Sandia National Laboratories is committed to being an informed, compassionate and contributing neighbor in our local communities. This commitment has been demonstrated throughout Sandia's history, and is an enduring part of our future. New Mexico faces many challenges, including one of the highest childhood poverty rates in the United States and one of the lowest educational proficiency rates. Lack of affordable housing and insufficient educational achievement are issues in the Bay Area near our Livermore site. To address the greatest challenges faced in Sandia's communities of Albuquerque, NM, and Livermore, CA, and other remote sites, Sandia's contributions leverage resources in three critical focus areas. In 2019, National Technology and Engineering Solutions of Sandia, contributed $1.4M to our local communities, including $151K in the Livermore area.
Battery electrodes are composed of polydisperse particles and a porous, composite binder domain. These materials are arranged into a complex mesostructure whose morphology impacts both electrochemical performance and mechanical response. We present image-based, particle-resolved, mesoscale finite element model simulations of coupled electrochemical-mechanical performance on a representative NMC electrode domain. Beyond predicting macroscale quantities such as half-cell voltage and evolving electrical conductivity, studying behaviors on a per-particle and per-surface basis enables performance and material design insights previously unachievable. Voltage losses are primarily attributable to a complex interplay between interfacial charge transfer kinetics, lithium diffusion, and, locally, electrical conductivity. Mesoscale heterogeneities arise from particle polydispersity and lead to material underutilization at high current densities. Particle-particle contacts, however, reduce heterogeneities by enabling lithium diffusion between connected particle groups. While the porous composite binder domain (CBD) may have slower ionic transport and less available area for electrochemical reactions, its high electrical conductivity makes it the preferred reaction site late in electrode discharge. Mesoscale results are favorably compared to both experimental data and macrohomogeneous models. This work enables improvements in materials design by providing a tool for optimization of particle sizes, CBD morphology, and manufacturing conditions.
This work explores how High Perforrnance Computing is enabling acoustic solutions across a wide-range ofscience and engineering applications that were historically intractable.
Communication hypergraph model was introduced in a two-phase setting for encapsulating multiple communication cost metrics (bandwidth and latency), which are proven to be important in parallelizing irregular applications. In the first phase, computational-task-to-processor assignment is performed with the objective of minimizing total volume while maintaining computational load balance. In the second phase, communication-task-to-processor assignment is performed with the objective of minimizing total number of messages while maintaining communication-volume balance. The reduce-communication hypergraph model suffers from failing to correctly encapsulate send-volume balancing. We propose a novel vertex weighting scheme that enables part weights to correctly encode send-volume loads of processors for send-volume balancing. The model also suffers from increasing the total communication volume during partitioning. To decrease this increase, we propose a method that utilizes the recursive bipartitioning framework and refines each bipartition by vertex swaps. For performance evaluation, we consider column-parallel SpMV, which is one of the most widely known applications in which the reduce-task assignment problem arises. Extensive experiments on 313 matrices show that, compared to the existing model, the proposed models achieve considerable improvements in all communication cost metrics. Furthermore, these improvements lead to an average decrease of 30% in parallel SpMV time on 512 processors for 70 matrices with high irregularity.
Melia, Michael A.; Percival, Stephen J.; Qin, Shuang; Barrick, Erin; Spoerke, Erik; Grunlan, Jaime; Schindelholz, Eric J.
In this work, the influence of clay platelet size on the corrosion barrier performance of highly-aligned polymer clay nanocomposite (PCN) thin films was examined. Layer-by-layer (LbL) deposition of alternating branched polyethylenimine (PEI) and either laponite (LAP), montromorillonite (MMT) or vermiculite (VMT) clay platelets were assembled on mild steel plates to obtain 20 bilayer (BL) films and cross-linked using glutaraldehyde after deposition. The clay platelets were chosen based on their aspect ratio, approximately 30:1, 400:1, and 2000:1, respectively. Electrochemical impedance spectroscopy of the coated steel plates during immersion showed corrosion rates and coating permeability followed LAP > MMT > VMT for up to 7 days of exposure in 0.6 M NaCl. The PEI/VMT films, ~250 nm thick, slowed corrosion by a factor of >1000 compared to bare steel. The results support the premise that high aspect ratio clay platelets can improve the corrosion barrier efficacy of LbL PCN films by decreasing film permeability and provide exceptional protection to steel in saline environments compared to other thin multilayer coatings and pretreatments.
