Publications

Detectors that take full advantage of the energy confinement offered by surface waves could have significant performance advantages in dark current and optical functionality. We use a subwavelength patterned metal nanoantenna structure to convert incoming plane waves to these surface waves. © 2013 IEEE.

All polymers are intrinsically susceptible to oxidation, which is the underlying process for thermally driven materials degradation and of concern in various applications. There are many approaches for predicting oxidative polymer degradation. Aging studies usually are meant to accelerate oxidation chemistry for predictive purposes. Kinetic models attempt to describe reaction mechanisms and derive rate constants, whereas rapid qualification tests should provide confidence for extended performance during application, and similarly TGA tests are meant to provide rapid guidance for thermal degradation features. What are the underlying commonalities or diverging trends and complications when we approach thermo-oxidative aging of polymers in such different ways? This review presents a brief status report on the important aspects of polymer oxidation and focuses on the complexity of thermally accelerated polymer aging phenomena. Thermal aging and lifetime prediction, the importance of DLO, property correlations, kinetic models, TGA approaches, and a framework for predictive aging models are briefly discussed. An overall perspective is provided showing the challenges associated with our understanding of polymer oxidation as it relates to lifetime prediction requirements.

High-temperature geothermal exploration requires a wide array of tools and sensors to instrument drilling and monitor downhole conditions. There is a steep decline in component availability as the operating temperature increases, limiting tool availability and capability for both drilling and monitoring. Several applications exist where a small motor can provide a significant benefit to the overall operation. Applications such as clamping systems for seismic monitoring, televiewers, valve actuators, and directional drilling systems would be able to utilize a robust motor controller capable of operating in these harsh environments. The development of a high-temperature motor controller capable of operation at 225°C significantly increases the operating envelope for next generation high temperature tools and provides a useful component for designers to integrate into future downhole systems. High-temperature motor control has not been an area of development until recently as motors capable of operating in extreme temperature regimes are becoming commercially available. Currently the most common method of deploying a motor controller is to use a Dewared, or heat shielded tool with low-temperature electronics to control the motor. This approach limits the amount of time that controller tool can stay in the high-temperature environments and does not allow for long-term deployments. A Dewared approach is suitable for logging tools which spend limited time in the well however, a longer-term deployment like a seismic tool [Henfling 2010], which may be deployed for weeks or even months at a time, is not possible. Utilizing high-temperature electronics and a high-temperature motor that does not need to be shielded provides a reliable and robust method for long-term deployments and long-life operations.

The dynamic failure of materials in a finite volume shock physics computational code poses many challenges. Sandia National Laboratories has added Lagrangian markers as a new capability to CTH. The failure process of a marker in CTH is driven by the nature of Lagrangian numerical methods. This process is performed in three steps and the first step is to detect failure using the material constitutive model. The constitutive model detects failure computing damage or other means from the strain rate, strain, stress, etc. Once failure has been determined the material stress and energy states are released along a path driven by the constitutive model. Once the magnitude of the stress reaches a critical value, the material is switched to another material that behaves hydrodynamically. The hydrodynamic failed material is by definition non-shear-supporting but still retains the Equation of State (EOS) portion of the constitutive model. The material switching process is conservative in mass, momentum and energy. The failed marker material is allowed to fail using the CTH method of void insertion as necessary during the computation.

While adiabatic quantum computing (AQC) has some robustness to noise and decoherence, it is widely believed that encoding, error suppression and error correction will be required to scale AQC to large problem sizes. Previous works have established at least two different techniques for error suppression in AQC. In this paper we derive a model for describing the dynamics of encoded AQC and show that previous constructions for error suppression can be unified with this dynamical model. In addition, the model clarifies the mechanisms of error suppression and allows the identification of its weaknesses. In the second half of the paper, we utilize our description of non-equilibrium dynamics in encoded AQC to construct methods for error correction in AQC by cooling local degrees of freedom (qubits). While this is shown to be possible in principle, we also identify the key challenge to this approach: the requirement of high-weight Hamiltonians. Finally, we use our dynamical model to perform a simplified thermal stability analysis of concatenated-stabilizer-code encoded many-body systems for AQC or quantum memories. This work is a companion paper to 'Error suppression and error correction in adiabatic quantum computation: techniques and challenges (2013 Phys. Rev. X 3 041013)', which provides a quantum information perspective on the techniques and limitations of error suppression and correction in AQC. In this paper we couch the same results within a dynamical framework, which allows for a detailed analysis of the non-equilibrium dynamics of error suppression and correction in encoded AQC. © IOP Publishing and Deutsche Physikalische Gesellschaft.

