to identify and link all of these systems andcapabilities to achieve the desired end state (Figure2).Figure 2. ISRU as Part of a Larger ArchitectureISRU Capability Drivers: The guidingprinciples for NASA’s Space TechnologyDevelopment for Artemis are to develop criticaltechnologies and capabilities that enable (i) asustainable Lunar surface presence, (ii) the future goalof sending humans to Mars, and (iii) promotingcritical technologies to enable future science andcommercial missions. It is a major goal of theArtemis campaign to establish some sort of base campat the lunar South Pole by approximately the end ofthe decade. The ISRU Envisioned Futures Prioritiesstrategy is aligned with the Artemis campaign todevelop and demonstrate ISRU capabilities in thistimeframe that could lead to sustained surfaceoperations, infrastructure growth, and commercialoperations in the next decade (Figure 3).Figure 3. ISRU Dual Path to Full Implementation and CommercializationState of the Art and Gaps: To achieve theenvisioned future, an extensive effort was performedto understand the State of the Art (SOA) for ISRUgoing back decades, and to assess the SOA against thenear and long-term goals and objectives of the ISRUStrategic Outcome objectives. While the releasedISRU Envisioned Futures Priorities only includes atop-level definition of both the SOA and Gaps, furtherinformation on these for ISRU can be found in theISRU Gap Assessment Study performed for theInternational Space Exploration Coordination Group(ISECG) [2]. To provide further guidance to industryand academia, a top level assessment was performedand provide that divides critical areas of ISRUcapabilities and technologies into 3 categories:Significant Funding, Partially Covered/MoreRequired, and Limited/No Funded Activities.Envisioned Future Priorities- Next Steps forISRU: While a significant amount of work over abroad range of technology areas has been performedover the last several years for lunar ISRU, to reach theenvisioned future for ISRU, a lot more work isrequired at the technology level leading to bothsystems and technology demonstrations in the nearfuture. To guide investments within NASA, industry,and academia, 5 specific areas of high priority wereidentified. These are:1.Complete development of the Water and Oxygen Mining Paths and close technology gaps, with emphasis on oxygen extraction from Highland regolith and parallel paths for polar water mining.2.Expand development of metal extraction and feedstock for manufacturing and construction, with emphasis on aluminum and initial/easy to obtain/make construction feedstocks leading to more refined metals and other regolith resources. Also, evaluate biologically inspired/derived technologies in bio-mining, bio-plastic, and other feedstock commodities.3.Ensure the resource assessment needed for future ISRU commercial operations is coordinated with both near/long-term science objectives as well as Artemis mission locations of interest.4.Initiate NASA and industry-led system-level analyses, integration, and testing activities for ISRU capabilities. While significant work has been performed at the technology and subsystemlevel, it is now important to understand how these technology investments can be leveraged and utilized in actual systems and applications5.Initiate lunar ISRU technology flight demonstrations leading to initial ‘Pilot Plant’ end-to-end production capability demonstrations, led by industry

ISRU↗

040226_AnnularFuel_FuelPerformance_LRSv2

This slide deck summarizes a comparative fuel performance assessment of four annular fuel concepts for pressurized water reactor applications against a reference 17×17 fuel design. Overall, annular fuel geometry improves several key thermal-mechanical performance metrics, with the large-annulus configuration providing the most favorable balance of benefits. Relative to the reference design, annular fuel reduces peak fuel temperature by lowering thermal resistance through a thinner fuel pellet and smaller heat-conduction path. At the same time, the reduced fuel volume raises local burnup and correspondingly increases fission gas release. Despite this, rod internal pressure at end of life decreases because the annular geometry provides greater internal void volume. Annular designs also tend to delay fuel-cladding gap closure, although this advantage diminishes in thin-gap configurations where the smaller initial gap accelerates closure. Similarly, hoop stress and hoop strain are generally reduced for annular fuel, but both increase as the initial gap becomes smaller, indicating a potential cladding integrity concern for thin-gap designs. Corrosion performance shows no meaningful variation among the concepts considered. Taken together, the results indicate that annular fuel can offer significant performance advantages in a PWR environment, with large-annulus designs emerging as the strongest candidate while thin-gap geometries introduce more challenging mechanical margins.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Theoretical study of intrinsic defects in cubic silicon carbide 3C-SiC

