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At least 937 records · Page 52

3D Nanomagnetism in Low Density Interconnected Nanowire Networks

Free-standing, interconnected metallic nanowire networks with densities as low as 40 mg/cm 3 have been achieved over centimeter-scale areas, using electrodeposition into polycarbonate membranes that have been ion-tracked at multiple angles. Networks of interconnected magnetic nanowires further provide an exciting platform to explore 3-dimensional nanomagnetism, where their structure, topology, and frustration may be used as additional degrees of freedom to tailor the materials properties. New magnetization reversal mechanisms in cobalt networks are captured by the first-order reversal curve method, which demonstrate the evolution from strong demagnetizing dipolar interactions to intersection-mediated domain wall pinning and propagation, and eventually to shape-anisotropy dominated magnetization reversal. These findings open up new possibilities for 3-dimensional integrated magnetic devices for memory, complex computation, and neuromorphics.

36 MATERIALS SCIENCE↗

Application of the Hughes-LIU algorithm to the 2-dimensional heat equation

An implicit explicit algorithm for the solution of transient problems in structural dynamics is described. The method involved dividing the finite elements into implicit and explicit groups while automatically satisfying the conditions. This algorithm is applied to the solution of the linear, transient, two dimensional heat equation subject to an initial condition derived from the soluton of a steady state problem over an L-shaped region made up of a good conductor and an insulating material. Using the IIT/PRIME computer with virtual memory, a FORTRAN computer program code was developed to make accuracy, stability, and cost comparisons among the fully explicit Euler, the Hughes-Liu, and the fully implicit Crank-Nicholson algorithms. The Hughes-Liu claim that the explicit group governs the stability of the entire region while maintaining the unconditional stability of the implicit group is illustrated.

Malkus, D. S.↗

Implementation of a multiblock sensitivity analysis method in numerical aerodynamic shape optimization

A multiblock sensitivity analysis method is applied in a numerical aerodynamic shape optimization technique. The Sensitivity Analysis Domain Decomposition (SADD) scheme which is implemented in this study was developed to reduce the computer memory requirements resulting from the aerodynamic sensitivity analysis equations. Discrete sensitivity analysis offers the ability to compute quasi-analytical derivatives in a more efficient manner than traditional finite-difference methods, which tend to be computationally expensive and prone to inaccuracies. The direct optimization procedure couples CFD analysis based on the two-dimensional thin-layer Navier-Stokes equations with a gradient-based numerical optimization technique. The linking mechanism is the sensitivity equation derived from the CFD discretized flow equations, recast in adjoint form, and solved using direct matrix inversion techniques. This investigation is performed to demonstrate an aerodynamic shape optimization technique on a multiblock domain and its applicability to complex geometries. The objectives are accomplished by shape optimizing two aerodynamic configurations. First, the shape optimization of a transonic airfoil is performed to investigate the behavior of the method in highly nonlinear flows and the effect of different grid blocking strategies on the procedure. Secondly, shape optimization of a two-element configuration in subsonic flow is completed. Cases are presented for this configuration to demonstrate the effect of simultaneously reshaping interfering elements. The aerodynamic shape optimization is shown to produce supercritical type airfoils in the transonic flow from an initially symmetric airfoil. Multiblocking effects the path of optimization while providing similar results at the conclusion. Simultaneous reshaping of elements is shown to be more effective than individual element reshaping due to the inclusion of mutual interference effects.

Lacasse, James M.↗

Parallel volume ray-casting for unstructured-grid data on distributed-memory architectures

As computing technology continues to advance, computational modeling of scientific and engineering problems produces data of increasing complexity: large in size and unstructured in shape. Volume visualization of such data is a challenging problem. This paper proposes a distributed parallel solution that makes ray-casting volume rendering of unstructured-grid data practical. Both the data and the rendering process are distributed among processors. At each processor, ray-casting of local data is performed independent of the other processors. The global image composing processes, which require inter-processor communication, are overlapped with the local ray-casting processes to achieve maximum parallel efficiency. This algorithm differs from previous ones in four ways: it is completely distributed, less view-dependent, reasonably scalable, and flexible. Without using dynamic load balancing, test results on the Intel Paragon using from two to 128 processors show, on average, about 60% parallel efficiency.

