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At least 505 records · Page 28

Possible Methods to Estimate Core Location in a Beyond-Design-Basis Accident at a GE BWR with a Mark I Containment Stucture

It is difficult to track to the location of a melted core in a GE BWR with Mark I containment during a beyond-design-basis accident. The Cooper Nuclear Station provided a baseline of normal material distributions and shielding configurations for the GE BWR with Mark I containment. Starting with source terms for a design-basis accident, methods and remote observation points were investigated to allow tracking of a melted core during a beyond-design-basis accident. The design of the GE BWR with Mark-I containment highlights an amazing poverty of expectations regarding a common mode failure of all reactor core cooling systems resulting in a beyond-design-basis accident from the simple loss of electric power. This design is shown in Figure 1. The station blackout accident scenario has been consistently identified as the leading contributor to calculated probabilities for core damage. While NRC-approved models and calculations provide guidance for indirect methods to assess core damage during a beyond-design-basis loss-of-coolant accident (LOCA), there appears to be no established method to track the location of the core directly should the LOCA include a degree of fuel melt. We came to the conclusion that - starting with detailed calculations which estimate the release and movement of gaseous and soluble fission products from the fuel - selected dose readings in specific rooms of the reactor building should allow the location of the core to be verified.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Review of Dew Point Evaporative Cooling Technology for Air Conditioning Applications

Indirect evaporative cooling has the potential to significantly improve the natural environment. It follows from a significant reduction in electricity consumption in the hot period, and hence lower operating costs for cooling systems. This paper presents the current state of knowledge and research directions on dew point indirect evaporative cooling. It was found that researchers focus on the development of dew point indirect evaporative coolers (DPIEC) by improving its design, geometry, water distribution, and new porous materials implementation. To evaluate the performance of new types of DPIEC, different methods are used by the scientists. Finally, optimized devices are studied in terms of their performance in different systems, like hybrid and desiccant systems, considering different climate conditions. Potential directions of development of evaporative technologies were indicated, such as increasing the coefficient of performance of solid desiccant evaporative cooling systems, developing novel geometry, and efficient water distribution, including development of porous materials.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Capture and X-ray diffraction studies of protein microcrystals in a microfluidic trap array

A microfluidic platform has been developed for the capture and X-ray analysis of protein microcrystals, affording a means to improve the efficiency of XFEL and synchrotron experiments. X-ray free-electron lasers (XFELs) promise to enable the collection of interpretable diffraction data from samples that are refractory to data collection at synchrotron sources. At present, however, more efficient sample-delivery methods that minimize the consumption of microcrystalline material are needed to allow the application of XFEL sources to a wide range of challenging structural targets of biological importance. Here, a microfluidic chip is presented in which microcrystals can be captured at fixed, addressable points in a trap array from a small volume (<10 µl) of a pre-existing slurry grown off-chip. The device can be mounted on a standard goniostat for conducting diffraction experiments at room temperature without the need for flash-cooling. Proof-of-principle tests with a model system (hen egg-white lysozyme) demonstrated the high efficiency of the microfluidic approach for crystal harvesting, permitting the collection of sufficient data from only 265 single-crystal still images to permit determination and refinement of the structure of the protein. This work shows that microfluidic capture devices can be readily used to facilitate data collection from protein microcrystals grown in traditional laboratory formats, enabling analysis when cryopreservation is problematic or when only small numbers of crystals are available. Such microfluidic capture devices may also be useful for data collection at synchrotron sources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Subintimal Angioplasty of Long Chronic Total Femoropopliteal Occlusions: Long-Term Outcomes, Predictors of Angiographic Restenosis, and Role of Stenting

