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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 811 records · Page 45

A Preprocessing Tool for Enhanced Ion Mobility–Mass Spectrometry-Based Omics Workflows

The ability to improve the data quality of ion mobility–mass spectrometry (IM-MS) measurements is of great importance for enabling modular and efficient computational workflows and gaining better qualitative and quantitative insights from complex biological and environmental samples. We developed the PNNL PreProcessor, a standalone and user-friendly software housing various algorithmic implementations to generate new MS-files with enhanced signal quality and in the same instrument format. Different experimental approaches are supported for IM-MS based on Drift-Tube (DT) and Structures for Lossless Ion Manipulations (SLIM), including liquid chromatography (LC) and infusion analyses. The algorithms extend the dynamic range of the detection system, while reducing file sizes for faster and memory-efficient downstream processing. Specifically, multidimensional smoothing improves peak shapes of poorly defined low-abundance signals, and saturation repair reconstructs the intensity profile of high-abundance peaks from various analyte types. Further, other functionalities are data compression and interpolation, IM demultiplexing, noise filtering by low intensity threshold and spike removal, and exporting of acquisition metadata. Several advantages of the tool are illustrated, including an increase of 19.4% in lipid annotations and a two-times faster processing of LC-DT IM-MS data-independent acquisition spectra from a complex lipid extract of a standard human plasma sample. The software is freely available at https://omics.pnl.gov/software/pnnl-preprocessor.

59 BASIC BIOLOGICAL SCIENCES↗

A Review of Discrete Element Method (DEM) Particle Shapes and Size Distributions for Lunar Soil

As part of ongoing efforts to develop models of lunar soil mechanics, this report reviews two topics that are important to discrete element method (DEM) modeling the behavior of soils (such as lunar soils): (1) methods of modeling particle shapes and (2) analytical representations of particle size distribution. The choice of particle shape complexity is driven primarily by opposing tradeoffs with total number of particles, computer memory, and total simulation computer processing time. The choice is also dependent on available DEM software capabilities. For example, PFC2D/PFC3D and EDEM support clustering of spheres; MIMES incorporates superquadric particle shapes; and BLOKS3D provides polyhedra shapes. Most commercial and custom DEM software supports some type of complex particle shape beyond the standard sphere. Convex polyhedra, clusters of spheres and single parametric particle shapes such as the ellipsoid, polyellipsoid, and superquadric, are all motivated by the desire to introduce asymmetry into the particle shape, as well as edges and corners, in order to better simulate actual granular particle shapes and behavior. An empirical particle size distribution (PSD) formula is shown to fit desert sand data from Bagnold. Particle size data of JSC-1a obtained from a fine particle analyzer at the NASA Kennedy Space Center is also fitted to a similar empirical PSD function.

Lane, John E.↗

Numerical Simulation of the Current–Voltage Characteristics of Bilayer Resistive Memory Based on Non-Stoichiometric Metal Oxides

The current–voltage characteristics of a resistive-memory structure based on non-stoichiometric tantalum oxides is numerically simulated. The results of pulsed studies of structures with different shapes of the conductive filament, such as a truncated cone with different generatrix inclination angles, are presented. It is shown how the shape and total volume of the conductive filament affects the current amplitude and the number of pulses necessary for complete filament breaking and restoration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Multi-Frequency Analysis of Simulated versus Observed Variability in Tropospheric Temperature

Studies seeking to identify a human-caused global warming signal generally rely on climate model estimates of the “noise” of intrinsic natural variability. Assessing the reliability of these noise estimates is of critical importance. We evaluate here the statistical significance of differences between climate model and observational natural variability spectra for global-mean mid- to upper-tropospheric temperature (TMT). We use TMT information from satellites and large multimodel ensembles of forced and unforced simulations. Our main goal is to explore the sensitivity of model-versus-data spectral comparisons to a wide range of subjective decisions. These include the choice of satellite and climate model TMT datasets, the method for separating signal and noise, the frequency range considered, and the statistical model used to represent observed natural variability. Of particular interest is the amplitude of the interdecadal noise against which an anthropogenic tropospheric warming signal must be detected. We find that on time scales of 5–20 years, observed TMT variability is (on average) overestimated by the last two generations of climate models participating in the Coupled Model Intercomparison Project. This result is relatively insensitive to different plausible analyst choices, enhancing confidence in previous claims of detectable anthropogenic warming of the troposphere and indicating that these claims may be conservative. A further key finding is that two commonly used statistical models of short-term and long-term memory have deficiencies in their ability to capture the complex shape of observed TMT spectra.

