Technological advances have enabled exponential growth in both sensor data collection, as well as computational processing. However, as a limiting factor, the transmission bandwidth in between a space-based sensor and a ground station processing center has not seen the same growth. A resolution to this bandwidth limitation is to move the processing to the sensor, but doing so faces size, weight, and power operational constraints. Different physical constraints on processor manufacturing are spurring a resurgence in neuromorphic approaches amenable to the space-based operational environment. Here we describe historical trends in computer architecture and the implications for neuromorphic computing, as well as give an overview of how remote sensing applications may be impacted by this emerging direction for computing.
Michael E CuneoMichael E.; George R LaityGeorge R.; Allen C Robinson, 1. (01443); Tom Gardiner, 1.; Matt Bettencourt, 1.; John Shadid, 1.; Eric C Cyr, 1. (01442); Glen Hansen, 1. (01443); Clayton MyersClayton; Kyle Peterson, 1.; Kevin Leung, 1.; Dale Welch, 3.; David RoseDavid; Ryan D Mcbride Ryan (01680) D.; Sinars, Daniel B.
The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Departmentof Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel and Waste Disposition(SFWD) is conducting research and development (R&D) on deep geologic disposal of spentnuclear fuel (SNF) and high-level nuclear waste (HLW). R&D addressing the disposal ofSNF/HLW in the U.S. is currently generic (i.e., "non-site-specific") in scope, following thesuspension of the Yucca Mountain Repository Project in 2010. However, to prepare for theeventuality of a repository siting process, the former Used Fuel Disposition Campaign (UFDC) ofDOE-NE, which was succeeded by the SFWST Campaign, formulated an R&D Roadmap in 2012outlining generic R&D activities and their priorities appropriate for developing safety cases andassociated performance assessment (PA) models for generic deep geologic repositories in severalpotential host-rock environments in the contiguous United States. This 2012 UFDC Roadmap alsoidentified the importance of re-evaluating priorities in future years as knowledge is gained fromthe DOE's ongoing R&D activities.
In an ongoing project at Sandia National Laboratories, we are attempting to develop a novel style of superconducting digital processing, based on a new model of reversible computation called Asynchronous Ballistic Reversible Computing (ABRC). We envision an approach in which polarized flux-ons scatter elastically from near-lossless functional components, reversibly updating the local digital state of the circuit, while dissipating only a small fraction of the input fluxon energy. This approach to superconducting digital computation is sufficiently unconventional that an appropriate methodology for hand-design of such circuits is not immediately obvious. To gain insight into the design principles that are applicable in this new domain, we are creating a software tool to automatically enumerate possible topologies of reactive, undamped Josephson junction circuits, and sweep the parameter space of each circuit searching for designs exhibiting desired dynamical behaviors. But first, we identified by hand a circuit implementing the simplest possible nontrivial ABRC functional behavior with bits encoded as conserved polarized fluxons, namely, a one-bit reversible memory cell with one bidirectional I/O port. We expect the tool to be useful for designing more complex circuits.
Dodin, I.Y.; Ruiz, Daniel E.; Yanagihara, K.; Zhou, Y.; Kubo, S.
This work opens a series of papers where we develop a general quasi-optical theory for mode-converting electromagnetic beams in plasma and implement it in a numerical algorithm. Here, the basic theory is introduced. We consider a general quasimonochromatic multicomponent wave in a weakly inhomogeneous linear medium with no sources. For any given dispersion operator that governs the wave field, we explicitly calculate the approximate operator that governs the wave envelope ψ to the second order in the geometrical-optics parameter. Then, we further simplify this envelope operator by assuming that the gradient of ψ transverse to the local group velocity is much larger than the corresponding parallel gradient. This leads to a parabolic differential equation for ψ ("quasioptical equation") on the basis of the geometrical-optics polarization vectors. Scalar and mode-converting vector beams are described on the same footing. We also explain how to apply this model to electromagnetic waves in general. In the next papers of this series, we report successful quasioptical modeling of radio frequency wave beams in magnetized plasma based on this theory.
This document is a summary of the R&D activities associated with the Engineered Barrier Systems Work Package. Multiple facets of Engineered Barrier Systems (EBS) research were examined in the course of FY19 activities. This report is focused on delivering an update on the status and progress of modelling tools and experimental methods, both of which are essential to understanding and predicting long-term repository performance as part of the safety case. Specifically, the work described herein aims to improve understanding of EBS component evolution and interactions. Ultimately, the EBS Work Package is working towards producing process models for distinct processes that can either be incorporated into performance assessment (PA), or provide critical information for implementing better constraints on barrier performance. The main objective of this work is that the models being developed and refined will either be implemented directly into the Geologic Disposal Safety Assessment (GDSA) platform, or can otherwise be indirectly linked to the performance assessment by providing improved bounding conditions. In either the case, the expectation is that validated modelling tools will be developed that provide critical input to the safety case.