Purpose: The purpose of this article is to report the results of a prospective single-center study analyzing the long-term clinical and angiographic outcomes of subintimal angioplasty (SIA) for the treatment of chronic total occlusions (CTOs) of the femoropopliteal artery. Materials and Methods: Patients with severe intermittent claudication or critical limb ischemia (CLI) were enrolled in the study. All lesions were treated with SIA and provisional stenting. Primary end points were technical success, patient survival, limb salvage, lesion primary patency, angiographic binary restenosis (>50%), and target lesion revascularization (TLR). Regular clinical and angiographic follow-up was set at 6 and 12 months and yearly thereafter. Study end points were calculated with life-table survival analysis. Proportional-hazards regression analysis with a Cox-model was applied to adjust for confounding factors of heterogeneity. Results: Between May 2004 and July 2009, 98 patients (105 limbs, patient age 69.3 {+-} 9.9 years) were included in the study. Technical success rate was 91.4% with a lesion length of 121 {+-} 77 mm. Limb-salvage and survival rates were 88.7% and 84.1% at 3 years, respectively. After 12, 24, and 36 months, primary patency was 80.1%, 42.3%, and 29.0%, angiographic binary restenosis was 37.2%, 68.6%, and 80.0%, and TLR was 84.8%, 73.0%, and 64.5%, respectively. CLI was the only adverse predictor for decreased primary patency (hazard ratio [HR] 0.36; 95% confidence interval [CI] 0.16-0.80, p = 0.012), whereas significantly less restenosis was detected after spot stenting of the entry and/or re-entry site (HR 0.31; 95% CI 0.10-0.89, p = 0.01 and HR 0.20; 95% CI 0.07-0.56, p = 0.002, respectively). Conclusions: Subintimal angioplasty is a safe and effective revascularization technique for the treatment of CTOs of the femoropopliteal artery. Provisional stenting may have a role at the subintimal entry or true lumen re-entry site.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Use of shape-preserving interpolation methods in surface modeling

In many large-scale scientific computations, it is necessary to use surface models based on information provided at only a finite number of points (rather than determined everywhere via an analytic formula). As an example, an equation of state (EOS) table may provide values of pressure as a function of temperature and density for a particular material. These values, while known quite accurately, are typically known only on a rectangular (but generally quite nonuniform) mesh in (T,d)-space. Thus interpolation methods are necessary to completely determine the EOS surface. The most primitive EOS interpolation scheme is bilinear interpolation. This has the advantages of depending only on local information, so that changes in data remote from a mesh element have no effect on the surface over the element, and of preserving shape information, such as monotonicity. Most scientific calculations, however, require greater smoothness. Standard higher-order interpolation schemes, such as Coons patches or bicubic splines, while providing the requisite smoothness, tend to produce surfaces that are not physically reasonable. This means that the interpolant may have bumps or wiggles that are not supported by the data. The mathematical quantification of ideas such as physically reasonable and visually pleasing is examined.

Ftitsch, F. N.↗

Raman measurements of substrate temperature in a molecular beam epitaxy growth chamber

A method is described for directly measuring the temperature of a substrate in a molecular-beam epitaxy (MBE) growth system. The approach relies on the establishment of the temperature dependence of Raman-active phonons of the substrate material using independently known calibration points across the range of interest. An unknown temperature in this range is then determined based on the Raman peak position with the substrate in situ the MBE chamber. The apparatus relies on conventional optics and Raman components. Shifting and broadening of the Raman spectrum are described based on the effects of thermal expansion and anharmonic decay. The choice of reference temperature is discussed. The method is qualified by examining the substrate temperature dependence, relative to that of a standard thermocouple, during a commonly used ramp procedure. Both temperature difference and time lag are obtained.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Automating Risk Assessments of Hazardous Material Shipments for Transportation Routes and Mode Selection