This report is a condensed version of previous reports identifying technical gaps that, if addressed, could be used to ensure the continued safe storage of SNF for extended periods and support licensing activities. This report includes updated gap priority assessments because the previous gap priorities were based on R&D performed through 2017. Much important work has been done since 2017 that requires a change in a few of the priority rankings to better focus the near-term R&D program. Background material, regulatory positions, operational and inventory status, and prioritization schemes are discussed in detail in Hanson et al. (2012) and Hanson and Alsaed (2019) and are not repeated in this report. One exception is an overview of the prioritization criteria for reference. This is meant to give the reader an appreciation of the framework for prioritization of the identified gaps. A complete discussion of the prioritization scheme is provided in Hanson and Alsaed (2019).
Oxidative decomposition of organic-solvent-based liquid electrolytes at cathode material interfaces has been identified as the main reason for rapid capacity fade in high-voltage lithium ion batteries. The evolution of "cathode electrolyte interphase" (CEI) films, partly or completely consisting of electrolyte decomposition products, has also recently been demonstrated to correlate with battery cycling behavior at high potentials. Using density functional theory calculations, the hybrid PBE0 functional, and the (001) surfaces of spinel oxides as models, we examine these two interrelated processes. Consistent with previous calculations, ethylene carbonate (EC) solvent molecules are predicted to be readily oxidized on the LixMn2O4 (001) surface at modest operational voltages, forming adsorbed organic fragments. Further oxidative decomposition of such CEI fragments to release CO2 gas is however predicted to require higher voltages consistent with LixNi0.5Mn1.5O4 (LNMO) at smaller x values. We argue that multistep reactions, involving first formation of CEI films and then further oxidization of CEI at higher potentials, are most relevant to capacity fade. Mechanisms associated with dissolution or oxidation of native Li2CO3 films, which are removed before the electrolyte is in contact with oxide surfaces, are also explored.
A tethered-balloon system (TBS) has been developed and is being operated by Sandia National Laboratories (SNL) on behalf of the U.S. Department of Energy's (DOE) Atmospheric Radiation Measurement (ARM) User Facility in order to collect in situ atmospheric measurements within mixed-phase Arctic clouds. Periodic tethered-balloon flights have been conducted since 2015 within restricted airspace at ARM's Advanced Mobile Facility 3 (AMF3) in Oliktok Point, Alaska, as part of the AALCO (Aerial Assessment of Liquid in Clouds at Oliktok), ERASMUS (Evaluation of Routine Atmospheric Sounding Measurements using Unmanned Systems), and POPEYE (Profiling at Oliktok Point to Enhance YOPP Experiments) field campaigns. The tethered-balloon system uses helium-filled 34 m3 helikites and 79 and 104 m3 aerostats to suspend instrumentation that is used to measure aerosol particle size distributions, temperature, horizontal wind, pressure, relative humidity, turbulence, and cloud particle properties and to calibrate ground-based remote sensing instruments.
Supercooled liquid water content (SLWC) sondes using the vibrating-wire principle, developed by Anasphere Inc., were operated at Oliktok Point at multiple altitudes on the TBS within mixed-phase clouds for over 200 h. Sonde-collected SLWC data were compared with liquid water content derived from a microwave radiometer, Ka-band ARM zenith radar, and ceilometer at the AMF3, as well as liquid water content derived from AMF3 radiosonde flights. The in situ data collected by the Anasphere sensors were also compared with data collected simultaneously by an alternative SLWC sensor developed at the University of Reading, UK; both vibrating-wire instruments were typically observed to shed their ice quickly upon exiting the cloud or reaching maximum ice loading. Temperature sensing measurements distributed with fiber optic tethered balloons were also compared with AMF3 radiosonde temperature measurements. Combined, the results indicate that TBS-distributed temperature sensing and supercooled liquid water measurements are in reasonably good agreement with remote sensing and radiosonde-based measurements of both properties. From these measurements and sensor evaluations, tethered-balloon flights are shown to offer an effective method of collecting data to inform and constrain numerical models, calibrate and validate remote sensing instruments, and characterize the flight environment of unmanned aircraft, circumventing the difficulties of in-cloud unmanned aircraft flights such as limited flight time and in-flight icing.
