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Sandia Academic Alliance Program Collaboration Report: 2020-2021 Accomplishments

Peebles, Diane E.; Horton, Rebecca D.; Claudet, Andre C.; Miner, Nadine E.; Patel, Kamlesh P.; Windsor, Matthew W.; Stites, Mallory C.; Treece, Amy T.

University partnerships play an essential role in sustaining Sandia’s vitality as a national laboratory. The SAA is an element of Sandia’s broader University Partnerships program, which facilitates recruiting and research collaborations with dozens of universities annually. The SAA program has two three-year goals. SAA aims to realize a step increase in hiring results, by growing the total annual inexperienced hires from each out-of-state SAA university. SAA also strives to establish and sustain strategic research partnerships by establishing several federally sponsored collaborations and multi-institutional consortiums in science & technology (S&T) priorities such as autonomy, advanced computing, hypersonics, quantum information science, and data science. The SAA program facilitates access to talent, ideas, and Research & Development facilities through strong university partnerships. Earlier this year, the SAA program and campus executives hosted John Myers, Sandia’s former Senior Director of Human Resources (HR) and Communications, and senior-level staff at Georgia Tech, U of Illinois, Purdue, UNM, and UT Austin. These campus visits provided an opportunity to share the history of the partnerships from the university leadership, tours of research facilities, and discussions of ongoing technical work and potential recruiting opportunities. These visits also provided valuable feedback to HR management that will help Sandia realize a step increase in hiring from SAA schools. The 2020-2021 Collaboration Report is a compilation of accomplishments in 2020 and 2021 from SAA and Sandia’s valued SAA university partners.

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Sandia Labs Academic Alliance 2019 Collaboration Report

Cook, Benjamin K.; Peebles, Diane E.; Horton, Rebecca D.; Corbet, Thomas F.; Minster, David G.; Patel, Kamlesh P.; Treece, Amy T.

Sandia's Academic Alliance (SAA) program takes a deliberate approach to building partnerships with universities that combine strengths in key academic disciplines, contain sizable portfolios of relevant research capabilities, and demonstrate a strong institutional commitment to national security. The SAA Program aims to solve significant problems that Sandia could not address alone, sustain and enrich Sandia's talent pipeline, and accelerate the commercialization and adoption of new technologies.

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The 2018 Nonlinear Mechanics and Dynamics Research Institute

Kuether, Robert J.; Allensworth, Brooke M.; Smith, J.A.; Peebles, Diane E.

The 2018 Nonlinear Mechanics and Dynamics (NOMAD) Research Institute was successfully held from June 18 to August 2, 2018. NOMAD brings together participants with diverse technical backgrounds to work in small teams to cultivate new ideas and approaches in engineering mechanics and dynamics research. NOMAD provides an opportunity for researchers -- especially early career researchers - to develop lasting collaborations that go beyond what can be established from the limited interactions at their institutions or at annual conferences. A total of 17 students came to Albuquerque, New Mexico to participate in the seven-week long program held at the Mechanical Engineering building on the University of New Mexico campus. The students collaborated on one of six research projects that were developed by various mentors from Sandia National Laboratories, University of New Mexico, and academic institutions. In addition to the research activities, the students attended weekly technical seminars, various tours, and socialized at various off-hour events including an Albuquerque Isotopes baseball game. At the end of the summer, the students gave a final technical presentation on their research findings. Many of the research discoveries made at NOMAD are published as proceedings at technical conferences and have direct alignment with the critical mission work performed at Sandia.

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The 2017 Nonlinear Mechanics and Dynamics Research Institute

Kuether, Robert J.; Allensworth, Brooke M.; Peebles, Diane E.

