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At least 991 records · Page 55

Deployment of BISON models of fuel restructuring at high burnup and related fission gas behavior in UO 2

This milestone report details the advancements made in fiscal year 2024 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to improve the modeling of fission gas behavior in high burnup UO 2 nuclear fuel in the BISON fuel performance code. As nuclear fuel is pushed to higher burnups, significant microstructural changes occur within the fuel, including the formation of a high burnup structure (HBS) on the pellet rim and a dark zone deeper within the pellet. These regions, characterized by subgrain formation and increased pore densities, have critical implications for fission gas behavior and release, which are not well understood. The modeling capabilities in BISON did not adequately predict these phenomena, leading to an underestimation of fuel restructuring and - potentially - of fission gas release. To address these gaps, this milestone focused on three key objectives: (1) reviewing and assessing Sifgrs's capabilities for low burnup fuel, on which high burnup capabilities rely, (2) validating and expanding HBS fission gas modeling capabilities, including investigating mechanisms for fission gas release from HBS, and (3) expanding Sifgrs to enable modeling of dark zone formation and its effects on fission gas behavior. These objectives were achieved and are described herein. The achievements of this NEAMS milestone are significant for the industry's goal of burnup extension. The improved predictive modeling capabilities for both low- and high-burnup conditions enhance our understanding of fuel performance under both normal operations and transient scenarios. Although goals were reached, future work is necessary to validate these models against experimental data and quantify their accuracy in different conditions. In parallel, mechanistic modeling efforts should continue to extend and refine these capabilities to increase accuracy while reducing reliance on empirical models. This will ensure robust performance across a broader range of conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Room Temperature Quasi-static Characterization and Constitutive Model Parametrization of Flexible Polyurethane Foams of Different Densities Loaded in Different Orientations

This report describes the efforts to characterize and model General Plastics TF6070 and EF4000 flexible polyurethane foams under room temperature, large deformation quasi-static cyclic mechanical loading conditions. Densities from three to fifteen pound per cubic foot (PCF) are examined, which correspond to relative densities of approximately 4 to 20%. These foams are open cell structured and flexible at room temperature with a glass transition transition less than -30°C, and they fully recover their original shape when unloaded (at room temperature). Uniaxial compression tests were conducted with accompanying lateral image series for Digital Image Correlation (DIC) analysis with the goal of extracting transverse strain responses. Due to difficulties with DIC analysis at large strains, lateral strains were instead extracted for each test via edge tracking. The experimental results exhibit a nonlinear elastic response and anisotropic material behavior (particularly for the lower densities). Some hysteresis is observed that is different between the first and subsequent cycles of deformation indicating both a small degree of permanent damage (reduced stiffness during reloading) and viscoelasticity. These inelastic mechanisms are not considered in the modeling and calibration in this report. This work considers only the rate independent, room temperature foam behavior. Individual foam densities were calibrated for loading in two directions, parallel and perpendicular to the foam bubble rise direction, since the mechanical behavior is different in these two directions. The Flex Foam constitutive model was used for all parameterizations despite the fact that the model is isotropic. A review of the constitutive model is given as well as necessary data reduction procedures to parameterize it for each foam density and orientation are discussed. Finally, two different parameterizations are developed that take the undeformed foam density as an input that span all densities considered. These two parameterized models represent foams loaded in the rise and transverse directions respectively. We summarize the assumptions and limitations of the parameterizations provided in this report to guide analysis choices with them. All parameterizations presented herein have the following traits, room temperature, rate independent, damage-free, and non-dissipative . Isotropy (even if they are representing anisotropic data). Supplied Sierra Solid Mechanics Flex Foam Model Inputs are in units: pounds, inches, Celsius, and seconds