The data from the multi-modal transportation test conducted in 2017 demonstrated that the inputs from the shock events during all transport modes (truck, rail, and ship) were amplified from the cask to the spent commercial nuclear fuel surrogate assemblies. These data do not support common assumption that the cask content experiences the same accelerations as the cask itself. This was one of the motivations for conducting 30 cm drop tests. The goal of the 30 cm drop test is to measure accelerations and strains on the surrogate spent nuclear fuel assembly and to determine whether the fuel rods can maintain their integrity inside a transportation cask when dropped from a height of 30 cm. The 30 cm drop is the remaining NRC normal conditions of transportation regulatory requirement (10 CFR 71.71) for which there are no data on the actual surrogate fuel. Because the full-scale cask and impact limiters were not available (and their cost was prohibitive), it was proposed to achieve this goal by conducting three separate tests. This report describes the first two tests — the 30 cm drop test of the 1/3 scale cask (conducted in December 2018) and the 30 cm drop of the full-scale dummy assembly (conducted in June 2019). The dummy assembly represents the mass of a real spent nuclear fuel assembly. The third test (to be conducted in the spring of 2020) will be the 30 cm drop of the full-scale surrogate assembly. The surrogate assembly represents a real full-scale assembly in physical, material, and mechanical characteristics, as well as in mass.
Gas ingested into the sac of a fuel injector after the injector needle valve closes is known to have crucial impacts on initial spray formation and plume growth in a following injection cycle. Yet little research has been attempted to understand the fate sac gases during pressure expansion and compression typical of an engine. This study investigated cavitation and bubble processes in the sac including the effect of chamber pressure decrease and increase consistent with an engine cycle. A single axial-hole transparent nozzle based on the Engine Combustion Network (ECN) Spray D nozzle geometry was mounted in a vessel filled with nitrogen, and the nitrogen gas pressure was cycled after the end of injection. Interior nozzle phenomena were visualized by high-speed longdistance microscopy with a nanosecond pulsed LED back-illumination. Experimental results showed that the volume of gas in the sac after the needle closes depends upon the vessel gas pressure. Higher back pressure results in less cavitation and a smaller volume of non-condensable gas in the sac. But a pressure decrease mimicking the expansion stroke causes the gas within the sac to expand significantly, proportional to the pressure decrease, while also evacuating liquid in front of the bubble. The volume of the gas in the sac increases during the expansion cycle due both to isothermal expansion as well as desorption of inherent dissolved gas in the fuel. During the compression cycle, the volume of bubbles decreases and additional non-condensable ambient gas is ingested into the sac. As the liquid fuel is nearly incompressible, the volume of both liquid and gas essentially remains constant during compression.
Here, we propose a dislocation adsorption-based mechanism for void growth in metals, wherein a void grows as dislocations from the bulk annihilate at its surface. The basic process is governed by glide and cross-slip of dislocations at the surface of a void. Using molecular dynamics simulations we show that when dislocations are present around a void, growth occurs more quickly and at much lower stresses than when the crystal is initially dislocation-free. Finally, we show that adsorption-mediated growth predicts an exponential dependence on the hydrostatic stress, consistent with the well-known Rice-Tracey equation.
The Waste Isolation Pilot Plant (WIPP) is a geologic repository for defense-related nuclear waste. If left undisturbed, the virtually impermeable rock salt surrounding the repository will isolate the nuclear waste from the biosphere. If humans accidentally intrude into the repository in the future, then the likelihood of a radionuclide release to the biosphere will depend significantly on the porosity and permeability of the repository itself. Room ceilings and walls at the WIPP tend to collapse over time, causing rubble piles to form on floors of empty rooms. The surrounding rock formation will gradually compact these rubble piles until they eventually become solid salt, but the length of time for a rubble pile to reach a certain porosity and permeability is unknown. This report details the first efforts to build models to predict the porosity and permeability evolution of an empty room as it closes. Conventional geomechanical numerical methods would struggle to model empty room collapse and rubble pile consolidation, so three different meshless methods, the Immersed Isogeometric Analysis Meshfree, Reproducing Kernel Particle Method (RKPM), and the Conformal Reproducing Kernel method, were assessed. First, the meshless methods and the finite element method each simulated gradual room closure, without ceiling or wall collapse. All three methods produced equivalent room closure predictions with comparable computational speed. Second, the Immersed Isogeometric Analysis Meshfree method and RKPM simulated two-dimensional empty room collapse and rubble pile consolidation. Both methods successfully simulated large viscoplastic deformations, fracture, and rubble pile rearrangement to produce qualitatively realistic results. In addition to geomechanical simulations, the flow channels in damaged salt and crushed salt were measured using micro-computed tomography, and input into a computational fluid dynamics simulation to predict the salt's permeability. Although room for improvement exists, the current simulation approaches appear promising.
