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At least 343 records · Page 19

Predicting Nanoparticle Suspension Viscoelasticity for Multimaterial 3D Printing of Silica–Titania Glass

A lack of predictive methodology is frequently a major bottleneck in materials development for additive manufacturing. Hence, exploration of new printable materials often relies on the serendipity of trial and error approaches, which is time-consuming, labor-intensive, and costly. In this paper, we present an approach to overcome these issues by quantifying and controlling the viscoelasticity of inks for multimaterial 3D printing of silica–titania glass using direct ink writing (DIW). We formulate simple silica and silica–titania inks from a suspension of fumed silica nanoparticles in an organic solvent with a dissolved molecular titania precursor. We use a small set of experimental rheological data and estimates of interaction potentials from colloidal theory to develop a predictive tool that allows us to design and obtain compatible inks that are matched both in desired rheological properties (viscosity profiles and elastic modulus) as well as solids loading. The model incorporates silica particle volume fraction, particle size, particle size distribution, and titania precursor concentration, and captures the effects of all formulation parameters on the measured viscoelasticity in a single curve. We validate the ink formulations predicted by the model and find that the materials can be very well matched in rheological properties as desired for 3D printing. Using the DIW and heat treatment methods we have reported previously, we use these inks to print and process a fully transparent glass with spatial change in dopant composition and refractive index. Finally, we believe that this approach can be extended to other colloidal systems and allow predictive ink formulation design for desired printability in direct ink write manufacturing.

36 MATERIALS SCIENCE↗

On Automating Failure Mode Analysis and Enforcing its Integrity

This paper reports our experience on the development of a design-for-safety (DFS) workbench called Risk Assessment and Management Environment (RAME) for microelectronic avionics systems. Our objective is to transform DFS practice from an ad-hoc, inefficient, error-prone approach to a stringent engineering process such that DFS can keep up with the rapidly growing complexity of avionics systems. In particular, RAME is built upon an information infrastructure that comprises a fault model, a knowledge base, and a failure reporting/tracking system. This infrastructure permits systematic learning from prior projects and enables the automation of failure modes, effects and criticality analysis (FMECA). Among other unique features, the most important advantage of RAME is its capability of directly accepting design source code in hardware description languages (HDLs) for automated failure mode analysis, which enables RAME to be compatible and to evolve with most electronic-computer-aided-design systems. Through an initial experimental evaluation of the RAME prototype, we show that our approach to FMECA automation improves failure mode analysis turn-around-time, completeness, and accuracy.

design for safety↗

Toward Unified Satellite Climatology of Aerosol Properties. 3. MODIS Versus MISR Versus AERONET

We use the full duration of collocated pixel-level MODIS-Terra and MISR aerosol optical thickness (AOT) retrievals and level 2 cloud-screened quality-assured AERONET measurements to evaluate the likely individual MODIS and MISR retrieval accuracies globally over oceans and land. We show that the use of quality-assured MODIS AOTs as opposed to the use of all MODIS AOTs has little effect on the resulting accuracy. The MODIS and MISR relative standard deviations (RSTDs) with respect to AERONET are remarkably stable over the entire measurement record and reveal nearly identical overall AOT performances of MODIS and MISR over the entire suite of AERONET sites. This result is used to evaluate the likely pixel-level MODIS and MISR performances on the global basis with respect to the (unknown) actual AOTs. For this purpose, we use only fully compatible MISR and MODIS aerosol pixels. We conclude that the likely RSTDs for this subset of MODIS and MISR AOTs are 73% over land and 30% over oceans. The average RSTDs for the combined [AOT(MODIS)+AOT(MISR)]/2 pixel-level product are close to 66% and 27%, respectively, which allows us to recommend this simple blend as a better alternative to the original MODIS and MISR data. These accuracy estimates still do not represent the totality of MISR and quality-assured MODIS pixel-level AOTs since an unaccounted for and potentially significant source of errors is imperfect cloud screening. Furthermore, many collocated pixels for which one of the datasets reports a retrieval, whereas the other one does not may also be problematic.