36 MATERIALS SCIENCE↗

Accelerated Materials Deployment in Advanced Nuclear Power Plants

The purpose of this report is to begin the development of a maximally efficient process for licensing and deploying new materials in Advanced Non-Light-Water Reactors (ANLWRs). Some new materials that are to be used in some new plants are seen as possibly introducing risks, because our understanding of those new materials’ behavior in the conditions generated by some novel plant designs is less complete than our understanding of the behavior of materials with long use histories in existing designs. In these cases, an approved code/standard or a code case to support the use of these materials in the novel design’s safety case may not exist for the regulator to utilize as part of the licensing determination. This circumstance creates the potential for an extremely long licensing process for new designs using new materials. The present strategy is to show how to manage these risks proactively, in such a way as to permit licensing decisions to be made in a timely manner, based on this risk management process. The present report outlines the gaps in the current codes to support deployment and use of novel materials and begins the development of the necessary risk management framework that is focused on the subject materials issues; it is based on risk-informed in-service surveillance practices, carried out in such a way as to compensate for current limitations in our state of knowledge. This development will enable licensing and deployment of the subject materials, conditional on the proactive surveillance process to be established. While this report is occasioned by limitations in our knowledge of certain materials issues that may arise in advanced designs, in-service surveillance is always done in order to compensate for a lack of knowledge: if we knew that components were not already failed and not trending toward failure, we would not perform surveillance, even in current-generation plants (except that prescriptive requirements would force us to do so). What is different about the surveillance program discussed here is that the issues are newer and the relevant experience base is less complete, so the surveillance presently contemplated may need to measure new things and/or measure them more often than has been traditional for surveillance coupons. The present report is devoted to the risk management framework and applies American Society of Mechanical Engineers Boiler and Pressure Vessel Code Section XI, Division [1] to establish the structure of a protocol for carrying out the necessary surveillance. These documents are generic: they do not tell us how often to surveille, or what to surveille, or what to measure, but rather how to determine those things, given certain technical inputs. The Regulatory Development R&D Program [2] is currently developing the companion supporting technical basis for the materials surveillance technology that, when completed and validated, can be used by owner/operator and NRC to implement a materials degradation management program for ANLWRs. This report also outlines salient points of discussion, positive potential outcomes, and potential concerns from industry and the USNRC. These aspects of the report intend to inform future work to develop a proposed technical process for adoption by the industry and endorsement by the USNRC to allow developers to propose a risk informed and conservative approach for the use of materials where operating experience/data and codes and standards may not exist for use of a novel material in an operating reactor environment. Additionally, such a technology could be leveraged to potentially reduce part of the upfront materials data requirements from ongoing long-term materials testing so that early action on license application could be undertaken by NRC, in parallel with the continuation of long-term data collection. This could accelerate the schedule for a first-of-a-kind ANLWR deployment or a nth-of-a-kind new materials insertion for established ANLWR designs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller–Plesset perturbation method

Here, using an OpenMP Application Programming Interface, the resolution-of-the-identity second-order Møller–Plesset perturbation (RI-MP2) method has been off-loaded onto graphical processing units (GPUs), both as a standalone method in the GAMESS electronic structure program and as an electron correlation energy component in the effective fragment molecular orbital (EFMO) framework. First, a new scheme has been proposed to maximize data digestion on GPUs that subsequently linearizes data transfer from central processing units (CPUs) to GPUs. Second, the GAMESS Fortran code has been interfaced with GPU numerical libraries (e.g., NVIDIA cuBLAS and cuSOLVER) for efficient matrix operations (e.g., matrix multiplication, matrix decomposition, and matrix inversion). The standalone GPU RI-MP2 code shows an increasing speedup of up to 7.5× using one NVIDIA V100 GPU with one IBM 42-core P9 CPU for calculations on fullerenes of increasing size from 40 to 260 carbon atoms using the 6-31G(d)/cc-pVDZ-RI basis sets. A single Summit node with six V100s can compute the RI-MP2 correlation energy of a cluster of 175 water molecules using the correlation consistent basis sets cc-pVDZ/cc-pVDZ-RI containing 4375 atomic orbitals and 14 700 auxiliary basis functions in ~0.85 h. In the EFMO framework, the GPU RI-MP2 component shows near linear scaling for a large number of V100s when computing the energy of an 1800-atom mesoporous silica nanoparticle in a bath of 4000 water molecules. The parallel efficiencies of the GPU RI-MP2 component with 2304 and 4608 V100s are 98.0% and 96.1%, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Relative alignment between magnetic fields and molecular gas structure in molecular clouds