Ma, Kwan-Liu↗

Axom

Axom is an open-source library of "building block" software components that provide core infrastructure capabilities for HPC applications. Such capabilities include: input file parsing and verification for various file formats, format specification for material shape input to multi-material simulations and tools for placing those shapes on meshes, parallel distributed coordination of diagnostic messages, geometric primitives, spatial queries and spatial search acceleration data structures, in memory key-value data store for managing simulation data and parallel file I/O. Axom components are used widely across LLNL Advanced Simulation and Computing program applications. It is also part of the LLNL institutionally-supported RADIUSS project, which promotes and funds its adoption by projects across LLNL.

Zagaris, George↗

Contour-map encoding of shape for early vision

Contour maps provide a general method for recognizing 2-D shapes. All but blank images give rise to such maps, and people are good at recognizing objects and shapes from them. The maps are encoded easily in long feature vectors that are suitable for recognition by an associative memory. These properties of contour maps suggest a role for them in early visual perception. The prevalence of direction sensitive neurons in the visual cortex of mammals supports this view.

Kanerva, Pentti↗

A finite element-boundary integral method for conformal antenna arrays on a circular cylinder

Conformal antenna arrays offer many cost and weight advantages over conventional antenna systems. In the past, antenna designers have had to resort to expensive measurements in order to develop a conformal array design. This was due to the lack of rigorous mathematical models for conformal antenna arrays. As a result, the design of conformal arrays was primarily based on planar antenna design concepts. Recently, we have found the finite element-boundary integral method to be very successful in modeling large planar arrays of arbitrary composition in a metallic plane. We are extending this formulation to conformal arrays on large metallic cylinders. In doing so, we will develop a mathematical formulation. In particular, we discuss the finite element equations, the shape elements, and the boundary integral evaluation. It is shown how this formulation can be applied with minimal computation and memory requirements.

Kempel, Leo C.↗

Preliminary Investigation on Boundary Layer Control by Means of Suction and Pressure with the U.S.A. 27 Airfoil

The tests described in this report constitute a preliminary investigation of airfoil boundary layer control, as carried out in the atmospheric wind tunnel of the Langley Memorial Aeronautical Laboratory, from February to August, 1927. Tests were made on a U.S.A. 27 airfoil section with various slot shapes and combinations, and at various amounts of pressure or suction on the slots. The lift of airfoils can be increased by removing or by accelerating the boundary layer. Removing the boundary layer by suction is more economical than to accelerate it by jet action. Gauze-covered suction slots apparently give the best results. When not in operation, all suction slots tested had a detrimental effect upon the aerodynamic characteristics of the airfoil which was not apparent with the backward-opening pressure slots. Thick, blunt-nose airfoils would seem to give best results with boundary layer control.

Reid, E G↗

On the hysteresis of the sea surface and its applicability to wave height predictions

Because of the low dissipation rate of wave energy on the ocean's surface, the wave height at some location and time must be dependent upon wind fields in existence there at previous times and upon swell propagated there from other regions. To study these relationships, significant wave height (SWH) measurements from the Geos-3 radar altimeter are used in conjunction with anemometer windspeed measurements from weather ships, L, C, and R. During the passage of large cyclonic disturbances near the fixed locations of these vessels in the North Atlantic in February 1976, distinct hysteresis profiles that characterize the sea's memory during generation and dissipation conditions are observed. Examples are given that demonstrate the influences of cyclone intensity, movement, velocity, and shape on the configuration of these profiles.

Parsons, C. L.↗

A finite element-boundary integral method for conformal antenna arrays on a circular cylinder

Conformal antenna arrays offer many cost and weight advantages over conventional antenna systems. In the past, antenna designers have had to resort to expensive measurements in order to develop a conformal array design. This is due to the lack of rigorous mathematical models for conformal antenna arrays, and as a result the design of conformal arrays is primarily based on planar antenna design concepts. Recently, we have found the finite element-boundary integral method to be very successful in modeling large planar arrays of arbitrary composition in a metallic plane. Herewith we shall extend this formulation for conformal arrays on large metallic cylinders. In this we develop the mathematical formulation. In particular we discuss the finite element equations, the shape elements, and the boundary integral evaluation, and it is shown how this formulation can be applied with minimal computation and memory requirements. The implementation shall be discussed in a later report.