The goal of the ExaWind project is to enable predictive simulations of wind farms comprised of many megawatt-scale turbines situated in complex terrain. Predictive simulations will require computational fluid dynamics (CFD) simulations for which the mesh resolves the geometry of the turbines and captures the rotation and large deflections of blades. Whereas such simulations for a single turbine are arguably petascale class, multi-turbine wind farm simulations will require exascale-class resources. The primary physics codes in the ExaWind project are Nalu-Wind, which is an unstructured-grid solver for the acoustically incompressible Navier-Stokes equations, and OpenFAST, which is a whole-turbine simulation code. The Nalu-Wind model consists of the mass-continuity Poisson-type equation for pressure and a momentum equation for the velocity. For such modeling approaches, simulation times are dominated by linear-system setup and solution for the continuity and momentum systems. For the ExaWind challenge problem, the moving meshes greatly affect overall solver costs as reinitialization of matrices and recomputation of preconditioners is required at every time step. This milestone represents an effort to increase the fidelity of Nalu-Wind at a fixed resolution through the implementation of a tensor-product based, matrix-free high order scheme. High order finite element methods have increased local work per datum communicated and have the potential to provide significantly more accurate solutions at a fixed number of degrees of freedom. Previous to this milestone, Nalu-Wind had an arbitrary order Control Volume Finite Element Method discretization as a solver option, but it required too much memory and was too slow to be of practical use. The work in this milestone addresses these issues by first implementing an implicit, high order solver that only partially assembles the global system. This reduces the memory footprint of the high-order scheme by orders of magnitude for higher polynomial orders. Second, a faster, tensor-product based method for evaluating the action of the left-hand side was implemented. This reduces the amount of computational work required by the scheme and dramatically enhanced the time-to-solution on example problems. Finally, this milestone is an evaluation of the value of high order methods in the wind application space. With the enhancements to memory and computational cost, accuracy vs. time-to-solution was evaluated for several resolutions on an under-resolved Taylor Green vortex test case. Results show that the high order scheme is cost-competitive with the production low-order schemes in Nalu-Wind, being moderately more expensive than the production edge-based vertex centered finite volume scheme. The evaluation of accuracy on the test case shows a potential benefit to high order at the highest resolution while not deteriorating accuracy on the lowest tested resolution. More work is needed to show value in the wind application, but positive strides have been made.
The equation of state (EOS) of bulk niobium (Nb) was investigated within the framework of density functional theory, with Mermin's generalization to finite temperatures. The shock Hugoniot for fully-dense and porous Nb was obtained from canonical ab initio molecular dynamics simulations with Erpenbeck's approach based on the Rankine-Hugoniot jump conditions. The phase space was sampled along isotherms between 300 and 4000 K, for densities ranging from ρ=5.5 to 12 g/cm3. Results from simulations compare favorably with room-temperature multianvil and diamond anvil cell data for fully-dense Nb samples and with a recent tabulated SESAME EOS. The results of this study indicate that, for the application of weak and intermediate shocks, the tabular EOS models are expected to give reliable predictions.
Structural defects can determine and influence various properties of materials, and many technologies rely on the manipulation of defects (e.g., semiconductor industries). In biological systems, management of defects/errors (e.g. DNA repair) is critical to an organism's survival, which has inspired the design of artificial nanomachines that mimic nature's ability to detect defects and repair damage. Biological motors have captured considerable attention in developing such capabilities due to their ability to convert energy into directed motion in response to environmental stimuli, which maximizes their ability for detection and repair. The objective of the present study was to develop an understanding of how the presence of non-bonding domains, here considered as a "defect", in microtubule (MT) building blocks affect the kinesin-driven, active assembly of MT spools. The assembly/joining of micron-scale bonding (i.e., biotin-containing) and non-bonding (i.e., no biotin) MTs resulted in segmented MT building blocks consisting of alternating bonding and non-bonding domains. Here, the introduction of these MT building blocks into a kinesin gliding motility assay along with streptavidin-coated quantum dots resulted in the active assembly of spools with altered morphology but retained functionality. Moreover, it was noted that non-bonding domains were autonomously and preferentially released from the spools over time, representing a mechanism by which defects may be removed from these structures. Overall, our findings demonstrate that this active assembly system has an intrinsic ability for quality control, which can be potentially expanded to a wide range of applications such as self-regulation and healing of active materials.
Meshfree methods for solid mechanics have been in development since the early 1990's. Initial motivations included alleviation of the burden of mesh creation and the desire to overcome the limitations of traditional mesh-based discretizations for extreme deformation applications. Here, the accuracy and robustness of both mesh-free and meshbased Lagrangian discretizations are compared using manufactured extreme-deformation fields. For the meshfree discretizations, both moving least squares and maximum entropy are considered. Quantitative error and convergence results are presented for the best approximation in the H1 norm.