The realization of metamaterials or metasurfaces with simultaneous electric and magnetic response and low loss is generally very difficult at optical frequencies. Traditional approaches using nanoresonators made of noble metals, while suitable for the microwave and terahertz regimes, fail at frequencies above the near-infrared, due to prohibitive high dissipative losses and the breakdown of scaling resulting from the electron mass contribution (kinetic inductance) to the effective reactance of these plasmonic meta-atoms. The alternative route based on Mie resonances of high-index dielectric particles normally leads to structure sizes that tend to break the effective-medium approximation. Here, we propose a subwavelength dark-state-based metasurface, which enables configurable simultaneous electric and magnetic responses with low loss. Proof-of-concept metasurface samples, specifically designed around telecommunication wavelengths (i.e., λ ≈ 1.5 μm), were fabricated and investigated experimentally to validate our theoretical concept. Because the electromagnetic field energy is localized and stored predominantly inside a dark resonant dielectric bound state, the proposed metasurfaces can overcome the loss issue associated with plasmonic resonators made of noble metals and enable scaling to very high operation frequency without suffering from saturation of the resonance frequency due to the kinetic inductance of the electrons
At the molecular level, resonant coupling of infrared radiation with oscillations of the electric dipole moment determines the absorption cross section, $σ$. The parameter σ relates the bond density to the total integrated absorption. In this work, $σ$ was measured for the Si–N asymmetric stretch mode in SiNx thin films of varying composition and thickness. Thin films were deposited by low pressure chemical vapor deposition at 850 °C from mixtures of dichlorosilane and ammonia. σ for each film was determined from Fourier transform infrared spectroscopy and ellipsometric measurements. Increasing the silicon content from 0% to 25% volume fraction amorphous silicon led to increased optical absorption and a corresponding systematic increase in σ from 4.77 × 10–20 to 6.95 × 10–20 cm2, which is consistent with literature values. The authors believe that this trend is related to charge transfer induced structural changes in the basal SiNx tetrahedron as the volume fraction of amorphous silicon increases. Furthermore, experimental $σ$ values were used to calculate the effective dipole oscillating charge, q, for four films of varying composition. The authors find that q increases with increasing amorphous silicon content, indicating that compositional factors contribute to modulation of the Si–N dipole moment. Additionally, in the composition range investigated, the authors found that $σ$ agrees favorably with trends observed in films deposited by plasma enhanced chemical vapor deposition.
The Chemkin-Pro Advanced Programming Interface (API) was used to implement surface-kinetics user-routines to expand current aerosol dynamics models. Phase change mechanisms were expanded to include homogeneous nucleation in super-saturated environments, and particle size dependent vapor condensation and evaporation. Homogeneous nucleation of water droplets was modeled with Classical Nucleation Theory (CNT) and a modified form of nucleation theory published by Dillmann and Meier. The Chemkin-Pro homogeneous nucleation module, developed in this work, was validated against published data for nucleation fluxes at varying pressures, temperatures, and vapor concentrations. A newly released feature in Chemkin-Pro enabled particle-size-dependent surface reaction rates. A Chemkin-Pro vapor condensation and evaporation module was written and verified with the formulation published in Hinds. Lastly, Chemkin-Pro results for coagulation in the transition regime were verified with the semi-implicit method developed by Jacobson. We report good performance was observed for all three Chemkin-Pro modules. This work illustrates the utility of the Chemkin-Pro API, and the flexibility with which models can be developed using surface-kinetics user-routines. This paper illustrates that Chemkin-Pro can be developed to include more physically representative aerosol dynamics processes where rates are defined based on physical and chemical parameters rather than Arrhenius rates. The methods and modules developed in this work can be applied to industrial problems like material synthesis (e.g., powder production), processes involving phase change like heat exchangers, as well as more fundamental scientific processes like cloud physics.
High-temperature optical analysis of three different InGaN/GaN multiple quantum well (MQW) light-emitting diode (LED) structures (peak wavelength λp = 448, 467, and 515 nm) is conducted for possible integration as an optocoupler emitter in high density power electronic modules. The commercially available LEDs, primarily used in the display (λp = 467 and 515 nm) and lighting (λp = 448 nm) applications, are studied and compared to evaluate if they can satisfy the light output requirements in the optocouplers at high temperatures. The temperature- and intensity-dependent electroluminescence (T-IDEL) measurement technique is used to study the internal quantum efficiency (IQE) of the LEDs. All three LEDs exhibit above 70% IQE at 500 K and stable operation at 800 K without flickering or failure. At 800 K, a promising IQE of above 40% is observed for blue for display (BD) (λp = 467 nm) and green for display (GD) (λp = 515 nm) samples. The blue for light (BL) (λp = 448 nm) sample shows 24% IQE at 800 K.