Mishchenko, Michael I.↗

Computational Particle Dynamic Simulations on Multicore Processors (CPDMu) Final Report Phase I

Statement of Problem - Department of Energy has many legacy codes for simulation of computational particle dynamics and computational fluid dynamics applications that are designed to run on sequential processors and are not easily parallelized. Emerging high-performance computing architectures employ massively parallel multicore architectures (e.g., graphics processing units) to increase throughput. Parallelization of legacy simulation codes is a high priority, to achieve compatibility, efficiency, accuracy, and extensibility. General Statement of Solution - A legacy simulation application designed for implementation on mainly-sequential processors has been represented as a graph G. Mathematical transformations, applied to G, produce a graph representation {und G} for a high-performance architecture. Key computational and data movement kernels of the application were analyzed/optimized for parallel execution using the mapping G {yields} {und G}, which can be performed semi-automatically. This approach is widely applicable to many types of high-performance computing systems, such as graphics processing units or clusters comprised of nodes that contain one or more such units. Phase I Accomplishments - Phase I research decomposed/profiled computational particle dynamics simulation code for rocket fuel combustion into low and high computational cost regions (respectively, mainly sequential and mainly parallel kernels), with analysis of space and time complexity. Using the research team's expertise in algorithm-to-architecture mappings, the high-cost kernels were transformed, parallelized, and implemented on Nvidia Fermi GPUs. Measured speedups (GPU with respect to single-core CPU) were approximately 20-32X for realistic model parameters, without final optimization. Error analysis showed no loss of computational accuracy. Commercial Applications and Other Benefits - The proposed research will constitute a breakthrough in solution of problems related to efficient parallel computation of particle and fluid dynamics simulations. These problems occur throughout DOE, military and commercial sectors: the potential payoff is high. We plan to license or sell the solution to contractors for military and domestic applications such as disaster simulation (aerodynamic and hydrodynamic), Government agencies (hydrological and environmental simulations), and medical applications (e.g., in tomographic image reconstruction). Keywords - High-performance Computing, Graphic Processing Unit, Fluid/Particle Simulation. Summary for Members of Congress - Department of Energy has many simulation codes that must compute faster, to be effective. The Phase I research parallelized particle/fluid simulations for rocket combustion, for high-performance computing systems.

97 MATHEMATICS AND COMPUTING↗

ALPS: A Linear Program Solver

ALPS is a computer program which can be used to solve general linear program (optimization) problems. ALPS was designed for those who have minimal linear programming (LP) knowledge and features a menu-driven scheme to guide the user through the process of creating and solving LP formulations. Once created, the problems can be edited and stored in standard DOS ASCII files to provide portability to various word processors or even other linear programming packages. Unlike many math-oriented LP solvers, ALPS contains an LP parser that reads through the LP formulation and reports several types of errors to the user. ALPS provides a large amount of solution data which is often useful in problem solving. In addition to pure linear programs, ALPS can solve for integer, mixed integer, and binary type problems. Pure linear programs are solved with the revised simplex method. Integer or mixed integer programs are solved initially with the revised simplex, and the completed using the branch-and-bound technique. Binary programs are solved with the method of implicit enumeration. This manual describes how to use ALPS to create, edit, and solve linear programming problems. Instructions for installing ALPS on a PC compatible computer are included in the appendices along with a general introduction to linear programming. A programmers guide is also included for assistance in modifying and maintaining the program.

Ferencz, Donald C.↗

Method and apparatus for decoding compatible convolutional codes

This invention relates to learning decoders for decoding compatible convolutional codes. The decoder decodes signals which have been encoded by a convolutional coder and allows performance near the theoretical limit of performance for coded data systems. The decoder includes a sub-bit shift register wherein the received sub-bits are entered after regeneration and shifted in synchronization with a clock signal recovered from the received sub-bit stream. The received sub-bits are processed by a sub-bit decision circuit, entered into a sub-bit shift register, decoded by a decision circuit, entered into a data shift register, and updated to reduce data errors. The bit decision circuit utilizes stored sub-bits and stored data bits to determine subsequent data-bits. Data errors are reduced by using at least one up-date circuit.