The four key emission models necessary for B-dot cavity physics and DSMC (Direct Simulation Monte Carlo) collision models for Argon background gas have been implemented and tested. A series of B-dot simulations have been performed with vacuum, gas fill, and gas fill with space-charge limited emission models. Results are being validated against NIF experimental data. These were presented at the mid-term panel review. The ATS-1 L2 milestone is dependent on this milestone and is similarly on track. The mid-term review occurred at SNL on 5/15/2019. Target problems at the requisite scale and of interest to this Milestone have been defined and will be run during Q4.
Morozov, Yurii V.; Zhang, Shubin; Janko, Boldizsar; Melgaard, S.; Bender, Daniel A.; Davis, E.J.; Pauzauskie, Peter J.; Kuno, Masaru
Five years ago, Xiong and co-workers reported the net laser cooling of a CdS nanobelt, which seemed to be the remarkable conclusion to a 16-year search for ways to successfully cool a semiconductor using light. Furthermore, as we describe below, there are questions and concerns about this study that cast doubts on its validity.
During the 2016 NSTX-U experimental campaign, locked modes in the plasma edge presented clear evidence of the presence of error fields. Extensive metrology and plasma response modeling with IPEC and M3D-C1 have been conducted to understand the various sources of error fields in NSTX-U as built in 2016, and to determine which of these sources have the greatest effect on the plasma. In particular, modeling finds that the error field from misalignment of the toroidal field (TF) coils may have a significant effect on the plasma. The response to the TF error field is shown to depend on the presence of a q = 1 surface, in qualitative agreement with experimental observations. It is found that certain characteristics of the TF error field present new challenges for error field correction. Specifically, the error field spectrum differs significantly from that of coils on the low-field side (such as the NSTX-U error field correction coils), and does not resonate strongly with the dominant kink mode, thus potentially requiring a multi-mode correction. Furthermore, to mitigate heat fluxes using poloidal flux expansion, the pitch angle at the divertor plates must be small (∼). It is shown that uncorrected error fields may result in potentially significant local perturbation to the pitch angle. Estimates for coil alignment tolerances in NSTX-U are derived based on consideration of both heat flux and core resonant fields independently.
Nanoparticle (NP) high pressure behavior has been extensively studied over the years. In this review, we summarize recent progress on the studies of pressure induced NP phase behavior, property, and applications. This review starts with a brief overview of high pressure characterization techniques, coupled with synchrotron X-ray scattering, Raman, fluorescence, and absorption. Then, we survey the pressure induced phase transition of NP atomic crystal structure including size dependent phase transition, amorphization, and threshold pressures using several typical NP material systems as examples. Next, we discuss the pressure induced phase transition of NP mesoscale structures including topics on pressure induced interparticle separation distance, NP coupling, and NP coalescence. Pressure induced new properties and applications in different NP systems are highlighted. Finally, outlooks with future directions are discussed.
The phonon, infrared, and Raman spectroscopic properties of zirconium tungsten phosphate, Zr2(WO4)(PO4)2 (space group Pbcn, IT No. 60; Z = 4), have been extensively investigated using density functional perturbation theory (DFPT) calculations with the Perdew, Burke, and Ernzerhof exchange-correlation functional revised for solids (PBEsol) and validated by experimental characterization of Zr2(WO4)(PO4)2 prepared by hydrothermal synthesis. Using DFPT-simulated infrared, Raman, and phonon density-of-state spectra combined with Fourier transform infrared and Raman measurements, new comprehensive and extensive assignments have been made for the spectra of Zr2(WO4)(PO4)2, resulting in the characterization of its 29 and 34 most intense IR- and Raman-active modes, respectively. DFPT results also reveal that ν1(PO4) symmetric stretching and ν3(PO4) antisymmetric stretching bands have been interchanged in previous Raman experimental assignments. Negative thermal expansion in Zr2(WO4)(PO4)2 appears to have very limited impact on the spectral properties of this compound. This work shows the high accuracy of the PBEsol exchange-correlation functional for studying the spectroscopic properties of crystalline materials using first-principles methods.
Although SABLE supports a wide variety of variable outputs as a default, the code currently does not readily support outputs of custom variables via the 'plot variables' feature in its input file. Workarounds to this issue exist (such as using `spy'), but the distinct convenience and advantage that the 'plot variables' feature provides, such as easy output of results in .exo file format, disappear. The user may explore the source code to correct this issue, but due to the ongoing nature of code building and complexity of the code spanning multiple languages and layers, exploration and correction of the code can be prohibitively difficult. In this memo, a short guide to modify the code to output desired custom variables via 'plot variables' is listed along with an example variable that evaluates the velocity profile before remapping (VELOCITY PREMAP).
Hansen, Stephanie B.; Chung, H.K.; Fontes, Christopher J.; Ralchenko, Yu; Scott, H.A.; Stambulchik, E.