In this work, we have characterized the calcium carbonate (CaCO3) precipitates over time caused by reaction-driven precipitation and dissolution in a micromodel. Reactive solutions were continuously injected through two separate inlets, resulting in transverse-mixing induced precipitation during the precipitation phase. Subsequently, a dissolution phase was conducted by injecting clean water (pH = 4). The evolution of precipitates was imaged in two and three dimensions (2-, 3-D) at selected times using optical and confocal microscopy. With estimated reactive surface area, effective precipitation and dissolution rates can be quantitatively compared to results in the previous works. Our comparison indicates that we can evaluate the spatial and temporal variations of effective reactive areas more mechanistically in the microfluidic system only with the knowledge of local hydrodynamics, polymorphs, and comprehensive image analysis. Our analysis clearly highlights the feedback mechanisms between reactions and hydrodynamics. Pore-scale modeling results during the dissolution phase were used to account for experimental observations of dissolved CaCO3 plumes with dissolution of the unstable phase of CaCO3. Mineral precipitation and dissolution induce complex dynamic pore structures, thereby impacting pore-scale fluid dynamics. Pore-scale analysis of the evolution of precipitates can reveal the significance of chemical and pore structural controls on reaction and fluid migration.
Fies, Whitney A.; First, Jeremy T.; Dugger, Jason W.; Doucet, Mathieu; Browning, James F.; Webb, Lauren J.
Establishing how water, or the absence of water, affects the structure, dynamics, and function of proteins in contact with inorganic surfaces is critical to developing successful protein immobilization strategies. In this work, the quantity of water hydrating a monolayer of helical peptides covalently attached to self-assembled monolayers (SAMs) of alkyl thiols on Au was measured using neutron reflectometry (NR). The peptide sequence was composed of repeating LLKK units in which the leucines were aligned to face the SAM. When immersed in water, NR measured 2.7 ± 0.9 water molecules per thiol in the SAM layer and between 75 ± 13 and 111 ± 13 waters around each peptide. The quantity of water in the SAM was nearly twice that measured prior to peptide functionalization, suggesting that the peptide disrupted the structure of the SAM. To identify the location of water molecules around the peptide, we compared our NR data to previously published molecular dynamics simulations of the same peptide on a hydrophobic SAM in water, revealing that 49 ± 5 of 95 ± 8 total nearby water molecules were directly hydrogen-bound to the peptide. Finally, we show that immersing the peptide in water compressed its structure into the SAM surface. Together, these results demonstrate that there is sufficient water to fully hydrate a surface-bound peptide even at hydrophobic interfaces. Given the critical role that water plays in biomolecular structure and function, these results are expected to be informative for a broad array of applications involving proteins at the bio/abio interface.
We demonstrate, on a scramjet combustion problem, a constrained probabilistic learning approach that augments physics-based datasets with realizations that adhere to underlying constraints and scatter. The constraints are captured and delineated through diffusion maps, while the scatter is captured and sampled through a projected stochastic differential equation. The objective function and constraints of the optimization problem are then efficiently framed as non-parametric conditional expectations. Different spatial resolutions of a large-eddy simulation filter are used to explore the robustness of the model to the training dataset and to gain insight into the significance of spatial resolution on optimal design.
A series of titanium alkoxides ([Ti(OR)4] (OR = OCH(CH3)2 (OPri), OC(CH3)3 (OBut), and OCH2C(CH3)3 (ONep)) were modified with a set of substituted hydroxyl-benzaldehydes [HO-BzA-Lx: x = 1, 2-hydroxybenzaldehyde (L = H), 2-hydroxy-3-methoxybenzaldehyde (OMe-3), 5-bromo-2-hydroxybenzaldehyde (Br-5), 2-hydroxy-5-nitrobenzaldehyde (NO2-5); x = 2, 3,5-di-tert-butyl-2-hydroxybenzaldehyde (But-3,5), 2-hydroxy-3,5-diiodobenzaldehyde (I-3,5)] in pyridine (py). Instead of the expected simple substitution, each of the HO-BzA-Lx modifiers were reduced to their respective diol [(py)(OR)2Ti(κ2(O,μ-O')(OC6H4–x(CH2O)-2)(L)x] (OR = OPri, x = 1, L = H (1a), OMe-3 (2a), Br-5 (3a·py), NO2-5 (4a·4py); x = 2, But-3,5 (5a), I-3,5 (6a), ONep; x = 1, L = H (1b), OMe-3 (2b), Br-5 (3b·py), NO2-5 (4b); x = 2, But-3,5 (5b), I-3,5 (6b·py)), as identified by single crystal X-ray studies. The 1H NMR spectral data were complex at room temperature but simplified at high temperatures (70 °C). Diffusion ordered spectroscopy (DOSY) NMR experiments indicated that 2a maintained the dinuclear structure in a solution independent of the temperature, whereas 2b appears to be monomeric over the same temperature range. On the basis of additional NMR studies, the mechanism of the reduction of the HO-BzA-Lx to the dioxide ligand was thought to occur by a Meerwein–Pondorf–Verley (MPV) mechanism. The structures of 1a–6b appear to be the intermediate dioxide products of the MPV reduction, which became “trapped” by the Lewis basic solvate.
