Publications

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Large, pulsed power and high voltage systems often employ a stack of insulators to separate a vacuum section away from water or oil sections. The size of this insulator stack often drives overall costs and feasibility of these systems. An electric breakdown along the insulator surface is a primary failure mechanism and is especially impactful if it occurs while power is still being delivered downstream. This report describes a set of experimental and modeling investigations into the cause of these breakdowns, especially focusing on the much less well-understood anode-initiated breakdowns that occur during early parts of power delivery. Additionally, new diagnostics for assessing relevant material properties and behavior of insulators are described. These results describe breakdown behavior and evolution at new temporal and spatial fidelities and provide hypotheses and some answers as to how these breakdowns can occur. This new understanding of the roles of different physics phenomena guide modifications and trade-offs in generating newer insulator stack designs that are smaller and/or have higher electrical stress thresholds.

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This presentation describes a new effort to better understand insulator flashover in high current, high voltage pulsed power systems. Both experimental and modeling investigations are described. Particular emphasis is put upon understand flashover that initiate in the anode triple junction (anode-vacuum-dielectric).

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This report describes the high-level accomplishments from the Plasma Science and Engineering Grand Challenge LDRD at Sandia National Laboratories. The Laboratory has a need to demonstrate predictive capabilities to model plasma phenomena in order to rapidly accelerate engineering development in several mission areas. The purpose of this Grand Challenge LDRD was to advance the fundamental models, methods, and algorithms along with supporting electrode science foundation to enable a revolutionary shift towards predictive plasma engineering design principles. This project integrated the SNL knowledge base in computer science, plasma physics, materials science, applied mathematics, and relevant application engineering to establish new cross-laboratory collaborations on these topics. As an initial exemplar, this project focused efforts on improving multi-scale modeling capabilities that are utilized to predict the electrical power delivery on large-scale pulsed power accelerators. Specifically, this LDRD was structured into three primary research thrusts that, when integrated, enable complex simulations of these devices: (1) the exploration of multi-scale models describing the desorption of contaminants from pulsed power electrodes, (2) the development of improved algorithms and code technologies to treat the multi-physics phenomena required to predict device performance, and (3) the creation of a rigorous verification and validation infrastructure to evaluate the codes and models across a range of challenge problems. These components were integrated into initial demonstrations of the largest simulations of multi-level vacuum power flow completed to-date, executed on the leading HPC computing machines available in the NNSA complex today. These preliminary studies indicate relevant pulsed power engineering design simulations can now be completed in (of order) several days, a significant improvement over pre-LDRD levels of performance.

Severe acute respiratory syndrome coronavirus 2 (SARS-COV-2) can be spread through close contact or through fomite mediated transmission. This study details the fabrication and analysis of a photocatalyst surface which can rapidly inactivate SARS-COV-2 to limit spread of the virus by fomite mediated transmission. The surface being developed at Sandia for this purpose is a minimally hazardous Ag-Ti0 ₂ nanomaterial which is engineered to have high photocatalytic activity. Initial results at Sandia California in a BSL-2 safe surrogate virus- Vesicular Stomatitis Virus (VSV) show a significant difference between the photocatalyst material under exposure to visible light than controls. Additionally, UV-A light (365 nm) was found to eliminate SARS-COV-2 after 9 hours on all tested surfaces with irradiance of 15 mW/cm ² equivalent to direct circumsolar irradiance.

We show here that Sandia's ALEGRA software can be used to model a permanent magnet in 2D and 3D, with accuracy matching that of the open-source commercial software FEMM. This is done by conducting simulations and experimental measurements for a commercial-grade N42 neodymium alloy ring magnet with a measured magnetic field strength of approximately 0.4 T in its immediate vicinity. Transient simulations using ALEGRA and static simulations using FEMM are conducted. Comparisons are made between simulations and measurements, and amongst the simulations, for sample locations in the steady-state magnetic field. The comparisons show that all models capture the data to within 7%. The FEMM and ALEGRA results agree to within approximately 2%. The most accurate solutions in ALEGRA are obtained using quadrilateral or hexahedral elements. In the case where iron shielding disks are included in the magnetized space, ALEGRA simulations are considerably more expensive because of the increased magnetic diffusion time, but FEMM and ALEGRA results are still in agreement. The magnetic field data are portable to other software interfaces using the Exodus file format.