Here, we compare the structure of synthetic dust polarization with synthetic molecular line emission from radiative transfer calculations using a three-dimensional, turbulent collapsing-cloud magnetohydrodynamics simulation. The histogram of relative orientation (HRO) technique and the projected Rayleigh statistic (PRS) are considered. In our trans-Alfvénic (more strongly magnetized) simulation, there is a transition to perpendicular alignment at densities above ~4 × 10 3 cm –3 . This transition is recovered in most of our synthetic observations of optically thin molecular tracers; however, for 12 CO it does not occur and the PRS remains in parallel alignment across the whole observer space. We calculate the physical depth of the optical depth τ = 1 surface and find that for 12 CO it is largely located in front of the cloud mid-plane, suggesting that 12 CO is too optically thick and instead mainly probes low-volume density gas. In our super-Alfvénic simulation, the magnetic field becomes significantly more tangled, and all observed tracers tend towards no preference for perpendicular or parallel alignment. An observable difference in alignment between optically thin and optically thick tracers may indicate the presence of a dynamically important magnetic field, though there is some degeneracy with viewing angle. We convolve our data with a Gaussian beam and compare it with HRO results of the Vela C molecular cloud. We find good agreement between these results and our sub-Alfvénic simulations when viewed with the magnetic field in the plane of the sky (especially when sensitivity limitations are considered), though the observations are also consistent with an intermediately inclined magnetic field.

79 ASTRONOMY AND ASTROPHYSICS↗

Simulations of Magnetic Reconnection - Kinetic Mechanisms Underlying the Fluid Description of Ions

Because of its ability to transfer the energy stored in magnetic field together with the breaking of the flux freezing constraint, magnetic reconnection is considered as one of the most important phenomena in plasma physics. When it happens in a collision less environment such as the terrestrial magnetosphere, it should a priori be modelled with in the framework of kinetic physics. The evidence of kinetic features has incidentally for a long time, been shown by researchers with the help of both numerical simulations and satellite observations. However, most of our understanding of the process comes from the more intuitive fluid interpretation with simple closure hypothesis which do not include kinetic effects. To what extent are these two separate descriptions of the same phenomenon related? What is the role of kinetic effects in the averaged/fluid dynamics of reconnection? This thesis addresses these questions for the proton population in the particular case of anti parallel merging with the help of 2D Hybrid simulations. We show that one can not assume, as is usually done, that the acceleration of the proton flow is only due to the Laplace force. Our results show, for symmetric and asymmetric connection, the importance of the pressure force, opposed to the electric one on the separatrices, in the decoupling region. In the symmetric case, we emphasize the kinetic origin of this force by analyzing the proton distribution functions and explain their structure by studying the underlying particle dynamics. Protons, as individual particles, are shown to bounce in the electric potential well created by the Hall effect. The spatial divergence of this well results in a mixing in phase space responsible for the observed structure of the pressure tensor. A detailed energy budget analysis confirms the role of the pressure force for the acceleration; but, contrary to what is sometimes assumed, it also reveals that the major part of the incoming Poynting flux is transferred to the thermal energy flux rather than to the convective kinetic energy flux, although the latter is generally supposed dominant. In the symmetric case, we propose the pressure tensor to be an additional proxy of the ion decoupling region in satellite data and verify this suggestion by studying a reconnection event encountered by the Cluster spacecrafts. Finally, the last part of this thesis is devoted to the study of the kinetic structure of asymmetric tangential current sheets where connection can develop. This theoretical part consists in finding a steady state solution to the Vlasov-Maxwell system for the protons in such a configuration. We present the theory and its first confrontation to numerical tests.

Aunai, icolas↗

The Thermal Plumbing System of Stromboli Volcano, Aeolian Islands (Italy) Inferred From Electrical Conductivity and Induced Polarization Tomography

Abstract We performed the first 3D island‐scale tomography of the electrical conductivity of Stromboli volcano (Aeolian Islands, Italy) using 2D acquisition lines (37.2 km) and a total of 18,880 measurements and 2,402 unique electrode locations. This 3D data set was inverted using a Gauss‐Newton algorithm, parallel‐processing on an unstructured tetrahedral mesh containing 678,420 finite‐element nodes and 3,580,145 elements to account for the topography of the volcanic island. The tomogram exhibits a conductive body (10 −2 –1.0 S m −1 ) consistent with the location of CO 2 and temperature anomalies observed at the ground surface. It corresponds to the hydrothermal system with high electrical conductivity associated with alteration. In order to confirm this interpretation, a 2.5D large‐scale induced polarization tomography was performed crossing the volcano. The joint interpretation of the conductivity and normalized chargeability is done with a petrophysical model previously tested and verified at both shield‐ and strato‐volcanoes. This model implies that alteration (through the effect of the cation exchange capacity associated with clay minerals and zeolites) plays a strong role in both controlling the electrical conductivity and normalized chargeability at Stromboli volcano. A temperature tomogram, derived from the geoelectrical measurements, is consistent with surface temperature anomalies and the Very Long Period (VLP) seismicity related to the mild‐explosive activity. This survey displays at 600 m a.s.l. a lateral shift in the highest temperature location, also corresponding to the source of VLP seismicity. Structural boundaries have a major role in the hottest hydrothermal fluids rising below the active crater terrace of Stromboli volcano.