Doland, G. D.↗

Establishing a process of irradiating small animal brain using a CyberKnife and a microCT scanner

Purpose: Establish and validate a process of accurately irradiating small animals using the CyberKnife G4 System (version 8.5) with treatment plans designed to irradiate a hemisphere of a mouse brain based on microCT scanner images. Methods: These experiments consisted of four parts: (1) building a mouse phantom for intensity modulated radiotherapy (IMRT) quality assurance (QA), (2) proving usability of a microCT for treatment planning, (3) fabricating a small animal positioning system for use with the CyberKnife's image guided radiotherapy (IGRT) system, and (4)in vivo verification of targeting accuracy. A set of solid water mouse phantoms was designed and fabricated, with radiochromic films (RCF) positioned in selected planes to measure delivered doses. After down-sampling for treatment planning compatibility, a CT image set of a phantom was imported into the CyberKnife treatment planning system—MultiPlan (ver. 3.5.2). A 0.5 cm diameter sphere was contoured within the phantom to represent a hemispherical section of a mouse brain. A nude mouse was scanned in an alpha cradle using a microCT scanner (cone-beam, 157 × 149 pixels slices, 0.2 mm longitudinal slice thickness). Based on the results of our positional accuracy study, a planning treatment volume (PTV) was created. A stereotactic body mold of the mouse was “printed” using a 3D printer laying UV curable acrylic plastic. Printer instructions were based on exported contours of the mouse's skin. Positional reproducibility in the mold was checked by measuring ten CT scans. To verify accurate dose delivery in vivo, six mice were irradiated in the mold with a 4 mm target contour and a 2 mm PTV margin to 3 Gy and sacrificed within 20 min to avoid DNA repair. The brain was sliced and stained for analysis. Results: For the IMRT QA using a set of phantoms, the planned dose (6 Gy to the calculation point) was compared to the delivered dose measured via film and analyzed using Gamma analysis (3% and 3 mm). A passing rate of 99% was measured in areas of above 40% of the prescription dose. The final inverse treatment plan was comprised of 43 beams ranging from 5 to 12.5 mm in diameter (2.5 mm size increments are available up to 15 mm in diameter collimation). Using the Xsight Spine Tracking module, the CyberKnife system could not reliably identify and track the tiny mouse spine; however, the CyberKnife system could identify and track the fiducial markers on the 3D mold.In vivo positional accuracy analysis using the 3D mold generated a mean error of 1.41 mm ± 0.73 mm when fiducial markers were used for position tracking. Analysis of the dissected brain confirmed the ability to target the correct brain volume. Conclusions: With the use of a stereotactic body mold with fiducial markers, microCT imaging, and resolution down-sampling, the CyberKnife system can successfully perform small-animal radiotherapy studies.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

On Neural Architectures for Astronomical Time-series Classification with Application to Variable Stars

Despite the utility of neural networks (NNs) for astronomical time-series classification, the proliferation of learning architectures applied to diverse data sets has thus far hampered a direct intercomparison of different approaches. Here we perform the first comprehensive study of variants of NN-based learning and inference for astronomical time series, aiming to provide the community with an overview on relative performance and, hopefully, a set of best-in-class choices for practical implementations. In both supervised and self-supervised contexts, we study the effects of different time-series-compatible layer choices, namely the dilated temporal convolutional neural network (dTCNs), long-short term memory NNs, gated recurrent units and temporal convolutional NNs (tCNNs). Additionally, we also study the efficacy and performance of encoder-decoder (i.e., autoencoder) networks compared to direct classification networks, different pathways to include auxiliary (non-time-series) metadata, and different approaches to incorporate multi-passband data (i.e., multiple time series per source). Performance—applied to a sample of 17,604 variable stars (VSs) from the MAssive Compact Halo Objects (MACHO) survey across 10 imbalanced classes—is measured in training convergence time, classification accuracy, reconstruction error, and generated latent variables. We find that networks with recurrent NNs generally outperform dTCNs and, in many scenarios, yield to similar accuracy as tCNNs. In learning time and memory requirements, convolution-based layers perform better. We conclude by discussing the advantages and limitations of deep architectures for VS classification, with a particular eye toward next-generation surveys such as the Legacy Survey of Space and Time, the Roman Space Telescope, and Zwicky Transient Facility.