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Next generation pulsed power (NGPP) machines and accelerators require a better understanding of the materials used within the vacuum vessels to achieve lower base pressures (P << 10-5 Torr) and reduce the overall contaminant inventory while incorporating various dielectric materials which tend to be unfavorable for ultra-high vacuum (UHV) applications. By improving the baseline vacuum, it may be possible to delay the onset of impedance collapse, reduce current loss on multi-mega Amp devices, or improve the lifetime of thermionic cathodes, etc [3]. In this study, we examine the vacuum outgassing rate of Rexolite® (cross-linked polystyrene) and Kel-F® (polychlorotrifluoroethylene) as candidate materials for vacuum insulators [1]. These values are then incorporated into boundary conditions for molecular flow simulations using COMSOL Multiphysics® and used to predict the performance of a prototypical pulsed power system designed for 10-8 Torr operations.

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Sintering of nanoparticles is an important contributor to loss of activity in heterogeneous catalysts, such as those used for controlling harmful emissions from automobiles. But mechanistic details, such as the rates of atom emission or the nature of the mobile species, remain poorly understood. Herein we report a novel approach that allows direct measurement of atom emission from nanoparticles. We use model catalyst samples and a novel reactor that allows the same region of the sample to be observed after short-term heat treatments (seconds) under conditions relevant to diesel oxidation catalysts (DOCs). Monometallic Pd is very stable and does not sinter when heated in air (T ≤ 800°C). Pt sinters readily in air, and at high temperatures (≥800°C) mobile Pt species emitted to the vapor phase cause the formation of large, faceted particles. In Pt-Pd nanoparticles, Pd slows the rate of emission of atoms to the vapor phase due to the formation of an alloy. However, the role of Pd in Pt DOCs in air is quite complex: at low temperatures, Pt enhances the rate of Pd sintering (which otherwise would be stable as an oxide), while at higher temperature Pd helps to slow the rate of Pt sintering. DFT calculations show that the barrier for atom emission to the vapor phase is much greater than the barrier for emitting atoms to the support. Hence, vapor-phase transport becomes significant only at high temperatures while diffusion of adatoms on the support dominates at lower temperatures.

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We describe a correlation between electrical resistivity and grain size for PVD synthesized polycrystalline oxide-hardened metal-matrix thin films in oxide-dilute (<5 vol. % oxide phase) compositions. The correlation is based on the Mayadas-Shatzkes (M-S) electron scattering model, predictive of grain size evolution as a function of composition in the oxide-dilute regime for 2 μm thick Au-ZnO films. We describe a technique to investigate grain boundary (GB) mobility and the thermal stability of GBs based on in situelectrical resistivity measurements during annealing experiments, interpreted using a combination of the M-S model and the Michels et al. model describing solute drag stabilized grain growth kinetics. Using this technique, activation energy and pre-exponential Arrhenius parameter values of E_a = 21.6 kJ/mol and A_o = 2.3 × 10^-17 m²/s for Au-1 vol. % ZnO and E_a =12.7 kJ/mol and A_o = 3.1 × 10^-18 m²/s for Au-2 vol.% ZnO were determined. In the oxide-dilute regime, the grain size reduction of the Au matrix yielded a maximum hardness of 2.6 GPa for 5 vol. % ZnO. A combined model including percolation behavior and grain refinement is presented that accurately describes the composition dependent change in electrical resistivity throughout the entire composition range for Au-ZnO thin films. As a result, the proposed correlations are supported by microstructural characterization using transmission electron microscopy and electron diffraction mapping for grain size determination.