The 2017 Nonlinear Mechanics and Dynamics (NOMAD) Research Institute was successfully held from June 19 to July 28, 2017. NOMAD seeks to bring together participants with diverse technical backgrounds to work in small teams to utilize an interactive approach to cultivate new ideas and approaches in engineering . NOMAD provides an opportunity for researchers - especially early career researchers - to develop lasting collaborations that go beyond what can be established from the limited interactions at their institutions or at annual conferences. A total of 17 students from around the world came to Albuquerque, New Mexico to participate in the six - week long program held at the University of New Mexico campus. The students collaborated on one of six research projects that were developed by various mentors from Sandia National Laboratories, academia, and other government laboratories. In addition to the research activities, the students attended weekly technical seminars, toured the National Museum of Nuclear Science & History, and socialized at various off - hour events including an Albuquerque Isotopes baseball game. At the end of the summer, the students gave a final technical presentation o n their research findings that was broadcast via Skype. Many of the research discoveries made at NOMAD are published as proceedings at technical conference s and have direct alignment with the critical mission work performed at Sandia.

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The 2014 Sandia Nonlinear Mechanics and Dynamics Summer Research Institute

Brake, Matthew R.; Reuss, Pascal; Schwingshackl, Christoph W.; Salles, Loic; Negus, Michaela N.; Peebles, Diane E.; Mayes, R.L.; Bilbao-Ludena, Juan-Carlos; Bonney, Matthew S.; Catalfamo, Simone; Gastaldi, Chiara; Gross, Johann; Lacayo, Robert M.; Robertson, Brett A.; Smith, Scott; Swacek, Christian; Tiedemann, Merten

A collaborative research institute was organized and held at Sandia Albuquerque for a period of six weeks. This research institute brought together researchers from around the world to work collaboratively on a set of research projects. These research projects included: developing experimental guidelines for studying variability and repeatability of nonlinear structures; decoupling aleatoric and epistemic uncertainty in measurements to improve dynamic predictions; a numerical round robin to assess the performance of five different numerical codes for modeling systems with strong nonlinearities; and an assessment of experimentally derived and numerically derived reduced order models. In addition to the technical collaborations, the institute also included a series of seminars given by both Sandians and external experts, as well as a series of tours and field trips to local places of scientific and engineering importance. This report details both the technical research and the programmatic organization of the 2014 Sandia Nonlinear Mechanics and Dynamics Summer Research Institute.

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Phonon engineering for nanostructures

Friedmann, Thomas A.; Piekos, Edward S.; Sullivan, J.P.; Peebles, Diane E.

Understanding the physics of phonon transport at small length scales is increasingly important for basic research in nanoelectronics, optoelectronics, nanomechanics, and thermoelectrics. We conducted several studies to develop an understanding of phonon behavior in very small structures. This report describes the modeling, experimental, and fabrication activities used to explore phonon transport across and along material interfaces and through nanopatterned structures. Toward the understanding of phonon transport across interfaces, we computed the Kapitza conductance for {Sigma}29(001) and {Sigma}3(111) interfaces in silicon, fabricated the interfaces in single-crystal silicon substrates, and used picosecond laser pulses to image the thermal waves crossing the interfaces. Toward the understanding of phonon transport along interfaces, we designed and fabricated a unique differential test structure that can measure the proportion of specular to diffuse thermal phonon scattering from silicon surfaces. Phonon-scale simulation of the test ligaments, as well as continuum scale modeling of the complete experiment, confirmed its sensitivity to surface scattering. To further our understanding of phonon transport through nanostructures, we fabricated microscale-patterned structures in diamond thin films.

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Multivariate statistical analysis of time-of-flight secondary ion mass spectrometry images using AXSIA

Ohlhausen, J.A.; Keenan, Michael R.; Kotula, Paul G.; Peebles, Diane E.