Using the local moment counter charge (LMCC) method to accurately represent the asymptotic electrostatic boundary conditions within density functional theory supercell calculations, we present a comprehensive analysis of the atomic structure and energy levels of point defects in cubic silicon carbide (3C-SiC). Finding that the classical long-range dielectric screening outside the supercell induced by a charged defect is a significant contributor to the total energy. we describe and validate a modified Jost screening model to evaluate this polarization energy. This leads to bulk-converged defect levels in finite size supercells. With the LMCC boundary conditions and a standard Perdew-Burke-Ernzerhof (PBE) exchange correlation functional, the computed defect level spectrum exhibits no band gap problem: the range of defect levels spans ~2.4 eV, an effective defect band gap that agrees with the experimental band gap. Comparing with previous literature, our LMCC-PBE defect results are in consistent agreement with the hybrid-exchange functional results of Oda et al. [J. Chem. Phys. 139, 124707 (2013)] rather than their PBE results. The difference with their PBE results is attributed to their use of a conventional jellium approximation rather than the more rigorous LMCC approach for handling charged supercell boundary conditions. The difference between standard dft and hybrid functional results for defect levels lies not in a band gap problem but rather in solving a boundary condition problem. The LMCC-PBE entirely mitigates the effect of the band gap problem on defect levels. The more computationally economical PBE enables a systematic exploration of 3C-SiC defects, where, most notably, we find that the silicon vacancy undergoes Jahn-Teller-induced distortions from the previously assumed T d symmetry, and that the divacancy, like the silicon vacancy, exhibits a site-shift bistability in p -type conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NRC Multiphysics Analysis Capability Deployment FY2020: Part 3

This report details progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Sup- port for Advanced Non-Light Water Reactors.” The tasks completed for this report are: Task2c: Explicit modeling of pebble transient temperature response. In this simulation, the 400 MWth Pebble-Bed Modular Reactor (PBMR) design, PBMR- 400, experiences a 20-second power ramp from 100% to 150% power. This is followed by a similar reduction in the power back to 100%. Several multiscale pebble coupling approaches are tested with one pebble per mesh element in the active core region. The results show good conservation behavior and the stability of the coupling.; Extended scope part 1: An assessment of the computational efficiency of the Discontinuous Finite Element Method (DFEM) heat transfer solver shows good scalability. The DFEM solver is a factor of 4 more expensive in solution time than the Finite Element Method (FEM) solver for heat transfer problems due to the increased number of degrees of freedom. Nonetheless, the DFEM approach provides the user with the flexibility to model gap heat transfer problems.; Extended scope part 2: The GapHeatTransferInterfaceMaterial was improved to give the user increased flexibility with the modeling of heat transfer through gaps with the DFEM solver. A number of gap parameters can now be coupled both through functions and variables.; Extended scope part 3: Demonstration of how the gap width between hexagonal fuel cells can be calculated during a heat-up transient and used in the GapHeatTransferInterface model. A full-domain DFEM model with gap expansion is coupled to a SubApp that models the thermal expansion of the base plate. The results show the expected physical behavior, although have not been fully bench-marked at this point in time.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NRC Multiphysics Analysis Capability Deployment (FY2020--Part 3)

This report details progress and activities of Idaho National Laboratory (INL) on the NRC project ”Development and Modeling Support for Advanced Non-Light Water Reactors.” The tasks completed for this report are as follows: First, Task 2c: Explicit modeling of pebble transient temperature response. In this simulation, the PBMR-400 reactor experiences a 20 second power ramp from 100% to 150% power. This is followed by a similar reduction in the power back to 100%. Several multiscale pebble coupling approaches are tested with one pebble per mesh element in the active core region. The results show good conservation behavior and the stability of the coupling. Next, Extended scope part 1: An assessment of the computational efficiency of the DFEM heat transfer solver shows good scalability. The DFEM solver is a factor of 4 more expensive in solution time than the FEM solver for heat transfer problems due to the increased number of degrees of freedom. Nonetheless, the DFEM approach provides the user with the flexibility to model gap heat transfer problems. Then Extended scope part 2: the GapHeatTransferInterfaceMaterial was improved to give the user increased flexibility with the modeling of heat transfer through gaps with the DFEM solver. A number of gap parameters can now be coupled both through functions and variables. Finally, Extended scope part 3: demonstration of how the gap width between hexagonal fuel cells can be calculated during a heat up transient and used in the GapHeat- TransferInterface model. A full domain DFEM model with gap expansion is coupled to a SubApp that models the thermal expansion of the base plate. The results show the expected physical behavior, although have not been fully bench- marked at this point in time.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