The mechanical properties, thermal stability, and electrical performance of Au–ZnO composite thin films are determined in this work. The co-deposition of ZnO with Au via physical vapor deposition leads to grain refinement over that of pure Au; the addition of 0.1 vol.% ZnO reduces the as-grown grain size by over 30%. The hardness of the as-grown films doubles with 2% ZnO, from 1.8 to 3.6 GPa as measured by nanoindentation. Films with ZnO additions greater than 0.5% show no significant grain growth after annealing at 350 °C, while pure gold and smaller additions do exhibit grain growth and subsequent mechanical softening. Films with 1% and 2% ZnO show a decrease of approximately 50% in electrical resistivity and no change in hardness after annealing. A model accounting for both changes in the interface structure between dispersed ZnO particles and the Au matrix captures the changes in mechanical and electrical resistivity. Furthermore, the addition of 1–2% ZnO co-deposited with Au provides a method to create mechanically hard and thermally stable films with a resistivity less than 80 nΩ-m. Our results complement previous studies of other alloying systems, suggesting oxide dispersion strengthened (ODS) gold shows a desirable hardness–resistivity relationship that is relatively independent of the particular ODS chemistry.

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Sandia has developed an optical design for wearable binoculars utilizing freeform surfaces and switchable mirrors. The goals of the effort included a design lightweight enough to be worn by the user while providing a useful field of view and magnification as well as non-mechanical switching between normal and zoomed vision. Sandia's approach is a four mirror, off-axis system taking advantage of the weight savings and chromatic performance of a reflective system. The system incorporates an electrochromic mirror on the final surface before the eye allowing the user to switch between viewing modes. Results from a prototype of a monocular version with 6.6x magnification will be presented. The individual mirrors, including three off-axis aspheres and one true freeform, were fabricated using a diamond-turning based process. A slow-slide servo process was used for the freeform element. Surface roughness and form measurement of the freeform mirror will be presented as well as the expected impact on performance. The alignment and assembly procedure will be reviewed as well as the measured optical performance of the prototype. In parallel to the optical design work, development of an electrochromic mirror has provided a working device with faster switching than current state of the art. Switchable absorbers have been demonstrated with switching times less than 0.5 seconds. The deposition process and characterization of these devices will be presented. Finally, details of an updated optical design with additional freeform surfaces will be presented as well as plans for integrating the electrochromic mirror into the system. © 2013 SPIE.

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A 100X magnification, ±3° field of view micro-concentrating optical array has been developed with better than 90% transmission for a microsystems-enabled photovoltaic (MEPV) prototype module using 250 μm diameter multi-junction "stacked" PV cells. Renewable Energy and the Environment Congress. © 2013.

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Proton exchange membrane fuel cells are being extensively studied as power sources because of their technological advantages such as high energy efficiency and environmental friendliness. The most effective catalyst in these systems consists of nanoparticles of Pt or Pt-based alloys on carbon supports. Understanding the role of the nanoparticle size and structure on the catalytic activity and degradation is needed to optimize the fuel cell performance and reduce the noble metal loading. One of the more significant causes of fuel cell performance degradation is the cathode catalyst deactivation. There are four mechanisms considered relevant to the loss of electrochemically active surface area of Pt in the fuel cell electrodes that contribute to cathode catalyst degradation including: catalyst particle sintering such as Ostwald ripening, migration and coalescence, carbon corrosion and catalyst dissolution. Most approaches to study this catalyst degradation utilize membrane electrode assemblies (MEAs), which results in a complex system where it is difficult to deconvolute the effects of the metal nanoparticles. Our research addresses catalyst degradation by taking a fundamental approach to study electrocatalyst using model supports. Nanostructured particle arrays are engineered directly onto planar glassy carbon electrodes. These model electrocatalyst structures are applied to electrochemical activity measurements using a rotating disk electrode and surface characterization by scanning electron microscopy. Sample transfer between these measurement techniques enables examination of the same catalyst area before and after electrochemical cycling. This is useful to probe relationships between electrochemical activity and catalyst structure such as particle size and spacing. These model systems are applied to accelerated aging studies of activity degradation. We will present our work demonstrating the mechanistic aspects of catalyst degradation using this simplified geometric system. The active surface area loss observed in repeated cyclic voltammetry is explained through characterization and imaging of the same RDE electrode structures throughout the aging process.