Time-of-flight secondary ion mass spectrometry (TOF-SIMS) by its parallel nature, generates complex and very large datasets quickly and easily. An example of such a large dataset is a spectral image where a complete spectrum is collected for each pixel. Unfortunately, the large size of the data matrix involved makes it difficult to extract the chemical information from the data using traditional techniques. Because time constraints prevent an analysis of every peak, prior knowledge is used to select the most probable and significant peaks for evaluation. However, this approach may lead to a misinterpretation of the system under analysis. Ideally, the complete spectral image would be used to provide a comprehensive, unbiased materials characterization based on full spectral signatures. Automated eXpert spectral image analysis (AXSIA) software developed at Sandia National Laboratories implements a multivariate curve resolution technique that was originally developed for energy dispersive X-ray spectroscopy (EDS) [Microsci. Microanal. 9 (2003) 1]. This paper will demonstrate the application of the method to TOF-SIMS. AXSIA distills complex and very large spectral image datasets into a limited number of physically realizable and easily interpretable chemical components, including both spectra and concentrations. The number of components derived during the analysis represents the minimum number of components needed to completely describe the chemical information in the original dataset. Since full spectral signatures are used to determine each component, an enhanced signal-to-noise is realized. The efficient statistical aggregation of chemical information enables small and unexpected features to be automatically found without user intervention.

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Particle Defect Reduction in the Endura Titanium Nitride PVD Sputter System

Peebles, Diane E.

Particles are inevitably generated in physical vapor deposition (PVD) systems due to the delamination of deposited films on various process chamber parts and shielding. Non-collimated (blanket) and collimated PVD Titanium Nitride (TiN) deposition processes are used for metal ARC (anti-reflective coating) and underlayers, and for the "contact liner" deposition steps (TiN adhesion layers before plug formation). Probe yield analysis and SRAM bit failure analysis, using conventional failure analysis, have shown that particles at these process steps can have a significant impact on wafer yields. In many typical semiconductor wafer fabs, particles generated by TiN film deposition rank consistently at or near the top of the defect pareto. This paper summarizes the results of defect reduction experiments conducted on an Applied Materials Endura Physical Vapor Deposition (PVD) system and various off-line experiments examining film and adhesion characteristics. It includes the results of film adhesion and shield temperature control experiments aimed at reducing defect levels. Key fidings, particle reduction results, and recommended defect reduction measures are presented. The reduction in particles not only can improve yields, but also result in substantial cost savings through the extension of chamber kit end-of-life (EOL).

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Electrical Contact Performance Degradation in Electromechanical Components

Peebles, Diane E.

Detailed materials evaluations have been performed for MC2969 Intent Stronglink switch monitor circuit parts returned from the field out of retired weapon systems. Evaluations of local contact resistance, surface chemical composition and surface roughness and wear have been determined as a function of component level contact loop resistance testing position. Several degradation mechanisms have been identified and correlated with the component level measurements. Operational degradation produces surface smoothing and wear with each actuation of the monitor circuit, while aging degradation is observed in the segregation of contaminant species and alloy constituent elements to the surface in the stressed wear regions.

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A hardware review of electrical contact aging and performance in electromechanical stronglinks

Peebles, Diane E.

Contacts from the functional switch assembly have been examined for a series of MC2969 stronglinks varying from 9 to 14 years of age. Wear tracks are apparent on the contacts as a result of oxide removal by wiping action as the switch is exercised. Typical contaminants observed on the contacts include C, O, S, Cl, F and Si, all of which vary with position on the contacts. All of the contacts show segregation of Ag into the near-surface region. Measurement of the local contact resistance on the ends of the contacts provide resistance values that are reasonable for this material, but with variation among contacts as a result of changes in the local surface chemistry.

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Aging model for solid lubricants used in weapon stronglinks: Oxidation chemistry and hardware review

Peebles, Diane E.

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Kinetics of the wetting of tin on air-passivated copper in the absence of a fluxing agent

Peebles, Diane E.