(abstract) Transmission Electron Microscopy of Al(sub x)Ga(sub 1-x)N/SiC Multilayer Structures Grown on Sapphire Substrates

The potential of wide-band-gap III-V nitrides as ultraviolet sensors and light emitters has prompted an increasing amount of work recently, including the fabrication of the first UV sensors from as-deposited single crystal GaN. We have used high resolution transmission electron microscopy (TEM) to study the microstructure of two novel developments of wide-band-gap III-V nitrides: the growth of ultra-short period GaN/AlN superlattices; and the incorporation of SiC layers into Al(sub x)Ga(sub 1-x)N structures. By varying the relative periods in a GaN/AlN superlattice, the band gap of the composite can be tailored to lie between the elemental values of 365 nm for GaN and 200 nm for AlN. The group IV semiconductor, SiC, has a wide band-gap and has a close lattice match (less than 3 %) to Al(sub x)Ga(sub 1-x)N for growth on the basal plane. Demonstration of epitaxial growth for Al(sub x)Ga(sub 1-x)N/SiC multilayers would introduce a wide band-gap analog to the already existing family of III-V and Si(sub 1-x)Ge(sub x) heteroepitaxial growth systems. Although good quality growth of GaN on SiC substrates has been demonstrated, Al(sub x)Ga(sub 1-x)N/SiC multilayer structures have never been grown and the interfacial structure is unknown.

GaN AlN GaN/AlN↗

An Accurate Method for Correcting Spectral Convolution Errors in Intercalibration of Broadband and Hyperspectral Sensors

The intercalibration between a broadband and a hyperspectral satellite Earth observation system requires the convolution of the hyperspectral data with the spectral response functions (SRFs) of the corresponding broadband channels. There are two potential issues associated with the convolution procedure. First, the finite resolution of a hyperspectral spectrum, that is, the deviation from the highly accurate line-by-line monochromatic radiances, will contribute to convolution errors. The magnitude of the errors depends on the spectral resolution and the SRF shape of the hyperspectral instrument. This type of the convolution error has not been well recognized, and there is a lack of corresponding discussion in most published papers. Although it is small as compared with the instrument accuracy of existing hyperspectral sounders, the error is deemed to be signicant when it is compared with the stringent calibration requirement imposed by future climate missions like the Climate Absolute Radiance and Refractivity Observatory (CLARREO). Second, some broadband channels are insufficiently covered by the hyperspectral data, causing spectral gaps that lead to convolution errors. Although several methods have been developed to fill the spectral gaps and hence compensate for the second type of convolution error, the correction accuracy may still need improvement especially when a large spectral gap needs to be lled. This paper presents a methodology to accurately quantify and compensate for both types of convolution errors. This methodology utilizes the available hyperspectral information to correct the scene-dependent convolution errors due to either the limited spectral resolution or spectral gaps. We use simulations to characterize the intercalibration errors between the Moderate resolution Imaging Spectroradiometer (MODIS) and current operational infrared sounders. We demonstrate that convolution errors can be effectively removed to meet the highly accurate intersatellite calibration requirement proposed by the Climate Absolute Radiance and Refractivity Observatory. Our methodology is also validated using real satellite data for the intercalibration between Aqua MODIS and Aqua Atmospheric Infrared Sounders (AIRS). Our study demonstrates that the accurate characterization and correction for the convolution errors greatly reduces the scene-dependent and spectrally dependent errors, being critical to the consistency check between Infrared Atmospheric Sounding Interferometer (IASI) and AIRS using the double-difference method. The convolution correction also facilitates the evaluation for other intercalibration errors (e.g., the drift of MODIS SRFs). Our derived SRF shift values from MODIS-AIRS (after convolution error corrections) and from MODIS-IASI intercalibration are consistent with each other. We further extend the methodology to study the calibration of a broadband channel which is either completely or largely uncovered bya hyperspectral measurement.The large spectral gap-filling methodology is validated by demonstrating the accurate prediction of the MODIS radiance of band 29 using the Cross-track Infrared Sounder spectra, with the real IASI spectral data being used as the reference.