The METEOR project at Idaho National Laboratory (INL) successfully addresses the difficult problem in risk assessment analyses of combining the results from bounding deterministic simulation results with probabilistic (Monte Carlo) risk assessment techniques. This paper describes a software suite designed to perform sensitivity and cost/benefit analyses on selected transportation routes and vehicles to minimize risk associated with the shipment of hazardous materials. METEOR uses Monte Carlo techniques to estimate the probability of an accidental release of a hazardous substance along a proposed transportation route. A METEOR user selects the mode of transportation, origin and destination points, and charts the route using interactive graphics. Inputs to METEOR (many selections built in) include crash rates for the specific aircraft, soil/rock type and population densities over the proposed route, and bounding limits for potential accident types (velocity, temperature, etc.). New vehicle, materials, and location data are added when available. If the risk estimates are unacceptable, the risks associated with alternate transportation modes or routes can be quickly evaluated and compared. Systematic optimizing methods will provide the user with the route and vehicle selection identified with the lowest risk of hazardous material release. The effects of a selected range of potential accidents such as vehicle impact, fire, fuel explosions, excessive containment pressure, flooding, etc. are evaluated primarily using hydrocodes capable of accurately simulating the material response of critical containment components. Bounding conditions that represent credible accidents (i.e; for an impact event, velocity, orientations, and soil conditions) are used as input parameters to the hydrocode models yielding correlation functions relating accident parameters to component damage. The Monte Carlo algorithms use random number generators to make selections at the various decision points such as; crash, location, etc. For each pass through the routines, when a crash is randomly selected, crash parameters are then used to determine if failure has occurred using either external look up tables, correlations functions from deterministic calculations, or built in data libraries. The effectiveness of the software was recently demonstrated in safety analyses of the transportation of radioisotope systems for the US Dept. of Energy. These methods are readily adaptable to estimating risks associated with a variety of hazardous shipments such as spent nuclear fuel, explosives, and chemicals.

42 ENGINEERING↗

Remote Recession Measurements of Wire-Seeded PICA Samples in an Arc-Jet Flow

Various methods for remote recession sensing of PICA have been developed and several seeding methods have been tested. The most recent method involved seeding the ablator with wires fed to the sample from the backside with a defined amount of PICA left towards the upstream front of the sample. This seed method mimics the installation of in-depth thermocouples as they are frequently used in ground testing and flight. Arc-jet tests were conducted in the NASA Langley HYMETS facility at a heat flux of 320 W/sq.cm. The emission of the post-shock layer was observed in spectral resolution from the side along an optical axis perpendicular to the arc-jet flow and from the front, looking at the sample surface from an upstream position. Various metallic seed materials with different melting points were used. In addition to the emission spectroscopy measurements, the samples were monitored during the tests through pyrometry and videography. The time resolved response of the seeded material is described and compared to earlier tests with different seeding methods. The combination of seed materials was found to be critical for the selection of emission signatures characteristic for the material recession which can be isolated in the final emission spectra.

Winter, Michael↗

Quantum Mechanical Modeling of the Vibrational Spectra of Minerals with a Focus on Clays

We present an overview of how to use quantum mechanical calculations to predict vibrational frequencies of molecules and materials such as clays and silicates. Other methods of estimating vibrational frequencies are mentioned, such as classical molecular dynamics simulations; references are given for additional information on these approaches. Herein, we discuss basic vibrational theory, calculating Raman and infrared intensities, steps for creating realistic models, and applications to spectroscopy, thermodynamics, and isotopic fractionation. There are a wide variety of programs and methods that can be employed to model vibrational spectra, but this work focuses on hybrid density functional theory (DFT) approaches. Many of the principles are the same when used in other programs and DFT methods, so a novice can benefit from simple examples that illustrate key points to consider when modeling vibrational spectra. Other methods and programs are listed to give the beginner a starting point for exploring and choosing which approach will be best for a given problem. The modeler should also be aware of the numerous analytical methods available for obtaining information on vibrations of atoms in molecules and materials. In addition to traditional infrared and Raman spectroscopy, sum-frequency generation (SFG) and inelastic neutron scattering (INS) are also excellent techniques for obtaining vibrational frequency information in certain circumstances.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Describing Point Defect Topology in 2D Energy Materials Through Computer Vision