A specially designed ultrahigh vacuum in situ surface analysis and wetting system has been constructed to study the spreading of liquid metal solders on carefully prepared and well-characterized solid substrates. Initial studies have been completed for the spreading of pure tin solder on copper substrates in the absence of any fluxing agent. Surface chemical analysis by x-ray photoelectron spectroscopy showed the air-exposed surface to consisted of about 3 nm of Cu{sub 2}O, while the as-received surface consisted of about 8 nm of Cu{sub 2}O. The sputter-cleaned surface contained less than one monolayer (0.3 nm) of Cu{sub 2}O. Sample surfaces were prepared and spreading experiments performed without intermediate exposure of the surfaces to contaminating atmospheres. Solder spreading was performed under 50 torr of highly purified helium gas to allow for adequate thermal coupling between the solder and the substrate. Spreading experiments utilizing a linear temperature ramp show that pure tin solder spreads readily on oxidized copper surfaces at elevated temperatures. The initiation temperature for rapid tin spreading on the as-received copper surface was 325{degrees}C, similar to the temperature where isothermal spreading changes activation energy or rate. Decreasing the thickness of the oxide on the surface lowered the observed temperature for the initiation of spreading and increased the rate of spreading. On the sputter-cleaned copper surface, rapid solder spreading was observed immediately upon melting of the solder.

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Correlations of the growth, structure and stress with the adhesion of diamond films on tungsten

Peebles, Diane E.

Diamond films were deposited on tungsten substrates by a filament-assisted chemical vapor deposition process as a function of seven different processing parameters. The effect of variations in measured film characteristics such as growth rate, texture, diamond-to-nondiamond carbon Raman band intensity ratio and strain on the adhesion between the diamond film/tungsten substrate pairs as measured by a tensile pull method were investigated. The measured adhesion values do not correlate with any of the measured film characteristics mentioned above. The problem arises because of the non-reproducibility of the adhesion test results, due to the non-uniformity of film thickness, surface preparation and structural homogeneity across the full area of the substrate.

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Surface chemistry of MoS{sub 2} lubricant films: 1, Effects of high humidity storage on sputtered films

Peebles, Diane E.

Many MoS{sub 2} lubricant film formulations exhibit tribological performance degradation after extended storage in high humidity ambient environments. As a part of an extensive study of the effects of high humidity storage on a wide variety of MoS{sub 2} lubricant film formulations, the effects of high humidity storage on sputtered MoS{sub 2} films have been examined. The surface chemistries of a series of ten different commercially deposited MoS{sub 2} lubricant film formulations on 440C stainless steel have been examined before and after 1 month of storage at 98% relative humidity. While the films varied greatly in film chemistry prior to high humidity storage, many smaller differences were observed after high humidity storage. Addition of Ni to the films affects the film chemistry far more dramatically than the addition of AuPd or SbO{sub x}, facilitating oxidation of the MoS{sub 2} and enhancing formation of sulfate species. All of the films are adequately characterized by considering only MoS{sub 2} and MoO{sub 3} species, with the exception of the films co-sputtered with Ni and ion implanted with N{sup +}, where some MoO{sub 2} or MoS{sub 2-x}O{sub x} must also be present.

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Adhesion Between CVD Diamond Films and Tungsten

Peebles, Diane E.

Adhesion between diamond films synthesized by a CVD method and tungsten has been investigated by a scratch and pull testing methods. Diamond films have been deposited at temperatures from 1173 to 1323 K with a growth rate ranging from 0.2 to 0.45 μm/hour. The films are highly crystalline and are dominated by (100) faces at low temperatures, changing to (111) at higher temperatures. Grain size and residual stress in the films increases with increasing deposition temperature. X-ray diffraction shows the expected diamond diffraction peaks plus peaks attributed to WC and W2C. Raman spectroscopy shows a sharp diamond band for all of the films, with a small broad peak, attributed to amorphous carbon. There is no distinct correlation between diamond/amorphous carbon intensity with deposition temperature. Scratch adhesion testing shows the expected failure mode for brittle coatings, but can not be quantified because of severe degradation of the diamond stylus tip. Sebastion pull testing shows that the failure mode of the films correlates with deposition temperature, but specific adhesion strength values do not. Efforts are continuing to correlate adhesion strength with deposition and structural parameters of the diamond films.

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24 Results
24 Results