79 ASTRONOMY AND ASTROPHYSICS↗

Design Rules for Two–Dimensional Organic Semiconductor–Incorporated Perovskites (OSiP) Gleaned from Thousands of Simulated Structures

Two-dimensional (2D) halide perovskites are an attractive class of hybrid perovskites that have additional optoelectronic tunability due to their accommodation of relatively large organic ligands. Nevertheless, contemporary ligand design depends on either expensive trial-and-error testing of whether a ligand can be integrated within the lattice or conservative heuristics that unduly limit the scope of ligand chemistries. Here, the structural determinants of stable ligand incorporation within Ruddlesden-Popper (RP) phase perovskites are established by molecular dynamics (MD) simulations of over ten-thousand RP-phase perovskites and training of machine learning classifiers capable of predicting structural stability based solely on generalizable ligand features. The simulation results show near-perfect predictions of positive and negative literature examples, predict trade-offs between several ligand features and stability, and ultimately predict an inexhaustibly large 2D-compatible ligand design-space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modified optimal control pilot model for computer-aided design and analysis

This paper presents the theoretical development of a modified optimal control pilot model based upon the optimal control model (OCM) of the human operator developed by Kleinman, Baron, and Levison. This model is input compatible with the OCM and retains other key aspects of the OCM, such as a linear quadratic solution for the pilot gains with inclusion of control rate in the cost function, a Kalman estimator, and the ability to account for attention allocation and perception threshold effects. An algorithm designed for each implementation in current dynamic systems analysis and design software is presented. Example results based upon the analysis of a tracking task using three basic dynamic systems are compared with measured results and with similar analyses performed with the OCM and two previously proposed simplified optimal pilot models. The pilot frequency responses and error statistics obtained with this modified optimal control model are shown to compare more favorably to the measured experimental results than the other previously proposed simplified models evaluated.

Davidson, John B.↗

Earth Mover’s Distance as a Metric to Evaluate the Extent of Charge Transfer in Excitations Using Discretized Real-Space Densities

This paper presents a novel theoretical measure, μ EMD , based on the earth mover's distance (EMD), for quantifying the density shift caused by electronic excitations in molecules. As input, the EMD metric uses only the discretized ground- and excited-state electron densities in real space, rendering it compatible with almost all electronic structure methods used to calculate excited states. The EMD metric is compared against other popular theoretical metrics for describing the extent of electron-hole separation in a wide range of excited states (valence, Rydberg, charge transfer, etc.). Further, the results showcase the EMD metric's effectiveness across all excitation types and suggest that it is useful as an additional tool to characterize electronic excitations. The study also reveals that μ EMD can function as a promising diagnostic tool for predicting the failure of pure exchange-correlation functionals. Specifically, we show statistical relationships among the functional-driven errors, the exact exchange content within the functional, and the magnitude of μ EMD values.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Software Supports Distributed Operations via the Internet

Multi-mission Encrypted Communication System (MECS) is a computer program that enables authorized, geographically dispersed users to gain secure access to a common set of data files via the Internet. MECS is compatible with legacy application programs and a variety of operating systems. The MECS architecture is centered around maintaining consistent replicas of data files cached on remote computers. MECS monitors these files and, whenever one is changed, the changed file is committed to a master database as soon as network connectivity makes it possible to do so. MECS provides subscriptions for remote users to automatically receive new data as they are generated. Remote users can be producers as well as consumers of data. Whereas a prior program that provides some of the same services treats disconnection of a user from the network of users as an error from which recovery must be effected, MECS treats disconnection as a nominal state of the network: This leads to a different design that is more efficient for serving many users, each of whom typically connects and disconnects frequently and wants only a small fraction of the data at any given time.

