Publications

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We examine four parametrizations of the unit sphere in the context of material stability analysis by means of the singularity of the acoustic tensor. We then propose a Cartesian parametrization for vectors that lie a cube of side length two and use these vectors in lieu of unit normals to test for the loss of the ellipticity condition. This parametrization is then used to construct a tensor akin to the acoustic tensor. It is shown that both of these tensors become singular at the same time and in the same planes in the presence of a material instability. Furthermore, the performance of the Cartesian parametrization is compared against the other parametrizations, with the results of these comparisons showing that in general, the Cartesian parametrization is more robust and more numerically efficient than the others.

Ultrasonic analysis is being explored as a way to capture events during melting of highly dispersive wax. Typical events include temperature changes in the material, phase transition of the material, surface flows and reformations, and void filling as the material melts. Melt tests are performed with wax to evaluate the usefulness of different signal processing algorithms in capturing event data. Several algorithm paths are being pursued. The first looks at changes in the velocity of the signal through the material. This is only appropriate when the changes from one ultrasonic signal to the next can be represented by a linear relationship, which is not always the case. The second tracks changes in the frequency content of the signal. The third algorithm tracks changes in the temporal moments of a signal over a full test. This method does not require that the changes in the signal be represented by a linear relationship, but attaching changes in the temporal moments to physical events can be difficult. This paper describes the algorithm paths applied to experimental data from ultrasonic signals as wax melts and explores different ways to display the results.

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The Enhanced Surveillance Sub-program has an annual NNSA requirement to submit a comprehensive report on all our fiscal year activities right after the start of the next calendar year. As most of you know, we collate all of our PI task submissions into a single volume that we send to NNSA, our customers, and use for other programmatic purposes. The functional objective of this report is to formally document the purpose, status, and accomplishments and impacts of all our work. For your specific submission, please follow the instructions described below and use the template provided. These are essentially the same as was used last year. We recognize this report may also include information on specific age-related findings that you will provide again in a few months as input to the Stockpile Annual Assessment process (e.g., in the submittal of your Component Assessment Report). However, the related content of your ES AR input should provide an excellent foundation that can simply be updated as needed for your Annual Assessment input.

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Pyrolyzed carbon as a mechanical material is promising for applications in harsh environments. In this work, we characterized the material and developed novel processes for fabricating carbon composite micro-electromechanical systems (CMEMS) structures. A novel method of increasing Young's modulus and the conductivity of pyrolyzed AZ 4330 was demonstrated by loading the films with graphene oxide prior to pyrolysis. By incorporating 2 wt.% graphene stiffeners into the film, a 65% increase in Young's modulus and 11% increase in conductivity were achieved. By reactive ion etching pyrolyzed blanket AZ 50XT thick film photoresist, a high aspect ratio process was demonstrated with films >7.5um thick. Two novel multi-level, volume-scalable CMEMS processes were developed on 6" diameter wafers. Young's modulus of 23 GPa was extracted from nanoindentation measurements of pyrolyzed AZ 50XT films. The temperature-dependent resistance was characterized from room temperature to 500C and found to be nearly linear over this range. By fitting the results of self-heated bridges in an inert ambient, we calculated that the bridges survived to 1000C without failure. Transmission electron microscopy (TEM) results showed the film to be largely amorphous, containing some sub-micrometer sized graphite crystallites. This was consistent with our Raman analysis, which also showed the film to be largely sp² bonded. The calculated average density of pyrolyzed AZ 4330 films was 1.32 g/cm². Thin level of disorder and the conductivity of thin film resistors were found to unchanged by 2Mrad gamma irradiation from a Co₆₀ source. Thin film pyrolyzed carbon resistors were hermetically sealed in a nitrogen ambient in 24-pin dual in-line packages (DIP's). The resistance was measured periodically and remained constant over 6 months' time.

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Silicon chips hosting a single donor can be used to store and manipulate one bit of quantum information. However, a central challenge for realizing quantum logic operations is to couple donors to one another in a controllable way. To achieve this, several proposals rely on using nearby quantum dots (QDs) to mediate an interaction. In this work, we demonstrate the coherent coupling of electron spins between a single 31 P donor and an enriched 28 Si metal-oxide-semiconductor few-electron QD. We show that the electron-nuclear spin interaction on the donor can drive coherent rotations between singlet and triplet electron spin states of the QD-donor system. Moreover, we are able to tune electrically the exchange interaction between the QD and donor electrons. Furthermore, the combination of single-nucleus-driven rotations and voltage-tunable exchange provides every key element for future all-electrical control of spin qubits, while requiring only a single QD and no additional magnetic field gradients