Point defects such as vacancies and impurity atoms strongly impact the performance of 2D materials. Traditional efforts often rely on manual detection, a process that is time-intensive, prone to human error, and challenging to scale. Here we leverage machine learning (ML) methods to identify and quantify vacancies within 2D transition metal carbides (Ti3C2, MXenes), aiming to expedite detection while improving accuracy. MXenes exhibit valuable defect-defined electrochemical properties, but we currently lack statistical understanding of defect topology needed to fully harness these materials. Here we employ a convolutional neural network for semantic segmentation of experimental MXene images, opening an opportunity to conduct a rigorous statistical study on defect hierarchy while investigating local relaxation in the lattice. We show how the integration of ML can yield fundamental insight into point defects, providing a powerful tool that will play an increasingly crucial role in the future of materials science. ML is often not just a matter of straightforward application, and pretrained models proved ineffective in this case. Instead, we trained our own neural network (NN) and applied data augmentation techniques and fine-tuning to the training dataset. Since labeled microscopy data is often scarce, we developed training data from a previously published wide-frame MXene image, using customized Gaussian fitting to locate atomic positions. Our trained model was then applied to a large dataset of experimental images, enabling a statistical study of defect configurations across three samples prepared with different HF etchant concentrations (5%, 9.1%, and 12.5%), as shown in Fig. 1. This also allowed us to investigate local strain around vacancies, though we find that we are limited by the precision of measurements using high-angle annular dark field (HAADF) images, as shown in Fig. 2. This study demonstrates how ML enables large-scale, quantitative analysis of atomic defects - an otherwise infeasible task with traditional methods. While our NN was specialized for Ti3C2 MXenes, the pipeline we developed provides a foundation for future ML models tailored to other materials. Ultimately, we envision embedding the NN onto the microscope to give real-time feedback to the user. To make this a reality, continued work is necessary to fully understand the NN's capabilities and limitations. This study gets one step closer to our goals of automated experimentation moving away from traditional methods of manual labeling. As ML capabilities advance, we hope to continue adapting and applying these techniques in microscopy.

2D materials↗

Atomistic Simulation of Slow Grain Boundary Motion

Existing atomistic simulation techniques to study grain boundary motion are usually limited to either high velocities or temperatures and are difficult to compare to realistic experimental conditions. Here we introduce an adapted simulation method that can access boundary velocities in the experimental range and extract mobilities in the zero driving force limit at temperatures as low as {approx}0.2T{sub m} (T{sub m} is the melting point). The method reveals three mechanistic regimes of boundary mobility at zero net velocity depending on the system temperature.

36 MATERIALS SCIENCE↗

A probabilistic inverse prediction method for predicting plutonium processing conditions

In the past decade, nuclear chemists and physicists have been conducting studies to investigate the signatures associated with the production of special nuclear material (SNM). In particular, these studies aim to determine how various processing parameters impact the physical, chemical, and morphological properties of the resulting special nuclear material. By better understanding how these properties relate to the processing parameters, scientists can better contribute to nuclear forensics investigations by quantifying their results and ultimately shortening the forensic timeline. This paper aims to statistically analyze and quantify the relationships that exist between the processing conditions used in these experiments and the various properties of the nuclear end-product by invoking inverse methods. In particular, these methods make use of Bayesian Adaptive Spline Surface models in conjunction with Bayesian model calibration techniques to probabilistically determine processing conditions as an inverse function of morphological characteristics. Not only does the model presented in this paper allow for providing point estimates of a sample of special nuclear material, but it also incorporates uncertainty into these predictions. This model proves sufficient for predicting processing conditions within a standard deviation of the observed processing conditions, on average, provides a solid foundation for future work in predicting processing conditions of particles of special nuclear material using only their observed morphological characteristics, and is generalizable to the field of chemometrics for applicability across different materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Partial transient liquid phase diffusion bonding of Zircaloy-4 to stabilized austenitic stainless steel 321