Norris, Jeffrey↗

Rate-compatible protograph LDPC code families with linear minimum distance

Digital communication coding methods are shown, which generate certain types of low-density parity-check (LDPC) codes built from protographs. A first method creates protographs having the linear minimum distance property and comprising at least one variable node with degree less than 3. A second method creates families of protographs of different rates, all having the linear minimum distance property, and structurally identical for all rates except for a rate-dependent designation of certain variable nodes as transmitted or non-transmitted. A third method creates families of protographs of different rates, all having the linear minimum distance property, and structurally identical for all rates except for a rate-dependent designation of the status of certain variable nodes as non-transmitted or set to zero. LDPC codes built from the protographs created by these methods can simultaneously have low error floors and low iterative decoding thresholds, and families of such codes of different rates can be decoded efficiently using a common decoding architecture.

Divsalar, Dariush↗

Determining the bubble nucleation efficiency of low-energy nuclear recoils in superheated C 3 F 8 dark matter detectors

The bubble nucleation efficiency of low-energy nuclear recoils in superheated liquids plays a crucial role in interpreting results from direct searches for weakly interacting massive particle (WIMP) dark matter. Here, the PICO collaboration presents the results of the efficiencies for bubble nucleation from carbon and fluorine recoils in superheated C 3 F 8 from calibration data taken with five distinct neutron spectra at various thermodynamic thresholds ranging from 2.1 to 3.9 keV. Instead of assuming any particular functional forms for the nuclear recoil efficiency, a generalized piecewise linear model is proposed with systematic errors included as nuisance parameters to minimize model-introduced uncertainties. A Markov chain Monte Carlo routine is applied to sample the nuclear recoil efficiency for fluorine and carbon at 2.45 and 3.29 keV thermodynamic thresholds simultaneously. The nucleation efficiency for fluorine was found to be ≥ 50% for nuclear recoils of 3.3 keV (3.7 keV) at a thermodynamic Seitz threshold of 2.45 keV (3.29 keV), and for carbon the efficiency was found to be ≥ 50% for recoils of 10.6 keV (11.1 keV) at a threshold of 2.45 keV (3.29 keV). Simulated datasets are used to calculate a p value for the fit, confirming that the model used is compatible with the data. The fit paradigm is also assessed for potential systematic biases, which although small, are corrected for. Additional steps are performed to calculate the expected interaction rates of WIMPs in the PICO-60 detector, a requirement for calculating WIMP exclusion limits.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

On the feasibility of real-time prediction of aircraft carrier motion at sea

Landing aircraft on board carriers is a most delicate phase of flight operations at sea. The ability to predict the aircraft carrier's motion over an interval of several seconds within reasonable error bounds may allow an improvement in touchdown dispersion and reduce the value of the ramp clearance due to a smoother aircraft trajectory. Also, improved information to the landing signal officer should decrease the number of waveoffs substantially. This paper indicates and shows quantitatively that, based upon the power density spectrum data for pitch and heave measured for various ships and sea conditions, the motion can be predicted well, for up to 15 s. Moreover, the zero crossover times for both pitch and heave motions can be predicted with impressive accuracy. The predictor was designed on the basis of Kalman's optimum filtering theory (the discrete time case), being compatible with real-time digital computer operation.