This work reports on the results of the 10th Non-LTE code comparison workshop, which was held at the University of San Diego campus November 28 through December 1, 2017. Non-equilibrium collisional-radiative models predict the electronic state populations and attendant emission and absorption characteristics of hot, dense matter and are used to help design and diagnose high-energy-density experiments. At this workshop, fifteen codes from eleven institutions contributed results for steady-state and time-dependent neon, aluminum, silicon, and chlorine cases relevant to a variety of high-density experimental and radiation-driven astrophysical systems. We focus on differences in the predictions from codes with different internal structure, completeness, density effects, and rate fidelity and the impact of those differences on hot, dense plasma diagnostics.
The National Rotor Testbed (NRT) is a wind turbine blade research program in the Sandia National Laboratories (SNL) Wind Department that has developed a new blade design. Each blade includes bonded-in, threaded metal root inserts that enable the blades to be bolted onto the wind turbine hub. Prior to installing the flight blades on the turbine, root insert strength verification tests exhibited a subset of failures below the design load on one (NRT-02) of four blades. As part of a root cause analysis for the failures, this work analyzes "scraps" of the epoxy adhesive used to bond the metal inserts into the blade and uses surface topography and x-ray fluorescence (XRF) measurements to characterize the exterior surface of the root insert. Samples were taken from inserts that exhibited both high and low loads at failure, as well as some "control inserts" to monitor the state of the surface throughout the manufacturing process. Differences in the calorimetric response of the adhesive from the separate root inserts are apparent but none of them appear to relate to the pull load required to dislodge the inserts. Two takeaways of note include: In the way that the adhesive is processed, it does not reach full cure; and, Something occurred to sample#10 such that the fully-cured adhesive has a significantly lower Tg.
Active surface acoustic wave components have the potential to transform RF front ends by consolidating functionalities that currently occur across multiple chip technologies, leading to reduced insertion loss from converting back and forth between acoustic and electronic domains in addition to improved size and power efficiency. This letter demonstrates a significant advance in these active devices with a compact, high-gain, and low-power leaky surface acoustic wave amplifier based on the acoustoelectric effect. Devices use an acoustically thin semi-insulating InGaAs surface film on a YX lithium niobate substrate to achieve exceptionally high acoustoelectric interaction strength via an epitaxial In0.53Ga0.47As(P)/InP quaternary layer structure and wafer-scale bonding. We demonstrate 1.9 dB of gain per acoustic wavelength and power consumption of 90 mW for 30 dB of electronic gain. Despite the strong intrinsic leaky propagation loss, 5 dB of terminal gain is obtained for a semiconductor that is only 338 μm long due to state-of-the-art heterogenous integration and an improved material platform.
The non-classical linear Boltzmann equation (NCLBE) is a recently developed framework based on non-classical transport theory for modeling the expected value of particle flux in an arbitrary stochastic medium. Provided with a non-classical cross-section for a given statistical description of a medium, any transport problem in that medium may be solved. Previous work has been limited in the types of material variability considered and has not explicitly introduced finite boundaries and sources. In this work the solution approach for the NCLBE in multidimensional media with finite boundaries is outlined. The discrete ordinates method with an implicit discretization of the pathlength variable is used to leverage sweeping methods for the transport operator. In addition, several convenient approximations for non-classical cross-sections are introduced based on existing theories of stochastic media. The solution approach is verified against random realizations of a Gaussian process medium in a square enclosure.
Su, Yi H.; Chou, Kuan Y.; Chuang, Yen; Lu, Tzu-Ming L.; Li, Jiun Y.
We investigate the effects of surface tunneling on electrostatics and transport properties of two-dimensional electron gases (2DEGs) in undoped Si/SiGe heterostructures with different 2DEG depths. By varying the gate voltage, four stages of density-mobility dependence are identified with two density saturation regimes observed, which confirms that the system transitions between equilibrium and nonequilibrium. Mobility is enhanced with an increasing density at low biases and, counterintuitively, with a decreasing density at high biases as well. The density saturation and mobility enhancement can be semiquantitatively explained by a surface tunneling model in combination with a bilayer screening theory.
Pressure-driven assembly of ligand-grafted gold nanoparticle superlattices is a promising approach for fabricating gold nanostructures, such as nanowires and nanosheets. Optimizing this fabrication method will require extending our understanding of superlattice mechanics to regimes of high pressures. We use molecular dynamics simulations to characterize the response of alkanethiol-grafted gold nanoparticle superlattices to applied hydrostatic pressures up to 15 GPa. At low applied pressures, intrinsic voids govern the mechanics of compaction. As applied pressures increase, the void collapse and ligand compression depend significantly on the ligand length. These microstructural observations correlate directly with trends in bulk modulus and elastic constants. For short ligands, core-core contact between gold nanoparticles is observed at high pressures, which augurs irreversible response and eventual sintering. This presintering behavior was unexpected under hydrostatic loading and is observed only for the shortest ligands.