A unified creep plasticity damage (UCPD) model for Sn-Pb and Pb-free solders was developed and implemented into finite element analysis codes. The new model will be described along with the relationship between the model's damage evolution equation and an empirical Coffin-Manson relationship for solder fatigue. Next, developments needed to model crack initiation and growth in solder joints will be described. Finally, experimentally observed cracks in typical solder joints subjected to thermal mechanical fatigue are compared with model predictions. Finite element based modeling is particularly suited for predicting solder joint fatigue of advanced electronics packaging, e.g. package-on-package (PoP), because it allows for evaluation of a variety of package materials and geometries. Copyright © 2013 by ASME.

Carbon fibers are being increasingly used in composites for aircraft. They are bound together with a binder, often an epoxy. There are many grades of binders, and many different types of composites sold on the market. They are expensive. We have some donated materials of unknown type, and would like to be able to be cost-effective and use them without incurring a large cost to analyze the materials using laboratory methods. Visual inspection is not normally sufficiently accurate to be able to tell one composite from another. Optical methods that involve a broader spectrum have commonly been used to discriminate organic materials. A five-band spectral reflectometer is used to measure reflectivity of the surfaces, and is a simple way of extracting data into the infrared bands. The instrument used in these tests is less resolved than a narrow band spectrometer, but is easier to deploy because it is a hand-held device that only requires a flat surface of approximately 3 cm diameter. Reflectivity of many different composite materials, including a bismaleimide, several thermoset epoxies, and some low temperature epoxies from various manufacturers is measured. Other materials are also included to demonstrate that non-composites can be rejected by the methods. Analysis shows that the reflectometer measurements are capable of discriminating some materials, but have difficulty with discriminating others. The raw reflectivity data are likely to be helpful for future radiation modeling of composite surfaces. Copyright © 2013 by ASME.

The objective of this work is to enable the safe design of hydrogen pressure vessels by measuring the fatigue crack growth rates of ASME code-qualified steels in high-pressure hydrogen gas. While a design-life calculation framework has recently been established for high-pressure hydrogen vessels, a material property database does not exist to support the analysis. This study addresses such voids in the database by measuring the fatigue crack growth rates for three heats of ASME SA-372 Grade J steel in 100 MPa hydrogen gas at two different load ratios (R). Results show that fatigue crack growth rates are similar for all three steel heats and are only a mild function of R. Hydrogen accelerates the fatigue crack growth rates of the steels by at least an order of magnitude relative to crack growth rates in inert environments. Despite such dramatic effects of hydrogen on the fatigue crack growth rates, measurement of these properties enables reliable definition of the design life of steel hydrogen containment vessels. Copyright © 2013 by ASME.

The Lagrangian Material Point Method (MPM) [1, 2] has been implemented into the Eulerian shock physics code CTH[3], at Sandia National Laboratories. Since the MPM uses a background grid to calculate gradients, the method can numerically fracture if an insufficient number of particles per cell are used in high strain problems. Numerical fracture happens when the particles become separated by more than a grid cell leading to a loss of communication between them. One solution to this problem is the Convected Particle Domain Interpolation (CPDI) technique[4] where the shape functions are allowed to stretch smoothly across multiple grid cells, which alleviates this issue but introduces difficulties for parallelization because the particle domains can become non-local. This paper presents an approach where the particles are dynamically split when the volumetric strain for a particle becomes greater than a set limit so that the particle domain is always local, and presents an application to a large strain problem.

We apply diffusion quantum Monte Carlo to a broad set of solids, benchmarking the method by comparing bulk structural properties (equilibrium volume and bulk modulus) to experiment and density functional theory (DFT) based theories. The test set includes materials with many different types of binding including ionic, metallic, covalent, and van der Waals. We show that, on average, the accuracy is comparable to or better than that of DFT when using the new generation of functionals, including one hybrid functional and two dispersion corrected functionals. The excellent performance of quantum Monte Carlo on solids is promising for its application to heterogeneous systems and high-pressure/high-density conditions. Important to the results here is the application of a consistent procedure with regards to the several approximations that are made, such as finite-size corrections and pseudopotential approximations. This test set allows for any improvements in these methods to be judged in a systematic way.