58 GEOSCIENCES↗

An alkaline tin(II) halide compound Na{sub 3}Sn{sub 2}F{sub 6}Cl: Synthesis, structure, and characterization

A new alkali tin(II) halide compound, Na{sub 3}Sn{sub 2}F{sub 6}Cl, is synthesized by hydrothermal method. This compound crystallizes trigonally in space group of R-3c (167), and processes a zero-dimensional (0D) structure consisted of Na{sup +} cations, Cl{sup −} anions and the isolated [SnF{sub 3}]{sup -} trigonal pyramids in which the stereochemically active 5s{sup 2} lone pair electrons are attached to the Sn{sup 2+} cations. Interestingly, the [SnF{sub 3}]{sup −} trigonal pyramids are parallel arranged in the a-b plane, while oppositely arranged in line with rotation along the c- axis. Moreover, the energy bandgap, thermal stability and electronic structure of Na{sub 3}Sn{sub 2}F{sub 6}Cl are characterized and the results reveal that this compound has and indirect bandgap of 3.88 eV and is stable under 270 °C. - Graphical abstract: A zero-dimensional alkaline tin halide compound, Na{sub 3}Sn{sub 2}F{sub 6}Cl, is synthesized by hydrothermal method. Interestingly, both the anions and cations coordinating polyhedra exhibit order arranged with the [SnF{sub 3}]{sup -} trigonal pyramids rotating along the c- axis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Exobiological Role of Interstellar Polycyclic Aromatic Hydrocarbons and Ices

Tremendous strides have been made in our understanding of interstellar material over the past twenty years thanks to significant, parallel developments in observational astronomy and laboratory astrophysics. Before this time, the composition of interstellar dust was largely guessed-at, the presence of ices in interstellar clouds ignored, and the notion that large, gas phase, carbon rich molecules might be abundant and widespread throughout the interstellar medium (ISM) considered impossible. Today, the composition of dust in the ISM is reasonably well constrained to micron-sized cold refractory materials comprised of amorphous and crystalline silicates mixed with an amorphous carbonaceous material containing aromatic structural units and short, branched aliphatic chains. Shrouded within the protective confines of cold, opaque molecular clouds--the birthplace of stars and planets--these cold dust particles secrete mantles of mixed molecular ices whose compositions are also well constrained. Finally, amidst the molecular inventory of these ice mantles are likely to be found polycyclic aromatic hydrocarbons (PAHs), shockingly large molecules by the standards of interstellar chemistry, the telltale infrared spectral signature of which is now recognized throughout the Universe. In the first part of this talk, we will review the spectroscopic evidence that forms the basis for the currently accepted abundance and ubiquity of PANs in the ISM. We will then look at a few specific examples which illustrate how experimental and theoretical data can be applied to interpret the interstellar spectra and track how the PAN population evolves as it passes from its formation site in the circumstellar outflows of dying stars, through the various phases of the ISM, and into forn~iing planetary systems. Nevertheless, despite the fact that PANs likely represent the single largest molecular reservoir of organic carbon in evolving planetary systems, they are not what would be considered "biogenic" molecules. Although interesting from a chemical and astrophysical standpoint, in the absence of a mechanism by which this population can be dislodged from the precipitous thermodynamic well afforded by their extensive aromatic networks, they are of little Astrobiological significance. Consequently, for the remainder of the talk, we will consider the photochemical evolution of PANS under conditions similar to those found in the ISM and in proto-planetary systems with an eye toward means by which this rich repository of pre-biotic organic "ore" might be converted into materials of greater importance to Astrobiology.