Hyperspectral imaging is a spectroscopic imaging technique that allows for the creation of images with pixels containing information from multiple spectral bands. At terahertz wavelengths, it has emerged as a prominent tool for a number of applications, ranging from nonionizing cancer diagnosis and pharmaceutical characterization to nondestructive artifact testing. Contemporary terahertz imaging systems typically rely on nonlinear optical downconversion of a fiber-based near-infrared femtosecond laser, requiring complex optical systems. Here, we demonstrate hyperspectral imaging with chip-scale frequency combs based on terahertz quantum cascade lasers. The dual combs are freerunning and emit coherent terahertz radiation that covers a bandwidth of 220 GHz at 3.4 THz with ~10 µW per line. The combination of the fast acquisition rate of dual-comb spectroscopy with the monolithic design, scalability, and chip-scale size of the combs is highly appealing for future imaging applications in biomedicine and the pharmaceutical industry.
A prominent nonlinear optical phenomenon that is extensively studied using nanostructured materials is second-harmonic generation (SHG) as it has applications in various fields. Achieving efficient SHG from a nanostructure requires a large second-order nonlinear susceptibility of the material system and large electromagnetic fields. For practical applications, the nanostructures should also have low losses, high damage thresholds, large bandwidths, wavelength scalability, dual mode operation in transmission and reflection, monolithic integrability, and ease of fabrication. While various approaches have demonstrated efficient SHG, to the best of our knowledge, none have demonstrated all these desired qualities simultaneously. Here, we present a hybrid approach for realizing efficient SHG in an ultrathin dielectric-semiconductor nonlinear device with all the above-mentioned desired properties. Our approach uses high quality factor leaky mode resonances in dielectric metasurfaces that are coupled to intersubband transitions of semiconductor quantum wells. Using our device, we demonstrate SHG at pump wavelengths ranging from 8.5 to 11 μm, with a maximum second-harmonic nonlinear conversion factor of 1.1 mW/W2 and maximum second-harmonic conversion efficiency of 2.5 × 10-5 at modest pump intensities of 10 kW/cm2. Our results open a new direction for designing low loss, broadband, and efficient ultrathin nonlinear optical devices.
This specification defines the minimum requirements for the manufacture, performance, and acceptance of a 10 kA Pulsed High Power Calibration System capable of output pulsed current with durations ranging from 1us to 100 us and currents ranging from 0.1 Amperes to 10,000 Amperes.
We propose an anomaly detection method for multi-variate scientific data based on analysis of high-order joint moments. Using kurtosis as a reliable measure of outliers, we suggest that principal kurtosis vectors, by analogy to principal component analysis (PCA) vectors, signify the principal directions along which outliers appear. The inception of an anomaly, then, manifests as a change in the principal values and vectors of kurtosis. Obtaining the principal kurtosis vectors requires decomposing a fourth order joint cumulant tensor for which we use a simple, computationally less expensive approach that involves performing a singular value decomposition (SVD) over the matricized tensor. We demonstrate the efficacy of this approach on synthetic data, and develop an algorithm to identify the occurrence of a spatial and/or temporal anomalous event in scientific phenomena. The algorithm decomposes the data into several spatial sub-domains and time steps to identify regions with such events. Feature moment metrics, based on the alignments of the principal kurtosis vectors, are computed at each sub-domain and time step for all features to quantify their relative importance towards the overall kurtosis in the data. Accordingly, spatial and temporal anomaly metrics for each sub-domain are proposed using the Hellinger distance of the feature moment metric distribution from a suitable nominal distribution. We apply the algorithm to two turbulent auto-ignition combustion cases and demonstrate that the anomaly metrics reliably capture the occurrence of auto-ignition in relevant spatial sub-domains at the right time steps.
Foam materials are extensively utilized in aerospace, military, and transportation applications to mitigate blast or shock impact. When foam materials are subjected to an external high-speed impact, shock, or blast loading, an elastic wave or shock wave will form and propagate through the thickness of the foam materials. In this study, silicone foam pads, which were confined laterally and pre-strained to different levels, were experimentally characterized and theoretically analyzed to understand their effects on wave propagation characteristics under impact loading. Depending on impact velocity, either an elastic strain wave or a shock wave would be generated in the silicone foam pad with different pre-strains. Above a certain impact velocity, a shock wave will be generated whereas, below this threshold impact velocity, an elastic strain wave will be generated. This threshold impact velocity depends on the pre-strain applied to the silicone foam pad. Equations are provided to estimate the wave propagation speed for either an elastic or a shock wave from the amount of pre-strain in the silicone foam pads and the impact velocity. These equations are expected to help improve silicone foam design and assembly processes for shock or blast mitigation applications.
Large scale molecular dynamics simulations are used to study drying suspensions of a binary mixture of large and small particles in explicit and implicit solvents. The solvent is first modeled explicitly and then mapped to a uniform viscous medium by matching the diffusion coefficients and the pair correlation functions of the particles. "Small-on-top" stratification of the particles, with an enrichment of the smaller ones at the receding liquid-vapor interface during drying, is observed in both models under the same drying conditions. With the implicit solvent model, we are able to model much thicker films and study the effect of the initial film thickness on the final distribution of particles in the dry film. Our results show that the degree of stratification is controlled by the Péclet number defined using the initial film thickness as the characteristic length scale. When the Péclet numbers of large and small particles are much larger than 1, the degree of "small-on-top" stratification is first enhanced and then weakens as the Péclet numbers are increased.