54 ENVIRONMENTAL SCIENCES↗

Building a Long-Lived 3D Multimode Quantum Processing Unit with TESLA Cavities

Superconducting radio-frequency (SRF) cavities, such as TESLA-shaped cavities, are excellent candidates for long-lived quantum memories. Integrating these cavities with nonlinear elements, such as transmons, enables universal quantum control; however, this integration can often introduce unwanted losses. In this talk, we present the successful integration of a long-lived 2-cell TESLA cavity with an ancillary qubit, forming a quantum processing unit (QPU) that allows for robust control while maintaining coherence. We demonstrate universal control of the QPU through various schemes, including ancilla-cavity sideband and echoed conditional displacement (ECD) methods, enabling fault-tolerant high-fidelity preparation of large Fock states and fast entanglement generation. These results illustrate the versatility and efficiency of our 3D quantum processing unit, paving the way for advanced quantum computing applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Inferences About the Early Moon From Gravity and Topography

Recent spacecraft missions to the Moon have significantly improved our knowledge of the lunar gravity and topography fields, and have raised some new and old questions about the early lunar history. It has frequently been assumed that the shape of the Moon today reflects an earlier equilibrium state and that the Moon has retained some internal strength. Recent analysis indicating a superisostatic state of some lunar basins lends support to this hypothesis. On its simplest level, the present shape of the Moon is slightly flattened by 2.2 +/- 0.2 km while its gravity field, represented by an equipotential surface, is flattened only about 0.5 km. The hydrostatic component to the flattening arising from the Moon's present day rotation contributes only 7 m. This difference between the topographic shape of the MOon and the shape of its gravitational equipotential has frequently been explained as the "memory" of an earlier moon that was rotating faster and had a correspondingly larger hydrostatic flattening. To obtain this amount of hydrostatic flattening from rotation alone, and accounting for the contribution of the present-day gravity field, the Moon's rotation rate would need to be about 15x greater than at present, leading ot a period of < 2 days. Maintaining its synchronous rotation with Earth would require a radius for the Moon's orbit of approximately 9 Earth Radii. Unfortunately, our confidence in the observed lunar flattening is not as great as we would like. The uncertainty of .02 km may not properly reflect the limitations of the Clementine dataset, which did not sample poleward of latitudes 81 N and 79 S. Also, the large variation of topography +/- 8 km seen on the MOon dwarfs our estimate fo the flattening. Further the lunar south pole is on the edge of, or possibly inside the massive deep, South Pole-Aitken Basin. Thus, polar radii could be underestimated. This would yield a smaller flattening, which would imply a greater lunar rotation period and orbital radius. However, Basin compensation states and analyses of support and relaxation of topography at long wavelengths point to a lunar shape that has retained a flattening from an earlier faster rotation period.

Smith, D. E.↗

Throughput Analytics of Data Transfer Infrastructures

To support increasingly distributed scientific and big-data applications, powerful data transfer infrastructures are being built with dedicated networks and software frameworks customized to distributed file systems and data transfer nodes. The data transfer performance of such infrastructures critically depends on the combined choices of file, disk, and host systems as well as network protocols and file transfer software, all of which may vary across sites. The randomness of throughput measurements makes it challenging to assess the impact of these choices on the performance of infrastructure or its parts. We propose regression-based throughput profiles by aggregating measurements from sites of the infrastructure, with RTT as the independent variable. The peak values and convex-concave shape of a profile together determine the overall throughput performance of memory and file transfers, and its variations show the performance differences among the sites. We then present projection and difference operators, and coefficients of throughput profiles to characterize the performance of infrastructure and its parts, including sites and file transfer tools. In particular, the utilization-concavity coefficient provides a value in the range [0, 1] that reflects overall transfer effectiveness. We present results of measurements collected using (i) testbed experiments over dedicated 0–366 ms 10 Gbps connections with combinations of TCP versions, file systems, host systems and transfer tools, and (ii) Globus GridFTP transfers over production infrastructure with varying site configurations.