Since the landmark development of the Scherrer method a century ago, multiple generations of width methods for X-ray diffraction originated to non-invasively and rapidly characterize the property-controlling sizes of nanoparticles, nanowires, and nanocrystalline materials. However, the predictive power of this approach suffers from inconsistencies among numerous methods and from misinterpretations of the results. Therefore, we systematically evaluated twenty-two width methods on a representative nanomaterial subjected to thermal and mechanical loads. To bypass experimental complications and enable a 1:1 comparison between ground truths and the results of width methods, we produced virtual X-ray diffractograms from atomistic simulations. These simulations realistically captured the trends that we observed in experimental synchrotron diffraction. To comprehensively survey the width methods and to guide future investigations, we introduced a consistent, descriptive nomenclature. Alarmingly, our results demonstrated that popular width methods, especially the Williamson-Hall methods, can produce dramatically incorrect trends. We also showed that the simple Scherrer methods and the rare Energy methods can well characterize unloaded and loaded states, respectively. Overall, this work improved the utility of X-ray diffraction in experimentally evaluating a variety of nanomaterials by guiding the selection and interpretation of width methods.
Hermetic microcircuit packaging was the dominant method of protecting semiconductor devices in the 1960s and 1970s. After losing majority market sectors to plastic encapsulated microelectronics over the last a few decades, hermetic packaging remains the preferred method of protecting semiconductor devices for critical applications such as in military, space, and medical fields, where components and systems are required to serve for several decades. MEMS devices impose additional challenges to packaging by requiring specific internal cavity pressures to function properly or deliver the needed quality (Q) factors. In MEMS multichip modules, internal pressure requirement conflicts arise when different MEMS devices require different internal gases and pressures. The authors developed a closed-formed equation to model pressure changes of hermetic enclosures due to gas ingression. This article expands the authors mathematical model to calculate gas pressure of a MEMS multichip module package as well as those of MEMS devices inside the multichip module package. These equations are not only capable of calculating service lifetimes of MEMS devices and multi-chip modules but can also help develop MEMS device packaging strategies to extend the service life of MEMS multi-chip modules.
Hypersonic Vehicle (HV) development has been pursued since the late 1950s. These vehicles could significantly cut the cost of accessing space, lessen flight time anywhere on the planet to two to three hours, and be used as weapons that would be extremely difficult to intercept. Although considerable progress has been made, hypersonic flight remains in the development and testing phase.
Cytoskeletal filaments and motor proteins are critical components in the transport and reorganization of membrane-based organelles in eukaryotic cells. Previous studies have recapitulated the microtubule-kinesin transport system in vitro to dynamically assemble large-scale nanotube networks from multilamellar liposomes and polymersomes. Moving toward more biologically relevant systems, the present work examines whether lipid nanotube (LNT) networks can be generated from giant unilamellar vesicles (GUVs) and subsequently characterizes how the lipid composition may be tuned to alter the dynamics, structure, and fluidity of networks. Here, we describe a two-step process in which microtubule motility (i) drives the transport and aggregation of GUVs to form structures with a decreased energy barrier for LNT formation and (ii) extrudes LNTs without destroying parent GUVs, allowing for the formation of large LNT networks. We further show that the lipid composition of the GUV influences formation and morphology of the extruded LNTs and associated networks. For example, LNTs formed from phase-separated GUVs (e.g., liquid-solid phase-separated and coexisting liquid-ordered and liquid-disordered phase-separated) display morphologies related to the specific phase behavior reflective of the parent GUVs. Overall, the ability to form nanotubes from compositionally complex vesicles opens the door to generating lipid networks that more closely mimic the structure and function of those found in cellular systems.