Experiments, modeling and simulation were used to study the nonlinear dynamics of a jointed-structure in a shock tube. The structure was a full-span square cylinder with internal bolted connections excited by fluid loading. The width-based Reynolds number was ≈105. The cylinder was exposed to an impulsive force associated with the incident shock followed by transverse loading imposed by vortex shedding. In the experiment, aerodynamic loading was characterized with high-speed pressure sensitive paint (PSP). Digital image correlation (DIC) concurrently measured the structural response. The maximum displacement occurred when the vortex shedding frequency most closely matched the structural mode of the beam associated with a rocking motion at the joint. A finite element model was developed using Abaqus, where the nonlinear contact dynamics of the joint were simulated using Coulomb friction. The PSP data loaded the model and the interaction was treated as one-way coupled. The simulations well-matched the trends observed in the experiment. Overall, the root-mean-square values of the transverse displacement agreed to within 24% of the experiment. The modeling showed rocking about the joint during vortex shedding was critical to the nonlinear damping and energy dissipation in the structure. We conclude this campaign highlights the importance of jointed-connections to energy dissipation in structures under aerodynamic loading.
We present results from an experimental technique used to estimate the strength of Ta at extreme pressures (150 GPa) and strain rates (107s-1). A graded-density impactor (GDI) was fabricated using sputter deposition to produce an approximately 40-μm-thick film containing alternating layers of Al and Cu. The thicknesses of the respective layers are adjusted to give an effective density gradient through the film. The GDIs were launched with a 2-stage light gas gun, and shock-ramp-release velocity profiles were measured over timescales of ∼10 ns. Results are presented for the direct impact of the film onto LiF windows, which allows for a dynamic characterization of the GDI, as well as from impact onto thin (∼40μm) sputtered Ta samples backed by a LiF window. The measurements were coupled with mesoscale numerical simulations to infer the strength of Ta, and the results agree well with other high-pressure platforms, particularly when strain-rate, microstructural, and thermodynamic-path differences are considered.
Semiconductor nanomaterials with controlled morphologies and architectures are of critical importance for high-performance optoelectronic devices. However, the fabrication of such nanomaterials on polymer-based flexible electrodes is particularly challenging due to degradation of the flexible electrodes at a high temperature. Here we report the fabrication of nickel oxide nanopillar arrays (NiOx NaPAs) on a flexible electrode by vapor deposition, which enables highly efficient perovskite solar cells (PSCs). The NiOx NaPAs exhibit an enhanced light transmittance for light harvesting, prohibit exciton recombination, promote irradiation-generated hole transport and collection, and facilitate the formation of large perovskite grains. These advantageous features result in a high efficiency of 20% and 17% for the rigid and flexible PSCs, respectively. Additionally, the NaPAs show no cracking after 500 times of bending, consistent with the mechanic simulation results. This robust fabrication opens a new opportunity for the fabrication of a large area of high-performance flexible optoelectronic devices.
Reactive rare-earth / transition metal multilayers exhibit a variety of complex reaction behaviors depending on surrounding gaseous environment and material design. Small period (< 100 nm bilayer), 5 gm-thick Sc/Ag multilayers undergo self-sustained formation reactions when ignited in air or in vacuum. High-speed videography reveals unstable reaction waves in these samples, characterized by the repeated, transverse passage of narrow, spin bands. Intermediate Sc/Ag designs — with multilayer period between 100 and 200 nm — only react in air. These multilayers exhibit propagating reactions with alternating unstable and stable characteristics. Narrow, spin bands advance the reaction front stepwise. Soon after the passage of a transverse band, a trailing oxidation wave encroaches on the intermetallic reaction front temporarily pushing the stalled wave forward in a uniform manner. Viewed in full, these events repeat giving rise to a new oscillatory behavior. Sc/Ag multilayers having a large period (> 200 nm bilayer) also react exclusively in air but exhibit a different propagating mode. The oxidation of Sc combined with the exothermic reaction of metal species results in continually-stable waves characterized by a smooth wavefront morphology and uniform velocity. The flame temperatures associated with propagating waves are estimated using measured heats of reaction and enthalpy-temperature relationships in order to provide insight into the possible phase transformations that occur during these different exothermic reactions.
Modelling and Simulation in Materials Science and Engineering
Ragasa, Eugene J.; O'Brien, Christopher J.; Hennig, Richard G.; Foiles, Stephen M.; Phillpot, Simon R.
The parameterization of a functional form for an interatomic potential is treated as a problem in multi-objective optimization. An autonomous, machine-learning approach based on the identification of the Pareto hypersurface of errors in predicted properties allows the development of an ensemble of parameterizations with high materials fidelity and robustness. The efficacy of this approach is illustrated for the simple example of a Buckingham potential for MgO. This approach also provides a strong foundation for uncertainty quantification of potential parameterizations.