An innovative method was applied for bonding Zircaloy-4 to stabilized austenitic stainless steel 321 using an active titanium interlayer. Specimens were joined by a partial transient liquid phase diffusion bonding method in a vacuum furnace at different temperatures under 1 MPa dynamic pressure of contact. The influence of different bonding temperatures on the microstructure, microindentation hardness, joint strength and interlayer thickness has been studied. The diffusion of Fe, Cr, Ni and Zr has been investigated by scanning electron microscopy and energy dispersive spectroscopy elemental analyses. Results showed that control of the heating and cooling rate and 20 min soaking at 1223 K produces a perfect joint. However, solid-state diffusion of the melting point depressant elements into the joint metal causes the solid/liquid interface to advance until the joint is solidified. The tensile strength of all the bonded specimens was found around 480-670 MPa. Energy dispersive spectroscopy studies indicated that the melting occurred along the interface of the bonded specimens as a result of the transfer of atoms between the interlayer and the matrix during bonding. This technique provides a reliable method of bonding zirconium alloy to stainless steel.

36 MATERIALS SCIENCE↗

CBP PHASE I CODE INTEGRATION

The goal of the Cementitious Barriers Partnership (CBP) is to develop a reasonable and credible set of software tools to predict the structural, hydraulic, and chemical performance of cement barriers used in nuclear applications over extended time frames (greater than 100 years for operating facilities and greater than 1000 years for waste management). The simulation tools will be used to evaluate and predict the behavior of cementitious barriers used in near surface engineered waste disposal systems including waste forms, containment structures, entombments, and environmental remediation. These cementitious materials are exposed to dynamic environmental conditions that cause changes in material properties via (i) aging, (ii) chloride attack, (iii) sulfate attack, (iv) carbonation, (v) oxidation, and (vi) primary constituent leaching. A set of state-of-the-art software tools has been selected as a starting point to capture these important aging and degradation phenomena. Integration of existing software developed by the CBP partner organizations was determined to be the quickest method of meeting the CBP goal of providing a computational tool that improves the prediction of the long-term behavior of cementitious materials. These partner codes were selected based on their maturity and ability to address the problems outlined above. The GoldSim Monte Carlo simulation program (GTG 2010a, GTG 2010b) was chosen as the code integration platform (Brown & Flach 2009b). GoldSim (current Version 10.5) is a Windows based graphical object-oriented computer program that provides a flexible environment for model development (Brown & Flach 2009b). The linking of GoldSim to external codes has previously been successfully demonstrated (Eary 2007, Mattie et al. 2007). GoldSim is capable of performing deterministic and probabilistic simulations and of modeling radioactive decay and constituent transport. As part of the CBP project, a general Dynamic Link Library (DLL) interface was developed to link GoldSim with external codes (Smith III et al. 2010). The DLL uses a list of code inputs provided by GoldSim to create an input file for the external application, runs the external code, and returns a list of outputs (read from files created by the external application) back to GoldSim. In this way GoldSim provides: (1) a unified user interface to the applications, (2) the capability of coupling selected codes in a synergistic manner, and (3) the capability of performing probabilistic uncertainty analysis with the codes. GoldSim is made available by the GoldSim Technology Group as a free 'Player' version that allows running but not editing GoldSim models. The player version makes the software readily available to a wider community of users that would wish to use the CBP application but do not have a license for GoldSim.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Statistical Attitude Determination

All spacecraft require attitude determination at some level of accuracy. This can be a very coarse requirement of tens of degrees, in order to point solar arrays at the sun, or a very fine requirement in the milliarcsecond range, as required by Hubble Space Telescope. A toolbox of attitude determination methods, applicable across this wide range, has been developed over the years. There have been many advances in the thirty years since the publication of Reference, but the fundamentals remain the same. One significant change is that onboard attitude determination has largely superseded ground-based attitude determination, due to the greatly increased power of onboard computers. The availability of relatively inexpensive radiation-hardened microprocessors has led to the development of "smart" sensors, with autonomous star trackers being the first spacecraft application. Another new development is attitude determination using interferometry of radio signals from the Global Positioning System (GPS) constellation. This article reviews both the classic material and these newer developments at approximately the level of, with emphasis on. methods suitable for use onboard a spacecraft. We discuss both "single frame" methods that are based on measurements taken at a single point in time, and sequential methods that use information about spacecraft dynamics to combine the information from a time series of measurements.