Sidar, M. M.↗

EVOLUTION OF GALAXY LUMINOSITY FUNCTION USING PHOTOMETRIC REDSHIFTS

We examine the impact of using photometric redshifts for studying the evolution of both the global galaxy luminosity function (LF) and that for different galaxy types. To this end, we compare the LFs obtained using photometric redshifts from the Canada-France-Hawaii Telescope Legacy Survey (CFHTLS) D1 field with those from the spectroscopic survey VIMOS VLT Deep Survey (VVDS) comprising {approx}4800 galaxies. We find that for z {<=} 2.0, in the interval of magnitudes considered by this survey, the LFs obtained using photometric and spectroscopic redshifts show a remarkable agreement. This good agreement led us to use all four Deep fields of the CFHTLS comprising {approx}386,000 galaxies to compute the LF of the combined fields and directly estimate the error in the parameters based on the field-to-field variation. We find that the characteristic absolute magnitude M* of Schechter fits fades by {approx}0.7 mag from z {approx} 1.8 to z {approx} 0.3, while the characteristic density {phi}* increases by a factor of {approx}4 in the same redshift interval. We use the galaxy classification provided by the template fitting program used to compute photometric redshifts and split the sample into galaxy types. We find that these Schechter parameters evolve differently for each galaxy type, an indication that their evolution is a combination of several effects: galaxy merging, star formation quenching, and mass assembly. All these results are compatible with those obtained by different spectroscopic surveys such as VVDS, DEEP2, and zCosmos, which reinforces the fact that photometric redshifts can be used to study galaxy evolution, at least for the redshift bins adopted so far. This is of great interest since future very large imaging surveys containing hundreds of millions of galaxies will allow us to obtain important precise measurements to constrain the evolution of the LF and to explore the dependence of this evolution on morphology and/or color helping constrain the mechanisms of galaxy evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

Sampling and Representativeness for a Spaceborne Wind Lidar

The capability of an Earth-orbiting lidar to produce a reliable windfield sampling with an error of 1-3 ms(exp -1) and that is relevant to numerical forecasting and climate studies is discussed. The spatial and temporal resolutions range from 100 km to 1000 km and 3 hr to 1 month respectively. In this respect cloud obstruction is of great concern, as it can prevent the lidar probing whole parts of the atmosphere, for both short and long periods of time. A worldwide analysis of cloudiness from either visual observations made from the ground or else from the Stratospheric Aerosol and Gas Experiment (SAGE) instrument, has shown that the average cloud cover is 60 percent. This analysis is only valid at large scales (time and space) compatible with the currently operating satellites. However, a lidar footprint is only about a hundred meters or less, and it was observed from ground based lidars that, even when the cloudiness is 100 percent, some lidar shots get through. A complete analysis of the probability of probing through clouds by a spaceborne lidar is presently beyond our capacities. Hence, no small scale cloudiness data set is yet available representing all kinds of meteorological situations at all latitudes.

Lieutaud, F.↗

Analog Techniques for Measuring the Frequency Response of Linear Physical Systems Excited by Frequency-Sweep Inputs

Data-reduction methods using general-purpose analog computer equipment and compatible testing techniques for determining the frequency response of linear physical systems are examined. The techniques considered may be classed as steady state or transient depending on the method of excitation. The relative merits of periodic, slow sweep, and transient (rapid sweep) forcing functions are discussed and applications are given that relate to dynamic-response tests of aeroelastic systems. Two frequency-sweep-input methods are considered in detail. one case the sweep rate is sufficiently slow that the response is approximately the same as that for steady-state conditions. With this input the frequency response can be evaluated and displayed in real time while the test is in progress. Errors due to treating sweep data as steady state can be eliminated, when desired, by reanalyzing tape-recorded time histories of the input and output as transient rather than as periodic data. In the second method the frequency-response function is deter- mined from the system's transient response to a very rapid sweep input. The purpose of frequency sweep in this case is to provide sufficient harmonic content in the input to overcome noise while keeping the test time as short as possible. tests and limited flight-test data presented herein, it appears that a transient-type rapid-sweep forcing function offers a considerable saving in test time while preserving the accuracy possible with steady-state sinusoidal inputs.

Wilmer H. Reed III↗