This report is a summary of research results from an Early Career LDRD project con-ducted from January 2012 to December 2013 at Sandia National Laboratories. Demonstrated here is the use of conducting polymers as active materials in the posi-tive electrodes of rechargeable aluminum-based batteries operating at room tempera-ture. The battery chemistry is based on chloroaluminate ionic liquid electrolytes, which allow reversible stripping and plating of aluminum metal at the negative elec-trode. Characterization of electrochemically synthesized polypyrrole films revealed doping of the polymers with chloroaluminate anions, which is a quasi-reversible reac-tion that facilitates battery cycling. Stable galvanostatic cycling of polypyrrole and polythiophene cells was demonstrated, with capacities at near-theoretical levels (30-100 mAh g^-1) and coulombic efficiencies approaching 100%. The energy density of a sealed sandwich-type cell with polythiophene at the positive electrode was estimated as 44 Wh kg^-1, which is competitive with state-of-the-art battery chemistries for grid-scale energy storage.

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For this paper, we consider the problem of classifying a test sample given incomplete information. This problem arises naturally when data about a test sample is collected over time, or when costs must be incurred to compute the classification features. For example, in a distributed sensor network only a fraction of the sensors may have reported measurements at a certain time, and additional time, power, and bandwidth is needed to collect the complete data to classify. A practical goal is to assign a class label as soon as enough data is available to make a good decision. We formalize this goal through the notion of reliability—the probability that a label assigned given incomplete data would be the same as the label assigned given the complete data, and we propose a method to classify incomplete data only if some reliability threshold is met. Our approach models the complete data as a random variable whose distribution is dependent on the current incomplete data and the (complete) training data. The method differs from standard imputation strategies in that our focus is on determining the reliability of the classification decision, rather than just the class label. We show that the method provides useful reliability estimates of the correctness of the imputed class labels on a set of experiments on time-series data sets, where the goal is to classify the time-series as early as possible while still guaranteeing that the reliability threshold is met.

For an impulsively loaded containment vessel, such as the Sandia Explosive Destruction System (EDS), the traditional notion of a single-value explosive rating may not be sufficient to qualify the vessel for many real-life loading situations, such as those involving multiple munitions placed in various geometric configurations. Other significant factors, including detonation timing, geometry of explosive(s), and standoff distances, need to be considered for a more accurate assessment of the vessel integrity. It is obvious that the vessel structural response from an explosive charge detonated at the geometric center of the vessel will be very different from the structural response from the same explosive charge detonated next to the vessel wall. It is, however, less obvious that the same explosive can produce vastly different vessel response if it is detonated at one end versus at the middle versus from both ends. The goal of this paper is to identify some of the effects that non-trivial loading situations have on the vessel structural integrity. The metric for determining vessel integrity is based on Code Case 2564 of the ASME Boiler and Pressure Vessel Code. Based on the findings of this work, it may be necessary to qualify impulsively loaded containment vessels for specific explosive configurations, which should include the quantity, geometry and location of the explosives, as well as the detonation points. Copyright © 2013 by ASME.

Code Case 2564 for the design of impulsively loaded vessels was approved in January 2008. In 2010 the US Army Non-Stockpile Chemical Materiel Program, with support from Sandia National Laboratories, procured a vessel per this Code Case for use on the Explosive Destruction System (EDS). The vessel was delivered to the Army in August of 2010 and approved for use by the DoD Explosives Safety Board in 2012. Although others have used the methodology and design limits of the Code Case to analyze vessels, to our knowledge, this was the first vessel to receive an ASME explosive rating with a U3 stamp. This paper discusses lessons learned in the process. Of particular interest were issues related to defining the design basis in the User Design Specification and explosive qualification testing required for regulatory approval. Specifying and testing an impulsively loaded vessel is more complicated than a static pressure vessel because the loads depend on the size, shape, and location of the explosive charges in the vessel and on the kind of explosives used and the point of detonation. Historically the US Department of Defense and Department of Energy have required an explosive test. Currently the Code Case does not address testing requirements, but it would be beneficial if it did since having vetted, third party standards for explosive qualification testing would simplify the process for regulatory approval. Copyright © 2013 by ASME.

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