Markley, F. Landis↗

High-Flow PMR-Polymide Composites Developed With Mechanical Properties Comparable to Other High-Temperature Systems

PMR polyimides, in particular PMR-15, are well known for their excellent high-temperature stability and performance, and solvent resistance. However, the processing of these materials is limited, for the most part, to prepreg-based methods, such as compression or autoclave processing. These methods involve substantial amounts of hand labor, and as a result, manufacturing costs for components made from PMR polyimides can be high. In cost-sensitive applications, these high manufacturing costs can make the use of PMR polyimide-based components cost prohibitive. Lower cost manufacturing methods, such as resin transfer molding (RTM) and resin film infusion, have been demonstrated to reduce manufacturing costs by as much as 50 percent over prepreg-based methods. However, these processes are only amenable to materials with melt viscosities below 30 poise. Most PMR polyimides have melt viscosities on the order of 100 poise or higher. Recent efforts at the NASA Glenn Research Center have focused on chemical modifications to PMR polyimides to reduce their melt viscosity to the point where they could be processed by these low-cost manufacturing methods without adversely affecting their high-temperature properties and performance. These efforts have led to a new family of PMR polyimides that have melt viscosities significantly lower than that of PMR-15. Reductions in melt viscosity are brought about through the introduction of molecular twists in the polymer backbone. Carbon fiber (T650- 35) composites were prepared from one of these polyimides, designated PMR-Flex, by compression molding. The properties of these composites are presented below and compared with comparable composites made from PMR-15 and PETI-RTM, a new low-melt-viscosity polyimide.

Meador, Michael A.↗

Shear Strength and Release of Large Cryogenic Pellets from the Barrel of a Shattered Pellet Injector for Disruption Mitigation

Shattered pellet injection (SPI) has been chosen as the baseline disruption mitigation system on ITER due to its ability to rapidly inject material deep into the plasma to greatly increase the plasma density and radiate the thermal energy. SPI utilizes a mechanical punch or high-pressure gas to release and accelerate a pellet that has been cryogenically desublimated in the barrel of a pipe gun. Various material injection combinations could possibly be implemented during different phases of a disruption event to radiate plasma energy, reduce electromagnetic loads on machine components, avoid the formation of runaway electrons, or to dissipate runaway electrons that form. Each injection phase could possibly utilize combinations of deuterium, neon, or argon. In this paper we outline experimental measurements of pellet material shear strength at SPI operating temperatures to understand the force needed to release SPI pellets. Deuterium, neon, argon, and deuterium-neon mixture pellets with diameters of 8.5, 12.5, and 15.7 mm are formed at a range of relevant gas pressures and temperatures and dislodged from the cold zone with a slow-moving piston driven by a motor. The slow-moving piston is kept above the triple point temperature of the material while the pellet is forming, then cooled to below the triple point temperature before contacting the pellet to minimize any thermal conduction to the pellet. The piston incorporates a load cell to measure the force applied when the pellet breaks away from the cold zone in the barrel.The ability of the gas and punch methods to exceed the shear strength of the studied pellet materials for release has been analyzed. High pressure gas delivered by fast opening valves produce pressure shock to the pellet due to supersonic expansion of the propellant gas. Pressure (and therefore, force) oscillations are present due to transverse density propagation throughout the breech volume. Mechanical punches deliver an impact force through a high-kinetic energy impact. The effect of the mechanical shock on the pellet has been explored and will be presented in this paper. Scaling to larger ITER size SPI pellets will be described.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