Rao, Nageswara S.↗

Inferences About the Early Moon from Gravity and Topography

Recent spacecraft missions to the Moon have significantly improved our knowledge of the lunar gravity and topography fields and have raised some new and old questions about the early lunar history. It has frequently been assumed that the shape of the Moon today reflects an earlier equilibrium state and that the Moon has retained some internal strength. Recent analysis indicating a superisostatic state of some lunar basins lends support to this hypothesis. On its simplest level the present shape of the Moon is slightly flattened by 2.2 +/- 0.2 km while its gravity field, represented by an equipotential surface, is flattened only about 0.5 km. The hydrostatic component to the flattening arising from the Moon's present-day rotation contributes only 7 m. This difference between the topographic shape of the Moon and the shape of its gravitational equipotential has frequently been explained as the "memory" of an earlier Moon that was rotating faster and had a correspondingly larger hydrostatic flattening. To obtain this amount of hydrostatic flattening from rotation alone, and accounting for the contribution of the present-day gravity field, the Moon's rotation rate would need to be about 15 times greater than at present leading to a period of under 2 days. Maintaining its synchronous rotation with Earth would require a radius for the Moon's orbit of order 9 earth radii. Unfortunately, our confidence in the observed lunar flattening is not as great as we would like.

Smith, David E.↗

Revisiting the Analytical Solutions of Heat Transport in Fractured Reservoirs Using a Generalized Multirate Memory Function

Numerous analytical solutions have been developed for modeling thermal perturbations to underground formations caused by deep-well injection of fluids. Each solution has been derived for a specific boundary value problem and a simplified flow network with one set of parallel fractures. In this paper, new generalized solutions G*( x, s ) are developed using (existing) global transfer functions G$^*_0(x,s)$ and a new memory function g*( s ), where x and s are the space and Laplace variable. The memory function represents the solutions of conductive heat exchange between fractures and matrix blocks and between fractured aquifers and unfractured aquitards. The memory function is developed to account for multirate exchange induced by different shapes, sizes, properties, and volumetric fractions of matrix blocks bounded by multiple sets of orthogonal fractures with different spacing. The global transfer functions represent the fundamental solutions to convective, convective-conductive, and convective-dispersive heat transport in fractures (or aquifers) without exchange and are available for various (1-D linear, 1-D radial, 2-D dipole, and single-well injection-withdrawal) flow fields. The new solutions with exchange are developed using $G^*(x,s) = B^*(s)G^*_0{x, s[1 + Θg^*(s)]}$, thereby greatly simplifying solution development in a novel way, where Θ and B*( s ) are a fracture-matrix scaling factor and the boundary condition function. As a result, the new solutions are applied to several example problems, showing that heat transport in fractured aquifers is significantly impacted by (1) thermal dispersion in fractures that is rarely considered, (2) multirate heat exchange with a wide range of size and anisotropy of rectangular matrix blocks, and (3) heat exchange between aquifers and aquitards.

58 GEOSCIENCES↗

Three-dimensional aerodynamic shape optimization using discrete sensitivity analysis

An aerodynamic shape optimization procedure based on discrete sensitivity analysis is extended to treat three-dimensional geometries. The function of sensitivity analysis is to directly couple computational fluid dynamics (CFD) with numerical optimization techniques, which facilitates the construction of efficient direct-design methods. The development of a practical three-dimensional design procedures entails many challenges, such as: (1) the demand for significant efficiency improvements over current design methods; (2) a general and flexible three-dimensional surface representation; and (3) the efficient solution of very large systems of linear algebraic equations. It is demonstrated that each of these challenges is overcome by: (1) employing fully implicit (Newton) methods for the CFD analyses; (2) adopting a Bezier-Bernstein polynomial parameterization of two- and three-dimensional surfaces; and (3) using preconditioned conjugate gradient-like linear system solvers. Whereas each of these extensions independently yields an improvement in computational efficiency, the combined effect of implementing all the extensions simultaneously results in a significant factor of 50 decrease in computational time and a factor of eight reduction in memory over the most efficient design strategies in current use. The new aerodynamic shape optimization procedure is demonstrated in the design of both two- and three-dimensional inviscid aerodynamic problems including a two-dimensional supersonic internal/external nozzle, two-dimensional transonic airfoils (resulting in supercritical shapes), three-dimensional transport wings, and three-dimensional supersonic delta wings. Each design application results in realistic and useful optimized shapes.

Burgreen, Gregory W.↗

Constructing a conforming Voronoi mesh for an arbitrarily-shaped enclosed geometric domain

A computing system is described herein, where the computing system includes a processor and memory storing instructions that, when executed by the processor, cause the processor to perform the following acts: 1) receiving a computer-implemented definition of an enclosed geometric domain, wherein the geometric domain is two-dimensional; 2) determining locations of seeds for the enclosed geometric domain; 3) decomposing the enclosed geometric domain into a conforming Voronoi mesh based on the locations of the seeds, wherein the conforming Voronoi mesh comprises Voronoi cells, and further wherein the conforming Voronoi mesh is bounded by the enclosed domain; and 4) performing a numerical simulation to generate simulation results, wherein the numerical simulation is based on at least one Voronoi cell in the Voronoi cells of the conforming Voronoi mesh.