Correction Method↗

Structure preserving and energy dissipative contact approaches for implicit dynamics

In this work, several structure preserving and energy dissipative contact approaches are proposed and evaluated. The time integration schemes considered are general with regard to the version of constraint type, but here the emphasis was on mortar contact. The proposed mortar contact approach conserves both linear and angular momentum for mortar contact in a novel way. The proposed time integration scheme can conserve energy or provide strict contact dissipation. In addition, the proposed scheme enforces both gap constraints and gap velocity constraints (i.e., persistency). Using a midstep time integrator often causes energy dissipation during initial impact, here this energy can be recovered in a novel way. Enforcing the gap velocity constraint mitigates the contact chatter of the contact pressure and nodes in many problems. Whereas some approaches enforce the persistency condition and gap constraints simultaneously during the solution of the equations of motion (EOM) requiring multipliers for both constraints included in the equation set, here the gap constraint is solved through the equations of motion and the persistency condition is satisfied in the time integration scheme by the velocity update after the equations of motion. It is shown that this approach is strictly dissipative in that a plastic contact condition can be achieved. Analogous to a coefficient of restitution for rigid bodies, any dissipated energy can then be returned upon release if energy conservation is desired. Structure preserving methods are good for long-time dynamics simulations and energy conserving and strictly dissipative methods can overcome stability issues associated with standard time integration algorithms such as the Newmark method.

42 ENGINEERING↗

Investigation of thermal damage in explosive bridgewire detonators via discrete element method simulations

Exploding bridgewire (EBW) detonators are used to rapidly and reliably initiate energetic reactions by exploding a bridgewire via Joule heating. While the mechanisms of EBW detonators have been studied extensively in nominal conditions, comparatively few studies have addressed thermally damaged detonator operability. We present a mesoscale simulation study of thermal damage in a representative EBW detonator, using discrete element method (DEM) simulations that explicitly account for individual particles in the pressed explosive powder. We use a simplified model of melting, where solid spherical particles undergo uniform shrinking, and fluid dynamics are ignored. The subsequent settling of particles results in the formation of a gap between the solid powder and the bridgewire, which we study under different conditions. In particular, particle cohesion has a significant effect on gap formation and settling behavior, where sufficiently high cohesion leads to coalescence of particles into a free-standing pellet. This behavior is qualitatively compared to experimental visualization data, and simulations are shown to capture several key changes in pellet shape. We derive a minimum and maximum limit on gap formation during melting using simple geometric arguments. In the absence of cohesion, results agree with the maximum gap size. With increasing cohesion, the gap size decreases, eventually saturating at the minimum limit. In conclusion, we present results for different combinations of interparticle cohesion and detonator orientations with respect to gravity, demonstrating the complex behavior of these systems and the potential for DEM simulations to capture a range of scenarios.

cohesive powders↗

Transport and optical properties of the chiral semiconductor Ag 3 AuSe 2

Previous band structure calculations predicted Ag 3 AuSe 2 to be a semiconductor with a band gap of approximately 1 eV. Here, we report single crystal growth of Ag 3 AuSe 2 and its transport and optical properties. Single crystals of Ag 3 AuSe 2 were synthesized by slow-cooling from the melt, and grain sizes were confirmed to be greater than 2 mm using electron backscatter diffraction. Optical and transport measurements reveal that Ag 3 AuSe 2 is a highly resistive semiconductor with a band gap and activation energy around 0.3 eV. Our first-principles calculations show that the experimentally determined band gap lies between the predicted band gaps from GGA and hybrid functionals. We predict band inversion to be possible by applying tensile strain. The sensitivity of the gap to Ag/Au ordering, chemical substitution, and heat treatment merit further investigation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