Kempel, Leo C.↗

Simulations of Sample-Up-The-Ramp for Space-Based Observations of Faint Sources

We have conducted simulations of a memory-efficient up-the-ramp sampling algorithm for infrared detector arrays. Our simulations use realistic sky models of galaxy brightness, shapes, and distributions, and include the contributions of zodiacal light and cosmic rays. A simulated readout is based on the HAWAII-2RG arrays, and includes read noise, dark current, pedestal, and other effects. The up-the-ramp algorithm rejects cosmic rays and produces a best estimate of the source flux under the assumption of very low signal-to-noise. We present an analysis of the fidelity of image brightness recovery with this algorithm.

Benford, Dominic J.↗

Symmetry plays a key role in the erasing of patterned surface features

We report on how the relaxation of patterns prepared on a thin film can be controlled by manipulating the symmetry of the initial shape. The validity of a lubrication theory for the capillary-driven relaxation of surface profiles is verified by atomic force microscopy measurements, performed on films that were patterned using focused laser spike annealing. In particular, we observe that the shape of the surface profile at late times is entirely determined by the initial symmetry of the perturbation, in agreement with the theory. The results have relevance in the dynamical control of topographic perturbations for nanolithography and high density memory storage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Domain morphology and mechanics of the H / T ' transition metal dichalcogenide monolayers

The properties of two-dimensional (2D) transition metal dichalcogenide (TMD) monolayers can be dynamically controlled via strain-induced displacive structural transformations between semiconducting (H) and metallic or semimetallic ( T ' ) crystal structures. The shapes, symmetries, and kinetics of crystalline domains generated during these transformations and the mechanical response of transforming monolayers are of fundamental and applied interest in, e.g., phase change memory devices and the study of topologically protected edge states in quantum spin Hall insulating T ' crystals. We quantitatively characterize T ' domain morphologies during H → T ' transformations in both flat and bendable TMD monolayers using a combination of first principles and continuum calculations. Wulff constructions for MoTe 2 and MoS 2 show that T ' domains within much larger T ' domains are either rhombi of fixed proportions (if nonmisfitting) or rectangles whose aspect ratio $A_R$ increases with domain size $L_0$ (if misfitting). Isolated T ' domains within much larger H domains undergo a morphological crossover from compact to elongated shapes at $L_0$ ≈ 100 – 200 nm if the sheet is constrained to be flat or $L_0$ $≳$ 2 $μ$m if the sheet is free to bend. This crossover is driven by a competition between anisotropic interfacial energy and elastic misfit energy, and its position can be tuned via the monolayer-substrate interaction strength. It is shown that the aspect ratio $A_R$ obeys a scaling law $A_R$ $~$ $L^{2/3}_0$. Stress-strain response characterized as a function of strain orientation reveals extreme anisotropy in the effective elastic modulus through H / T ' coexistence. Ferroelastic multidomain T ' - WTe 2 monolayers are found to exhibit two to three regimes of reversible mechanical response, and localized buckling in freely suspended T ' monolayers is shown to qualitatively alter T ' domain symmetries.

36 MATERIALS SCIENCE↗

Mode shape analysis using a commercially available peak store video frame buffer

Time exposure photography, sometimes coupled with strobe illumination, is an accepted method for motion analysis that bypasses frame by frame analysis and resynthesis of data. Garden variety video cameras can now exploit this technique using a unique frame buffer that is a non-integrating memory that compares incoming data with that already stored. The device continuously outputs an analog video signal of the stored contents which can then be redigitized and analyzed using conventional equipment. Historically, photographic time exposures have been used to record the displacement envelope of harmonically oscillating structures to show mode shape. Mode shape analysis is crucial, for example, in aeroelastic testing of wind tunnel models. Aerodynamic, inertial, and elastic forces can couple together leading to catastrophic failure of a poorly designed aircraft. This paper will explore the usefulness of the peak store device as a videometric tool and in particular discuss methods for analyzing a targeted vibrating plate using the 'peak store' in conjunction with calibration methods familiar to the close-range videometry community. Results for the first three normal modes will be presented.