Hudgins, Douglas M.↗

Development of a Modeling Framework to Support Control Investigations of Sailcraft Missions A First Cut: ABLE Sailcraft Dynamics Model

Solar Sailcraft, the stuff of dreams of the H.G. Wells generation, is now a rapidly maturing reality. The promise of unlimited propulsive power by harnessing stellar radiation is close to realization. Currently, efforts are underway to build, prototype and test two configurations. These sails are designed to meet a 20m sail requirement, under guidance of the In-Space Propulsion (ISP) technology program office at MSFC. While these sails will not fly , they are the first steps in improving our understanding of the processes and phenomena at work. As part of the New Millennium Program (NMP) the ST9 technology validation mission hopes to launch and fly a solar sail by 2010 or sooner. Though the Solar Sail community has been studying and validating various concepts over two decades, it was not until recent breakthroughs in structural and material technology, has made possible to build sails that could be launched. With real sails that can be tested (albeit under earth conditions), the real task of engineering a viable spacecraft has finally commenced. Since it is not possible to accurately or practically recreate the actual operating conditions of the sailcraft (zero-G, vacuum and extremely low temperatures), much of the work has focused on developing accurate models that can be used to predict behavior in space, and for sails that are 6-10 times the size of currently existing sails. Since these models can be validated only with real test data under "earth" conditions, the process of modeling and the identification of uncertainty due to model assumptions and scope need to be closely considered. Sailcraft models that exist currently, are primarily focused on detailed physical representations at the component level, these are intended to support prototyping efforts. System level models that cut across different sail configurations and control concepts while maintaining a consistent approach are non-existent. Much effort has been focused on the areas of thrust performance, solar radiation prediction, and sail membrane behavior vis-a-vis their reflective geometry, such as wrinkling/folding/furling as it pertains to thrust prediction. A parallel effort has been conducted on developing usable models for developing attitude control systems (ACS), for different sail configurations in different regimes. There has been very little by way of a system wide exploration of the impact of the various control schemes, thrust prediction models for different sail configurations being considered.

Sarathy, Sriprakash↗

Issues on Reproducibility/Reliability of Magnetic NDE Methods

One of the critical elements related to the practicality of any NDE technique is its reproducibility under nominally the same inspection conditions. The results of certain test methodologies, however, are not always repeatable and understanding the origin of the irreproducibility is often as critical as obtaining reproducible results. One example is the characterization of residual stress in structural ferromagnets using the magnetoacoustic (MAC) method. Although it has not been widely publicized, the test results of this method are known to be time-dependent. Two distinct types of time dependencies have been observed during testing. The first type has a clearly definable relaxation time, while no such trend has been observed for the second. The purpose of the present study is to systematically investigate the time dependence of the second type, to find out the range and, if possible, the origin of the variation in the test results. For this, MAC curves were obtained under various stress levels and the tests were repeated over time. Particular attention was given to whether noise in the measuring device or a change in the laboratory environment could have been a contributing factor. The steel samples used for the study were cut from C- and U-class railroad wheels. The MAC behavior of these samples was reported previously. Each steel sample was first machined to be a cylindrical rod of 3.175 cm (1.25 in) in diameter and 26.67 cm (10.5 in) in length. The center portion of the samples were further machined to form a pair of flat and parallel surfaces for the launch and reflection of the ultrasonic pulses. Data acquisition involved two major elements; magnetic and acoustic measurements. Throughout the experiment the net magnetic induction, B, was measured by integrating the induction pickup coil output using an integrating fluxmeter. The acoustic measurements employed the phase-locked technique which will be described in the following.