The failure of 304L laser welds is of interest to system and component designers due to nuclear safety requirements for abnormal environments. Accurately modeling laser weld behavior in full system and component models has proven especially challenging due to three factors: the large variability observed in laser weld characterization tests; the difficulty in isolating the weld material for material characterization and modeling the weld material behavior; and the disparate scales associated with modeling laser welds in large systems. Recent work has shown that meso-scale geometric features of laser welds such as pores and weld root tortuosity are critical to accurately predicting the structural performance of welds. The challenge with modeling these welds is that the geometric features driving their structural performance are generally on the order of ten to hundreds of microns, but can affect the responses of interest in systems and components on the order of centimeters to meters.
Bennett, Nicole; Cuneo, Michael E.; Yu, Edmund; Jennings, Christopher A.; Laity, George; Hutsel, Brian T.; Peterson, Kyle; Welch, Dale R.; Rose, David V.; Hess, Mark H.; Moore, James M.
A challenge for the TW-class accelerators driving Z-pinch experiments, such as Sandia National Laboratories’ Z machine, is to efficiently couple power from multiple storage banks into a single multi-MA transmission line. The physical processes that lead to current loss are identified in new large-scale, multidimensional simulations of the Z machine. Kinetic models follow the range of physics occurring during a pulse, from vacuum pulse propagation to charged-particle emission and magnetically-insulated current flow to electrode plasma expansion. Simulations demonstrate that current is diverted from the load through a combination of standard transport (uninsulated charged-particle flows) and anomalous transport. Standard transport occurs in regions where the electrode current density is a few 104–105 A/cm2 and current is diverted from the load via transport without magnetic insulation. In regions with electrode current density >106 A/cm2, electrode surface plasmas develop velocity-shear instabilities and a Hall-field-related transport which scales with electron density and may, therefore, lead to increased current loss.
Soft matter has historically been an unlikely candidate for investigation by electron microscopy techniques due to damage by the electron beam as well as inherent instability under a high vacuum environment. Characterization of soft matter has often relied on ensemble-scattering techniques. The recent development of cryogenic transmission electron microscopy (cryo-TEM) provides the soft matter community with an exciting opportunity to probe the structure of soft materials in real space. Cryo-TEM reduces beam damage and allows for characterization in a native, frozen-hydrated state, providing direct visual representation of soft structure. This article reviews cryo-TEM in soft materials characterization and illustrates how it has provided unique insights not possible by traditional ensemble techniques. Soft matter systems that have benefited from the use of cryo-TEM include biological-based “soft” nanoparticles (e.g., viruses and conjugates), synthetic polymers, supramolecular materials as well as the organic–inorganic interface of colloidal nanoparticles. We conclude that while many challenges remain, such as combining structural and chemical analyses; the opportunity for soft matter research to leverage newly developed cryo-TEM techniques continues to excite.
X.509 certificate revocation defends against man-in-the-middle attacks involving a compromised certificate. Certificate revocation strategies face scalability, effectiveness, and deployment challenges as HTTPS adoption rates have soared. We propose Certificate Revocation Table (CRT), a new revocation strategy that is competitive with or exceeds alternative state-of-the-art solutions in effectiveness, efficiency, certificate growth scalability, mass revocation event scalability, revocation timeliness, privacy, and deployment requirements. The CRT design assumes that locality of reference applies to the certificates accessed by an organization. The CRT periodically checks the revocation status of X.509 certificates recently used by the organization. Pre-checking the revocation status of certificates the clients are likely to use avoids the security problems of on-demand certificate revocation checking. To validate both the effectiveness and efficiency of our approach, we simulated a CRT using 60 days of TLS traffic logs from Brigham Young University to measure the effects of actively refreshing revocation status information for various certificate working set window lengths. A working set window size of 45 days resulted in an average of 99.86% of the TLS handshakes having revocation information cached in advance. The CRT storage requirements are small. The initial revocation status information requires downloading a 6.7 MB file, and subsequent updates require only 205.1 KB of bandwidth daily. Updates that include only revoked certificates require just 215 bytes of bandwidth per day.