97 MATHEMATICS AND COMPUTING↗

Constructing a conforming voronoi mesh for an arbitrarily-shaped enclosed geometric domain

A computing system is described herein, where the computing system includes a processor and memory storing instructions that, when executed by the processor, cause the processor to perform the following acts: 1) receiving a computer-implemented definition of an enclosed geometric domain, wherein the geometric domain is three-dimensional; 2) determining locations of seeds for the enclosed geometric domain; 3) decomposing the enclosed geometric domain into a conforming Voronoi mesh based on the locations of the seeds, wherein the conforming Voronoi mesh comprises Voronoi cells, and further wherein the conforming Voronoi mesh is bounded by the enclosed domain; and 4) performing a numerical simulation to generate simulation results, wherein the numerical simulation is based on at least one Voronoi cell in the Voronoi cells of the conforming Voronoi mesh.

97 MATHEMATICS AND COMPUTING↗

Ice Shape Characterization Using Self-Organizing Maps

A method for characterizing ice shapes using a self-organizing map (SOM) technique is presented. Self-organizing maps are neural-network techniques for representing noisy, multi-dimensional data aligned along a lower-dimensional and possibly nonlinear manifold. For a large set of noisy data, each element of a finite set of codebook vectors is iteratively moved in the direction of the data closest to the winner codebook vector. Through successive iterations, the codebook vectors begin to align with the trends of the higher-dimensional data. In information processing, the intent of SOM methods is to transmit the codebook vectors, which contains far fewer elements and requires much less memory or bandwidth, than the original noisy data set. When applied to airfoil ice accretion shapes, the properties of the codebook vectors and the statistical nature of the SOM methods allows for a quantitative comparison of experimentally measured mean or average ice shapes to ice shapes predicted using computer codes such as LEWICE. The nature of the codebook vectors also enables grid generation and surface roughness descriptions for use with the discrete-element roughness approach. In the present study, SOM characterizations are applied to a rime ice shape, a glaze ice shape at an angle of attack, a bi-modal glaze ice shape, and a multi-horn glaze ice shape. Improvements and future explorations will be discussed.

McClain, Stephen T.↗

Demonstration of Automatically-Generated Adjoint Code for Use in Aerodynamic Shape Optimization

Gradient-based optimization requires accurate derivatives of the objective function and constraints. These gradients may have previously been obtained by manual differentiation of analysis codes, symbolic manipulators, finite-difference approximations, or existing automatic differentiation (AD) tools such as ADIFOR (Automatic Differentiation in FORTRAN). Each of these methods has certain deficiencies, particularly when applied to complex, coupled analyses with many design variables. Recently, a new AD tool called ADJIFOR (Automatic Adjoint Generation in FORTRAN), based upon ADIFOR, was developed and demonstrated. Whereas ADIFOR implements forward-mode (direct) differentiation throughout an analysis program to obtain exact derivatives via the chain rule of calculus, ADJIFOR implements the reverse-mode counterpart of the chain rule to obtain exact adjoint form derivatives from FORTRAN code. Automatically-generated adjoint versions of the widely-used CFL3D computational fluid dynamics (CFD) code and an algebraic wing grid generation code were obtained with just a few hours processing time using the ADJIFOR tool. The codes were verified for accuracy and were shown to compute the exact gradient of the wing lift-to-drag ratio, with respect to any number of shape parameters, in about the time required for 7 to 20 function evaluations. The codes have now been executed on various computers with typical memory and disk space for problems with up to 129 x 65 x 33 grid points, and for hundreds to thousands of independent variables. These adjoint codes are now used in a gradient-based aerodynamic shape optimization problem for a swept, tapered wing. For each design iteration, the optimization package constructs an approximate, linear optimization problem, based upon the current objective function, constraints, and gradient values. The optimizer subroutines are called within a design loop employing the approximate linear problem until an optimum shape is found, the design loop limit is reached, or no further design improvement is possible due to active design variable bounds and/or constraints. The resulting shape parameters are then used by the grid generation code to define a new wing surface and computational grid. The lift-to-drag ratio and its gradient are computed for the new design by the automatically-generated adjoint codes. Several optimization iterations may be required to find an optimum wing shape. Results from two sample cases will be discussed. The reader should note that this work primarily represents a demonstration of use of automatically- generated adjoint code within an aerodynamic shape optimization. As such, little significance is placed upon the actual optimization results, relative to the method for obtaining the results.