Namkung, M.↗

The Plasmasphere as "Seen" by the IMAGE Mission

The Imager for Magnetopause-to-Aurora Global Exploration (IMAGE) is the first mission designed exclusively to remotely measure the magnetosphere. As such, it will reveal the ring current, plasmasphere, polar cusp, and magnetopause as whole extended, interacting systems. For the first time, our impressions of the global magnetosphere, synthesized through many years of whistler and in situ measurement, will be replaced by images. The overall morphology of each system of plasma and the correspondence of changes between them in response to the sun and solar wind will become available. The Extreme Ultraviolet Imager (EUV) and the Radio Plasma Imager (RPI) are the two IMAGE instruments which will remotely measure and image the plasmasphere. What we expect to "see" from these instruments and how it may be interpreted is the subject of this presentation. The EUV instrument includes three optical cameras, with an almost 90 degree field of view, transverse to the spin axis. EUV is designed to see He+ ions in resonantly scatter solar light at 30.4rim. The IMAGE spacecraft will spin with a period of about 2 minutes, with its spin axis parallel to the orbit normal. The IMAGE orbit will be highly inclined, with a high latitude apogee at a geocentric distance of 8RE and perigee of about 1.2RE. The normal observing integration time of 10 minutes will easily see to the outer edge of the plasmasphere. The RPI instrument makes use of three orthoganal dipole antennas: two in the spin plane with a tip-to-tip length of 500m and one along the spin axis with a length of 20 meters. Using coded pulse transmissions, the RPI instrument will broadcast from 3kHz to 3MHz. With one minute resolution, plasma densities from about 0.1 cm(exp -3) to 100,000 cm(exp -3), along with line-of-sight bulk velocities and locations, will be obtained from all returned radio wave signals. When transmitting from the high latitude magnetospheric cavity, RPI will measure density profiles for the major plasma structures in the magnetosphere, including the magnetopause, polar cusp, and plasmasphere. RPI should also see isolated density irregularities and possibly the plasma sheet. Observations The EUV instrument will return line-of-sight integrated images through the optically thin helium medium of the plasmasphere and magnetosphere. A variety of techniques have been suggested for the translation of the images into physically useful data, such as plasmapause location and three dimensional density distribution. The RPI instrument will return quantitative density values and line-of-sight velocity as a function of position along reflecting wave propagation paths. How they may be used individually and together to study plasmaspheric dynamics and global structure will be discussed. Attention will also be given to the data products and how access to IMAGE data will be provided by the IMAGE team and the NSSDC.

Gallagher, D. L.↗

Towards a Realistic Pulsar Magnetosphere

We present the magnetic and electric field structures as well as the currents ami charge densities of pulsar magnetospberes which do not obey the ideal condition, E(raised dot) B = O. Since the acceleration of particles and the production of radiation requires the presence of an electric field component parallel to the magnetic field, E(sub ll) the structure of non-Ideal pulsar magnetospheres is intimately related to the production of pulsar radiation. Therefore, knowledge of the structure of non-Ideal pulsar maglletospheres is important because their comparison (including models for t he production of radiation) with observations will delineate the physics and the parameters underlying the pulsar radiation problem. We implement a variety of prescriptions that support nonzero values for E(sub ll) and explore their effects on the structure of the resulting magnetospheres. We produce families of solutions that span the entire range between the vacuum and the (ideal) Force-Free Electrodynamic solutions. We also compute the amount of dissipation as a fraction of the Poynting flux for pulsars of different angles between the rotation and magnetic axes and conclude that tltis is at most 20-40% (depending on t he non-ideal prescription) in the aligned rotator and 10% in the perpendicular one. We present also the limiting solutions with the property J = pc and discuss their possible implicatioll on the determination of the "on/ off" states of the intermittent pulsars. Finally, we find that solutions with values of J greater than those needed to null E(sub ll) locally produce oscillations, potentially observable in the data.

Kalapotharakos, Constantinos↗

Tethered Space Satellite-1 (TSS-1): Technical Roundabouts

In the early 1990's US and Italian scientists collaborated to study the electrodynamics of dragging a satellite on a tether through the electrically charged portion of Earth's atmosphere called the ionosphere. An electrical current induced in the long wire could be used for power and thrust generation for a satellite. Other tether uses include momentum exchange, artificial gravity, deployment of sensors or antennas, and gravity-gradient stabilization for satellites. Before the Tethered Space Satellite (TSS-1), no long tether had ever been flown, so many questions existed on how it would actually behave. The TSS consisted of a satellite with science experiments attached to a 12.5 mile long, very thin (0.10 inch diameter) copper wire assembly wound around a spool in the deployer reel mechanism. With the Space Shuttle at an altitude of 160 nautical miles above earth, the satellite was to be deployed by raising it from the Shuttle bay on a boom facing away from Earth. Once cleared of the bay, the deployer mechanism was to slowly feed out the 12-plus miles of tether. Scientific data would be collected throughout the operation, after which the satellite would be reeled back in. Pre-flight testing system level tests involved setting up a tether receiver to catch the 12.5 mile tether onto another reel as it was being unwound by the deployer reel mechanism. Testing only the reel mechanism is straightforward. This test becomes more complicated when the TSS is mounted on the flight pallet at Kennedy Space Center (KSC). The system level tests must be passed before the pallet can be installed into the Space Shuttle cargo bay. A few months before flight, the TSS payload had been integrated onto the Spacelab pallet and system level tests, including unreeling and reeling the tether, had been successfully completed. Some of this testing equipment was then shipped back to the contractor Martin Marietta. Systems-level load analyses, which cannot be run until all information about each payload is finalized, was run in parallel with the physical integration of the hardware into the Shuttle payload bay. The coupled loads analysis, as it is called, incorporates any updates to the model due to system level tests, and any changes that were found during integration. The coupled loads analysis revealed that a single bolt attaching the deployer reel mechanism to the support structure had a "negative margin" - which is an indication that it might fail during operation. Hardware certification rules do not allow for hardware to fly with negative margins, so this issue had to be resolved before the flight. Since there is conservatism in engineering analysis, there is an option to "waive" the margin requirement, and fly the experiment as is. On the other hand, a structural failure of one payload could have serious or catastrophic consequences to other payloads and possibly the mission. Minor design changes or fixes might be feasible within the payload bay prior to launch. Any major design changes that required the spooling test to validate the hardware, or for the pallet to be removed, would cause TSS not to be ready for the Shuttle launch.