Impacts of silicon, carbon, and oxygen interfacial impurities on the performance of high-voltage vertical GaN-based p–n diodes are investigated. The results indicate that moderate levels (≈5 × 1017 cm-3) of all interfacial impurities lead to reverse blocking voltages (Vb) greater than 200 V at 1 μA cm-2 and forward leakage of less than 1 µA cm-2 at 1.7 V. At higher interfacial impurity levels, the performance of the diodes becomes compromised. Herein, it is concluded that each impurity has a different effect on the device performance. For example, a high carbon spike at the junction correlates with high off-state leakage current in forward bias (≈100× higher forward leakage current compared with a reference diode), whereas the reverse bias behavior is not severely affected (> 200 V at 1 μA cm-2). High silicon and oxygen spikes at the junction strongly affect the reverse leakage currents (≈ 1–10 V at 1 μA cm-2). Regrown diodes with impurity (silicon, oxygen, and carbon) levels below 5 × 1017 cm-3 show comparable forward and reverse results with the reference continuously grown diodes. The effect of the regrowth interface position relative to the metallurgical junction on the diode performance is also discussed.
Coherent elastic neutrino-nucleus scattering (CEvNS) is calculated to be the dominant neutrino scattering channel for neutrinos of energy Eν < 100 MeV. We report a limit for this process from data collected in an engineering run of the 29 kg CENNS-10 liquid argon detector located 27.5 m from the pion decay-at-rest neutrino source at the Oak Ridge National Laboratory Spallation Neutron Source (SNS) with 4.2 × 1022 protons on target. The dataset provided constraints on beam-related backgrounds critical for future measurements and yielded < 7.4 candidate CEvNS events which implies a cross section for the process, averaged over the SNS pion decay-at-rest flux, of < 3.4 × 10–39 cm2, a limit within twice the Standard Model prediction. This is the first limit on CEvNS from an argon nucleus and confirms the earlier CsI[Na] nonstandard neutrino interaction constraints from the collaboration. This run demonstrated the feasibility of the ongoing experimental effort to detect CEvNS with liquid argon.
The objective of this project was to increase the rate at which video data is processed using temporal frequency analysis. A common solution to increasing the speed of data processing is to increase the computing power of the system however size, weight and power (SWAP) constraints require computing power to be limited. This project focused on increasing the processing speed by reducing the expense of computing the Fourier Transform (FT).
In this technical note, we present the analysis and results of neutron data collected in 2018 at the Spallation Neutron Source (SNS) by the MARS neutron detector and spectrometer. MARS has been deployed at the SNS "neutrino alley' basement with the purposed of monitoring and characterizing the neutron backgrounds for the COHERENT collaboration. The measured beam neutron rates at the MARS deployment location near some of the COHERENT neutrinos detectors are presented and we discuss what the measured rate and spectra can tell us about the incoming beam neutron flux and energy distribution.
Herein is presented the synthesis and characterization of copper-intercalated zirconium pentatelluride (ZrTe5). ZrTe5:Cu0.05 crystals are synthesized by the chemical vapor transport method in a vacuum. X-ray diffraction and elemental analysis techniques are utilized to validate the synthesis. The results indicate that the intercalation of the layered Zr/Te structure with copper atoms causes the contraction of the unit cell along all three crystalline directions, the shrinkage of the overall volume of the unit cell, and the distortion of the unit cell. A single crystal was isolated, mechanically exfoliated, and used for the measurements of intercalation strains in a Hall bar device. Electronic transport studies indicate that an anomalous resistance drop is observed at T = 19 K. Furthermore, Rxx and Rxy results, respectively, indicate a probable disorder-induced localization effect and electron-type carriers.
Low energy ion scattering (LEIS) and direct recoil spectroscopy (DRS) are among the few experimental techniques that allow for the direct detection of hydrogen on a surface. The interpretation of LEIS and DRS measurements, however, is often made difficult by complexities that can arise from complicated scattering processes. Previously, these complexities were successfully navigated to identify the exact binding configurations of hydrogen on a few surfaces using a simple channeling model for the projectile ion along the surface. For the W(111) surface structure, this simple channeling model breaks down due to the large lateral atomic spacing on the surface and small interlayer spacing. Instead, our observed hydrogen recoil signal can only be explained by considering not just channeling along the surface but also scattering from subsurface atoms. Using this more complete model, together with molecular dynamics (MD) simulations, we determine that hydrogen adsorbs to the bond-centered site for the W(111)+H(ads) system. Additional MD simulations were performed to further constrain the adsorption site to a height h=1.0±0.1Å and a position dBC=1.6±0.1Å along the bond between neighbors in first and second layers. Our determination of the hydrogen adsorption site is consistent with density functional theory simulation results in the literature.