The following interim report describes updates to ongoing international collaboration activities pertaining the FEBEX-DP and DECOVALEX Task C projects. Descriptions of these underground research laboratory (URL) activities are given in Jové Coke et al. (2018) but will repeated here for completeness. The 2018 status of work conducted at Sandia National Laboratories (SNL) on these two activities has been described in Jové Coke et al. (2018) and were summarized along with other international collaboration activities in Birkholzer et al. (2018).
Trust in a microelectronics-based system can be characterized as the level of confidence that a system is free of subversive alterations made during system development, or that the development process of a system has not been manipulated by a malicious adversary. Trust in systems has become an increasing concern over the past decade. This article presents a novel game-theoretic framework, called GPLADD (Graph-based Probabilistic Learning Attacker and Dynamic Defender), for analyzing and quantifying system trustworthiness at the end of the development process, through the analysis of risk of development-time system manipulation. GPLADD represents attacks and attacker-defender contests over time. It treats time as an explicit constraint and allows incorporating the informational asymmetries between the attacker and defender into analysis. GPLADD includes an explicit representation of attack steps via multi-step attack graphs, attacker and defender strategies, and player actions at different times. GPLADD allows quantifying the attack success probability over time and the attacker and defender costs based on their capabilities and strategies. This ability to quantify different attacks provides an input for evaluation of trust in the development process. We demonstrate GPLADD on an example attack and its variants. We develop a method for representing success probability for arbitrary attacks and derive an explicit analytic characterization of success probability for a specific attack. We present a numeric Monte Carlo study of a small set of attacks, quantify attack success probabilities, attacker and defender costs, and illustrate the options the defender has for limiting the attack success and improving trust in the development process.
Crystal plasticity-finite element method (CP-FEM) is now widely used to understand the mechanical response of polycrystalline materials. However, quantitative mesh convergence tests and verification of the necessary size of polycrystalline representative volume elements (RVE) are often overlooked in CP-FEM simulations. Mesh convergence studies in CP-FEM models are more challenging compared to conventional finite element analysis (FEA) as they are not only computationally expensive but also require explicit discretization of individual grains using many finite elements. Resolving each grains within a polycrystalline domain complicates mesh convergence study since mesh convergence is strongly affected by the initial crystal orientations of grains and local loading conditions. In this work, large-scale CP-FEM simulations of single crystals and polycrystals are conducted to study mesh sensitivity in CP-FEM models. Various factors that may affect the mesh convergence in CP-FEM simulations, such as initial textures, hardening models and boundary conditions are investigated. In addition, the total number of grains required to obtain adequate RVE is investigated. Furthermore, this work provides a list of guidelines for mesh convergence and RVE generation in CP-FEM modeling.
Meshfree discretization of surface partial differential equations is appealing, due to their ability to naturally adapt to deforming motion of the underlying manifold. In this work, we consider an existing scheme proposed by Liang et al. reinterpreted in the context of generalized moving least squares (GMLS), showing that existing numerical analysis from the GMLS literature applies to their scheme. With this interpretation, their approach may then be unified with recent work developing compatible meshfree discretizations for the div-grad problem in Rd. Informally, this is analogous to an extension of collocated finite differences to staggered finite difference methods, but in the manifold setting and with unstructured nodal data. In this way, we obtain a compatible meshfree discretization of elliptic problems on manifolds which is naturally stable for problems with material interfaces, without the need to introduce numerical dissipation or local enrichment near the interface. As a result, we provide convergence studies illustrating the high-order convergence and stability of the approach for manufactured solutions and for an adaptation of the classical five-strip benchmark to a cylindrical manifold.
This report presents a discussion of processes relevant in a repository for heat-generating waste in geologic salt, from the point of view of coupled process models. This report is in essentially an update of Kuhlman, in light of recent R&D in the DOE Office of Nuclear Energy (DOENE) Salt Disposal Research and Development program, including the heater test being planned at the Waste Isolation Pilot Plant (WIPP).
The safety case for deep borehole disposal of nuclear wastes contains a safety strategy, an assessment basis, and a safety assessment. The safety strategy includes strategies for management, siting and design, and assessment. The assessment basis considers site selection, pre-closure, and post-closure, which includes waste and engineered barriers, the geosphere/natural barriers, and the biosphere and surface environment. The safety assessment entails a pre-closure safety analysis, a post-closure performance assessment, and confidence enhancement analyses. This paper outlines the assessment basis and safety assessment aspects of a deep borehole disposal safety case. The safety case presented here is specific to deep borehole disposal of Cs and Sr capsules, but is generally applicable to other waste forms, such as spent nuclear fuel. The safety assessments for pre-closure and post-closure are briefly summarized from other sources; key issues for confidence enhancement are described in greater detail. These confidence enhancement analyses require building the technical basis for geologically old, reducing, highly saline brines at the depth of waste emplacement, and using reactive-transport codes to predict their movement in post-closure. The development and emplacement of borehole seals above the waste emplacement zone is also important to confidence enhancement.