Green, Lawrence↗

The root-zone soil moisture spectrum in a mediterranean ecosystem

Storage of water within soil pores of the root zone introduce memory effects in the dynamics of soil moisture that are considerably longer than the integral timescale of many atmospheric processes. Thus, hydro-climatic states can be “sustained” through land-surface heat and water vapor fluxes primarily because they can “feed off” on this long-term soil moisture memory. Root-zone soil moisture memory is only but one feature characterizing the spectrum of soil moisture dynamics, which is analyzed here using a combination of long-term measurements and models. In particular, the spectrum of root-zone soil moisture content in a Mediterranean ecosystem is examined using 14-years of half-hourly measurements. A distinguishing hydro-climatic feature in such ecosystems is that sources (mainly rainfall) and sinks (mainly evapotranspiration) of soil moisture are roughly out of phase with each other. For over 4 decades of time scales and 7 decades of energy, the canonical shape of the measured soil moisture spectrum is shown to be approximately Lorentzian determined by the soil moisture variance and its memory but with two exceptions: the occurrences of a peak at diurnal-to-daily time scales and a weaker peak at near annual time scales. Model calculations and spectral analysis demonstrate that diurnal and seasonal variations in hydroclimate forcing responsible for variability in evapotranspiration had minor impact on the normalized shape of the soil moisture spectrum. However, their impact was captured by adjustments in the temporal variance. These findings indicate that precipitation and not evapotranspiration variability dominates the multi-scaling properties of soil moisture variability consistent with prior climate model simulations. Furthermore, the soil moisture memory inferred by the annual peak of soil moisture (340 d) is consistent with climate model simulations, while the memory evaluated from the loss function of a linearized mass balance approach leads to a smaller value (50 d), highlighting the effect of weak non-stationarity on soil moisture variability.

54 ENVIRONMENTAL SCIENCES↗

Neural networks for data compression and invariant image recognition

An approach to invariant image recognition (I2R), based upon a model of biological vision in the mammalian visual system (MVS), is described. The complete I2R model incorporates several biologically inspired features: exponential mapping of retinal images, Gabor spatial filtering, and a neural network associative memory. In the I2R model, exponentially mapped retinal images are filtered by a hierarchical set of Gabor spatial filters (GSF) which provide compression of the information contained within a pixel-based image. A neural network associative memory (AM) is used to process the GSF coded images. We describe a 1-D shape function method for coding of scale and rotationally invariant shape information. This method reduces image shape information to a periodic waveform suitable for coding as an input vector to a neural network AM. The shape function method is suitable for near term applications on conventional computing architectures equipped with VLSI FFT chips to provide a rapid image search capability.

Gardner, Sheldon↗

Additional Comparison of Iced Aerodynamic Measurements on a Swept Wing From Two Wind Tunnels

Artificial ice shapes of various geometric fidelity were tested on a wing model based on the Common Research Model. Low Reynolds number test were conducted at Wichita State University's Walter H. Beech Memorial Wind utilizing an 8.9% scale model, and high Reynolds number tests were conducted at ONERA's F1 wind tunnel utilizing a 13.3% scale model. Several identical geometrically-scaled ice shapes were tested at both facilities, and the results were compared at overlapping Reynolds and Mach numbers. This was to ensure that the results and trends observed at low Reynolds number could be applied and continued to high, near-flight Reynolds number. The data from Wichita State University and ONERA F1 agreed well at matched Reynolds and Mach numbers. The lift and pitching moment curves agreed very well for most configurations. This confirmed results from previous tests with other ice shapes that indicated the data from the low Reynolds number tests could be used to understand ice-swept-wing aerodynamics at high Reynolds number. This allows ice aerodynamics testing to be performed at low Reynolds number facilities with much lower operating costs and generate results that are applicable to flight Reynolds number.

Scale models↗

Performance Issues of SYRK Implementations in Shared Memory Environments for Edge Cases

The symmetric rank-k update (SYRK) is a level-3 BLAS routine commonly used by many Data Mining/Machine Learning(DM/ML) algorithms such as regression, dimensionality reduction algorithms like PCA, matrix factorization and k-mean clustering. This paper presents a comprehensive analysis of the SYRK routine under popular dense linear algebra libraries such as OpenBLAS, Intel MKL, and BLIS particularly focusing on edge cases of dense matrices (thin or fat shapes) that are common in DM/ML applications. Our work identifies some performance issues of the SYRK routine in multi-threaded shared memory environments for edge cases and discuss matrix dependent modifications for performance improvement.

Hossain, Md Mosharaf↗