Herein we develop a quantitative dye dequenching technique for the measurement of polymersome fusion, using it to characterize the salt mediated, mechanically-induced fusion of polymersomes with polymer, lipid, and so-called stealth lipid vesicles. While dye dequenching has been used to quantitatively explore liposome fusion in the past, this is the first use of dye dequenching to measure polymersome fusion of which we are aware. In addition to providing quantitative results, dye dequenching is ideal for detecting fusion in instances where DLS results would be ambiguous, such as low yield levels and size ranges outside the capabilities of DLS. The dye chosen for this study was a cyanine derivative, 1,1′-dioctadecyl-3,3,3′,3′-tetramethylindotricarbocyanine iodide (DiR), which proved to provide excellent data on the extent of polymersome fusion. Using this technique, we have shown the limited fusion capabilities of polymersome/liposome heterofusion, notably DOPC vesicles fusing with polymersomes at half the efficiency of polymersome homofusion and DPPC vesicles showing virtually no fusion. In addition to these key heterofusion experiments, we determined the broad applicability of dye dequenching in measuring kinetic rates of polymersome fusion; and showed that even at elevated temperatures or over multiple weeks' time, no polymersome fusion occurred without agitation. Stealth liposomes formed from DPPC and PEO-functionalized lipid, however, fused with polymersomes and stealth liposomes with relatively high efficiency, lending support to our hypothesis that the response of the PEO corona to salt is a key factor in the fusion process. This last finding suggests that although the conjugation of PEO to lipids increases vesicle biocompatibility and enables their longer circulation times, it also renders the vesicles subject to destabilization under high salt and shear (e.g. in the circulatory system) that may lead to, in this case, fusion.

Laser-based failure analysis techniques demonstrate the ability to quickly and non-intrusively screen deep ultraviolet light-emitting diodes (LEDs) for electrically-active defects. In particular, two laser-based techniques, light-induced voltage alteration and thermally-induced voltage alteration, generate applied voltage maps (AVMs) that provide information on electrically-active defect behavior including turn-on bias, density, and spatial location. Here, multiple commercial LEDs were examined and found to have dark defect signals in the AVM indicating a site of reduced resistance or leakage through the diode. The existence of the dark defect signals in the AVM correlates strongly with an increased forward-bias leakage current. This increased leakage is not present in devices without AVM signals. Transmission electron microscopy analysis of a dark defect signal site revealed a dislocation cluster through the pn junction. The cluster included an open core dislocation. Even though LEDs with few dark AVM defect signals did not correlate strongly with power loss, direct association between increased open core dislocation densities and reduced LED device performance has been presented elsewhere [M. W. Moseley et al., J. Appl. Phys. 117, 095301 (2015)].

We report on a new technique for obtaining off-Hugoniot pressure vs. density data for solid metals compressed to extreme pressure by a magnetically driven liner implosion on the Z-machine (Z) at Sandia National Laboratories. In our experiments, the liner comprises inner and outer metal tubes. The inner tube is composed of a sample material (e.g., Ta and Cu) whose compressed state is to be inferred. The outer tube is composed of Al and serves as the current carrying cathode. Another aluminum liner at much larger radius serves as the anode. A shaped current pulse quasi-isentropically compresses the sample as it implodes. The iterative method used to infer pressure vs. density requires two velocity measurements. Photonic Doppler velocimetry probes measure the implosion velocity of the free (inner) surface of the sample material and the explosion velocity of the anode free (outer) surface. These two velocities are used in conjunction with magnetohydrodynamic simulation and mathematical optimization to obtain the current driving the liner implosion, and to infer pressure and density in the sample through maximum compression. This new equation of state calibration technique is illustrated using a simulated experiment with a Cu sample. Monte Carlo uncertainty quantification of synthetic data establishes convergence criteria for experiments. Results are presented from experiments with Al/Ta, Al/Cu, and Al liners. Symmetric liner implosion with quasi-isentropic compression to peak pressure ∼1000 GPa is achieved in all cases. These experiments exhibit unexpectedly softer behavior above 200 GPa, which we conjecture is related to differences in the actual and modeled properties of aluminum.

In this work we have presented a particle resuspension model implemented in the SNL code SIERRA/Fuego, which can be used to model particle dispersal and resuspension from surfaces. The method demonstrated is applicable to a class of particles, but would require additional parametric fits or physics models for extension to other applications, such as wetted particles or walls. We have demonstrated the importance of turbulent variations in the wall shear stress when considering resuspension, and implemented both shear stress variation models and stochastic resuspension models (not shown in this work). These models can be used in simulations with of physically realistic scenarios to augment lab-scale DOE Handbook data for airborne release fractions and respirable fractions in order to provide confidences for safety analysts and facility designers to apply in their analyses at DOE sites. Future work on this topic will involve validation of the presented model against experimental data and extension of the empirical models to be applicable to different classes of particles and surfaces.

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We present here an example of how a large,multi-dimensional unstructured data set, namely aircraft trajectories over the United States, can be analyzed using relatively straightforward unsupervised learning techniques. We begin by adding a rough structure to the trajectory data using the notion of distance geometry. This provides a very generic structure to the data that allows it to be indexed as an n-dimensional vector. We then do a clustering based on the HDBSCAN algorithm to both group flights with similar shapes and find outliers that have a relatively unique shape. Next, we expand the notion of geometric features to more specialized features and demonstrate the power of these features to solve specific problems. Finally, we highlight not just the power of the technique but also the speed and simplicity of the implementation by demonstrating them on very large data sets.