O'Connor, Brian↗

The utilization of satellite data and dynamics in understanding and predicting global weather phenomena

A two layer spectral quasi-geostrophic model is used to simulate the effects of topography on the equilibria, the stability, and the long term evaluation of incipient unstable waves. The flow is forced by latitudinally dependent radiational heating. The nature of the form drag instability of high index equilibria is investigated. The proximity of the equilibrium shear to a resonant value is essential for the instability, provided the equilibrium occurs at a slightly stronger shear than resonance. The properties of the steady Hadley and Rossby required for a thermally forced rotating fluid on a sphere are further explained. An objective parameterization technique is developed for general nonlinear hydrodynamical systems. The typical structure is one in which the rates of change of the dependent variables depend on homogeneous quadratic and linear forms, as well as on inhomogeneous forcing terms. Also documented is a steady, axisymmetric model of the general circulation developed as a basis for climate stability studies. The model includes the effects of heating, rotation, and internal friction, but neglects topography. Included is further research on cloud street phenomena. Orientation angles and horizontal wavelengths of boundary layer rolls and cloud streets are determined from an analysis of a truncated spectral model of three dimensional shallow moist Boussinesq convection in a shearing environment is further explained. Relatively broadly spaced roll clouds have orientations for which the Fourier component of the roll perpendicular shear is nearly zero, but the second corresponds to narrowly spaced rolls having orientations for which the Fourier coefficients of both the perpendicular and the parallel components of the shear are nearly equal.

Shirer, H. N.↗

Integrated Predictive Tools for Customizing Microstructure and Material Properties of Additively Manufactured Aerospace Components

Additive Manufacturing (AM) refers to a process by which digital three-dimensional (3-D) design data is converted to build up a component by depositing material layer-by-layer. United Technologies Corporation (UTC) is currently involved in fabrication and certification of several AM aerospace structural components made from aerospace materials. This is accomplished by using optimized process parameters determined through numerous design-of-experiments (DOE)-based studies. Certification of these components is broadly recognized as a significant challenge, with long lead times, very expensive new product development cycles and very high energy consumption. Because of these challenges, United Technologies Research Center (UTRC), together with UTC business units have been developing and validating an advanced physics-based process model. The specific goal is to develop a physics-based framework of an AM process and reliably predict fatigue properties of built-up structures as based on detailed solidification microstructures. Microstructures are predicted using process control parameters including energy source power, scan velocity, deposition pattern, and powder properties. The multi-scale multi-physics model requires solution and coupling of governing physics that will allow prediction of the thermal field and enable solution at the microstructural scale. The state-of-the-art approach to solve these problems requires a huge computational framework and this kind of resource is only available within academia and national laboratories. The project utilized the parallel phase-fields codes at Oak Ridge National Laboratory (ORNL) and Lawrence Livermore National Laboratory (LLNL), along with the high-performance computing (HPC) capabilities existing at the two labs to demonstrate the simulation of multiple dendrite growth in threedimensions (3-D). The LLNL code AMPE was used to implement the UTRC phase field model that was previously developed for a model binary alloy, and the simulation results were compared against the UTRC simulation results, followed by extension of the UTRC model to simulate multiple dendrite growth in 3-D. The ORNL MEUMAPPS code was used to simulate dendritic growth in a model ternary alloy with the same equilibrium solidification range as the Ni-base alloy 718 using realistic model parameters, including thermodynamic integration with a Calphad based model for the ternary alloy. Implementation of the UTRC model in AMPE met with several numerical and parametric issues that were resolved and good comparison between the simulation results obtained by the two codes was demonstrated for two dimensional (2-D) dendrites. 3-D dendrite growth was then demonstrated with the AMPE code using nondimensional parameters obtained in 2-D simulations. Multiple dendrite growth in 2-D and 3-D were demonstrated using ORNL’s MEUMAPPS code using simple thermal boundary conditions. MEUMAPPS was then modified to incorporate the complex, time-dependent thermal boundary conditions obtained by UTRC’s thermal modeling of single track AM experiments to drive the phase field simulations. The results were in good agreement with UTRC’s experimental measurements.