Bias. It’s a word that makes most of us squirm. Bias implies to us that we are “bad people” and are being accused of deliberately discriminating against others. Yet, if you ask a social scientist, you will find that it doesn't mean that at all; implicit bias is a neurologically based, energy-saving short cut. Our brains apply mental models to make thousands of quick decisions every day: which brand of milk to buy at the store or when to turn the wheel to avoid a traffic accident. Lastly, we form our implicit biases subconsciously over time, influenced by our upbringing, societal norms, and life experiences.
Subterranean energy releases such as explosions and earthquakes may disturb the Earth-atmosphere interface, creating acoustic waves that can travel great distances. These waves provide a record of the ground motion directly above the event. The information they encode may provide critical insight into the depth and size of underground explosions, the sequence of events immediately before volcanic eruptions, and the magnitude of strong motion resulting from earthquakes. However, the effect of event size and burial depth on the resulting acoustic wave has not been explored in detail. Here, the relationship between acoustic amplitude, frequency, and energy is investigated for a series of well-characterized underground chemical explosions in granite. Acoustic amplitude was found to vary linearly with explosive yield divided by emplacement depth. Peak acoustic frequency appears to be a function of explosive yield alone. The ratio of radiated acoustic energy to source energy had a relatively poor fit to yield, depth, and combinations thereof. These relationships suggest that acoustic analysis can be used to determine the size and depth of a buried explosion. The results presented here have particular relevance to the nuclear monitoring community, because depth is difficult to determine with seismic methods.
Algal biomass is a proposed feedstock for sustainable production of petroleum displacing commodities. However, production of 10% of US demand for liquid transportation fuel from algae would require a 60–150% increase over current agricultural demand for phosphorus fertilizers. Without efforts to recycle major nutrients, algal biomass production can be expected to catalyze a food versus fuel crisis. We have developed a novel and simple process for efficient liberation of phosphate from algal biomass and have demonstrated recycling at both laboratory and pilot scale, of up to 70% of total cellular phosphate from osmotically-shocked but non-denatured Microchloropsis salina biomass using a range of mild incubation conditions. The phosphate released in this process is bioavailable, can support the same level of algal growth as standard nutrients, and does not contain any growth inhibitory compounds as evidenced by its ability to support multiple sequential cycles of growth and remineralization.
Successful system protection is critical to the performance of the DC microgrid system. This paper proposes an adaptive droop based fault current control for a standalone low voltage (LV) solar-photovoltaic (PV) based DC microgrid protection. In the proposed method, a DC microgrid fault is detected by the current and voltage thresholds. Generally, the droop method is used to control the power sharing between the converters by controlling the reference voltage. In this paper, this scheme is extended to control the fault current by calculating an adaptive virtual resistance Rdroop, and to control the converter output reference voltage. This effectively controls the converter pulse width, and reduces the flow of source current from a particular converter which helps to increase the fault clearing time. Additionally, a trip signal is sent to the corresponding DC circuit breaker (DCCB), to isolate the faulted converter, feeder or a DC bus. The design procedure is detailed, and the effectiveness of proposed method is verified by simulation analysis.
Metamaterials research has developed perfect absorbers from microwave to optical frequencies, mainly featuring planar metamaterials, also referred to as metasurfaces. In this study, we investigated vertically oriented metamaterials, which make use of the entire three-dimensional space, as a new avenue to widen the spectral absorption band in the infrared regime between 20 and 40 THz. Vertically oriented metamaterials, such as those simulated in this work, can be experimentally realized through membrane projection lithography, which allows a single unit cell to be decorated with multiple resonators by exploiting the vertical dimension. In particular, we analyzed the cases of a unit cell containing a single vertical split-ring resonator (VSRR), a single planar split-ring resonator (PSRR), and both a VSRR and PSRR to explore intra-cell coupling between resonators. We show that the additional degrees of freedom enabled by placing multiple resonators in a unit cell lead to novel ways of achieving omnidirectional super absorption. Our results provide an innovative approach for controlling and designing engineered nanostructures.
AlGaN-channel high electron mobility transistors (HEMTs) were operated as visible- and solar-blind photodetectors by using GaN nanodots as an optically active floating gate. The effect of the floating gate was large enough to switch an HEMT from the off-state in the dark to an on-state under illumination. This opto-electronic response achieved responsivity > 108 A/W at room temperature while allowing HEMTs to be electrically biased in the offstate for low dark current and low DC power dissipation. The influence of GaN nanodot distance from the HEMT channel on the dynamic range of the photodetector was investigated, along with the responsivity and temporal response of the floating gate HEMT as a function of optical intensity. The absorption threshold was shown to be controlled by the AlN mole fraction of the HEMT channel layer, thus enabling the same device design to be tuned for either visible- or solar-blind detection.