The mechanisms governing D loss in ErD2 films with and without a Mo diffusion barrier on kovar substrates were studied between 200 and 600 °C via in-situ Ion Beam Analysis (IBA). Significant intermixing between kovar and Er was observed above 450°C and between kovar and ErD2 above 500 °C. The D loss mechanism in ErD2 films was found to change from intermixing between kovar and ErD2 at low temperatures (< 500 °C) to thermal decomposition at higher temperatures (> 500 °C). Diffusion between kovar and ErD2 was measured isothermally at 500 and 550 °C. An activation energy of 2.1 eV and a pre-exponential factor of 0.071 cm2/s were determined. Diffusion between the kovar components and ErD2 film was inhibited by depositing a 200 nm Mo diffusion barrier between the kovar substrate and the ErD2 film. The processing of the Mo diffusion barrier was shown to impact its performance. Intermixing between the kovar / Mo / ErD2 stack becomes significant between 500 and 550 °C with a sputter deposited Mo diffusion barrier and between 550 and 600 °C for an electron-beam evaporated Mo diffusion barrier. Copyright © 2009 ASM International® All rights reserved.

The mechanisms governing D loss in ErD2 films with and without a Mo diffusion barrier on kovar substrates were studied between 200 and 600 °C via in-situ Ion Beam Analysis (IBA). Significant intermixing between kovar and Er was observed above 450°C and between kovar and ErD2 above 500 °C. The D loss mechanism in ErD2 films was found to change from intermixing between kovar and ErD2 at low temperatures (< 500 °C) to thermal decomposition at higher temperatures (> 500 °C). Diffusion between kovar and ErD2 was measured isothermally at 500 and 550 °C. An activation energy of 2.1 eV and a pre-exponential factor of 0.071 cm2/s were determined. Diffusion between the kovar components and ErD2 film was inhibited by depositing a 200 nm Mo diffusion barrier between the kovar substrate and the ErD2 film. The processing of the Mo diffusion barrier was shown to impact its performance. Intermixing between the kovar / Mo / ErD2 stack becomes significant between 500 and 550 °C with a sputter deposited Mo diffusion barrier and between 550 and 600 °C for an electron-beam evaporated Mo diffusion barrier. Copyright © 2009 ASM International® All rights reserved.

{sm_bullet}Mixing from some thermal process steps thought to drive H,D,T loss - This does not appear to be a problem with the Mo/Er occluder stacks {sm_bullet}Diffusion barriers investigated to prevent mixing

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Friction and wear are major concerns in the performance and reliability of micromechanical (MEMS) devices. While a variety of lubricant and wear resistant coatings are known which we might consider for application to MEMS devices, the severe geometric constraints of many micromechanical systems (high aspect ratios, shadowed surfaces) make most deposition methods for friction and wear-resistance coatings impossible. In this program we have produced and evaluate highly conformal, tribological coatings, deposited by atomic layer deposition (ALD), for use on surface micromachined (SMM) and LIGA structures. ALD is a chemical vapor deposition process using sequential exposure of reagents and self-limiting surface chemistry, saturating at a maximum of one monolayer per exposure cycle. The self-limiting chemistry results in conformal coating of high aspect ratio structures, with monolayer precision. ALD of a wide variety of materials is possible, but there have been no studies of structural, mechanical, and tribological properties of these films. We have developed processes for depositing thin (<100 nm) conformal coatings of selected hard and lubricious films (Al2O3, ZnO, WS2, W, and W/Al{sub 2}O{sub 3} nanolaminates), and measured their chemical, physical, mechanical and tribological properties. A significant challenge in this program was to develop instrumentation and quantitative test procedures, which did not exist, for friction, wear, film/substrate adhesion, elastic properties, stress, etc., of extremely thin films and nanolaminates. New scanning probe and nanoindentation techniques have been employed along with detailed mechanics-based models to evaluate these properties at small loads characteristic of microsystem operation. We emphasize deposition processes and fundamental properties of ALD materials, however we have also evaluated applications and film performance for model SMM and LIGA devices.

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