36 MATERIALS SCIENCE↗

Structural and thermal properties of Na 2 Mn(SO 4 ) 2 ·4H 2 O and Na 2 Ni(SO 4 ) 2 ·10H 2 O

The title compounds were prepared via a wet chemistry route and their crystal structures were determined from single crystal X-ray diffraction data. Na 2 Mn(SO 4 ) 2 ·4H 2 O crystallizes with a monoclinic symmetry, space group P2 1 /c, with a = 5.5415(2), b = 8.3447(3), c = 11.2281(3) Å, β = 100.172(1)°, V = 511.05(3) Å 3 and Z = 2. Na 2 Ni(SO 4 ) 2 ·10H 2 O also crystallizes with a monoclinic symmetry, space group P2 1 /c, with a = 12.5050(8), b = 6.4812(4), c = 10.0210(6) Å, β = 106.138(2)°, V = 780.17(8) Å3 and Z = 2. Na 2 Mn(SO 4 ) 2 ·4H 2 O is a new member of the blödite family of compounds, whereas Na 2 Ni(SO 4 ) 2 ·10H 2 O is isostructural with Na 2 Mg(SO 4 ) 2 ·10H 2 O. The structure of Na 2 Mn(SO 4 ) 2 ·4H 2 O is built up of [Mn(SO 4 ) 2 (H 2 O) 4 ] 2– building blocks connected through moderate O–H…O hydrogen bonds with the sodium atoms occupying the large tunnels along the a axis and the manganese atom lying on an inversion center, whereas the structure of Na 2 Ni(SO 4 ) 2 ·10H 2 O is built up of [Ni(H 2 O) 6 ] 2+ and [Na 2 (SO 4 ) 2 (H 2 O) 4 ] 2– layers. These layers which are parallel to the (100) plane are interconnected through moderate O–H…O hydrogen bonds. Here, the thermal gravimetric- and the powder X-ray diffraction-analyzes showed that only the nickel phase was almost pure. At a temperature above 300 °C, all the water molecules evaporated and a structural phase transition from P2 1 /c-Na 2 Ni(SO 4 ) 2 ·10H 2 O to C2/c-Na 2 Ni(SO 4 ) 2 was observed. C2/c-Na 2 Ni(SO 4 ) 2 is thermally more stable than Na 2 Fe(SO 4 ) 2 and therefore it would be suitable as the positive electrode for sodium ion batteries if a stable electrolyte at high voltage is developed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Composite load spectra for select space propulsion structural components

The objective of this program is to develop generic load models with multiple levels of progressive sophistication to simulate the composite load spectra that are induced in space propulsion system components, representative of Space Shuttle Main Engines (SSME), such as transfer ducts, turbine blades, and liquid oxygen (LOX) posts and system ducting. These models will be developed using two independent approaches. The first approach consists of using state-of-the-art probabilistic methods to describe the individual loading conditions and combinations of these loading conditions to synthesize the composite load spectra simulation. The methodology required to combine the various individual load simulation models (hot-gas dynamic, vibrations, instantaneous position, centrifugal field, etc.) into composite load spectra simulation models will be developed under this program. A computer code incorporating the various individual and composite load spectra models will be developed to construct the specific load model desired. The second approach, which is covered under the options portion of the contract, will consist of developing coupled models for composite load spectra simulation which combine the (deterministic) models for composite load dynamic, acoustic, high-pressure and high rotational speed, etc., load simulation using statistically varying coefficients. These coefficients will then be determined using advanced probabilistic simulation methods with and without strategically selected experimental data. This report covers the efforts of the third year of the contract. The overall program status is that the turbine blade loads have been completed and implemented. The transfer duct loads are defined and are being implemented. The thermal loads for all components are defined and coding is being developed. A dynamic pressure load model is under development. The parallel work on the probabilistic methodology is essentially completed. The overall effort is being integrated in an expert system code specifically developed for this project.

Newell, J. F.↗