Snow, Walter L.↗

DeepPhenoMem V1.0: deep learning modelling of canopy greenness dynamics accounting for multi-variate meteorological memory effects on vegetation phenology

Abstract. Vegetation phenology plays a key role in controlling the seasonality of ecosystem processes that modulate carbon, water and energy fluxes between the biosphere and atmosphere. Accurate modelling of vegetation phenology in the interplay of Earth's surface and the atmosphere is thus crucial to understand how the coupled system will respond to and shape climatic changes. Phenology is controlled by meteorological conditions at different timescales: on the one hand, changes in key meteorological variables (temperature, water, radiation) can have immediate effects on the vegetation development; on the other hand, phenological changes can be driven by past environmental conditions, known as memory effects. However, the processes governing meteorological memory effects on phenology are not completely understood, resulting in their limited performance of vegetation phenology represented in land surface models. A deep learning model, specifically a long short-term memory network (LSTM), has the potential to capture and model the meteorological memory effects on vegetation phenology. Here, we apply the LSTM to model the vegetation phenology using meteorological drivers and high-temporal-resolution canopy greenness observations through digital repeat photography by the PhenoCam network. We compare a multiple linear regression model, a no-memory-effect LSTM model and a full-memory-effect LSTM model to predict the whole seasonal greenness trajectory and the corresponding phenological transition dates across 50 sites and 317 site years during 2009–2018, covering deciduous broadleaf forests, evergreen needleleaf forests and grasslands. Results show that the deep learning model outperforms the multiple linear regression model, and the full-memory-effect LSTM model performs better than the no-memory-effect model for all three plant function types (median R2 of 0.878, 0.957 and 0.955 for broadleaf forests, evergreen needleleaf forests and grasslands). We also find that the full-memory-effect LSTM model is capable of predicting the seasonal dynamic variations of canopy greenness and reproducing trends in shifting phenological transition dates. We also performed a sensitivity analysis of the full-memory-effect LSTM model to assess its plausibility, revealing its coherence with established knowledge of vegetation phenology sensitivity to meteorological conditions, particularly changes in temperature. Our study highlights that (1) multi-variate meteorological memory effects play a crucial role in vegetation phenology, and (2) deep learning opens up new avenues for improving the representation of vegetation phenological processes in land surface models via a hybrid modelling approach.

Geology↗

Optimizing Tensor Contractions in CCSD(T) for Efficient Execution on GPUs

Tensor contractions are higher dimensional analogs of matrix multiplications, used in many computational contexts such as high order models in quantum chemistry, deep learning, nite element methods etc. In contrast to the wide availability of high-performance libraries for matrix multiplication on GPUs, the same is not true for tensor contractions. In this paper, we address the optimization of a set of symmetrized tensor contractions that form the computational bottleneck in the CCSD(T) coupled-cluster method in computational chemistry suites like NWChem. Some of the challenges in optimizing tensor contractions that arise in practice from the variety of dimensionalities and shapes for tensors include effective mapping of the high-dimensional iteration space to threads, choice of data buffering in shared-memory and registers, and tile sizes for multi-level tiling. Furthermore, in the case of symmetrized tensor contractions in CCSD(T), it is also a challenge to fuse contractions to reduce data movement cost by exploiting reuse of intermediate tensors. In this paper, we developed an efficient GPU implementation of the tensor contractions in CCSD(T) using shared-memory buffering, register tiling, loop fusion and register transpose. Experimental results demonstrate significant improvement over the current state-of-the-art.

Kim, Jinsung↗

The number of past and future regenerations of iron in the oceanand its intrinsic fertilization efficiency

Iron fertilization is explored by tracking dissolved iron (DFe) through its life cycle from injection by aeolian, sedimentary, and hydrothermal sources (birth) to burial in the sediments (death). We develop new diagnostic equations that count iron and phosphate regenerations with each passage through the biological pump and partition the ocean's DFe concentration according to the number of its past or future regenerations. We apply these diagnostics to a family of data-constrained estimates of the iron cycle with sources σ tot in the range 1.9 – 41 Gmol yr -1 . We find that for states with σ tot > 7 Gmol yr -1 , 50 % or more of the DFe inventory has not been regenerated in the past and 85 % or more will not be regenerated in the future. The globally averaged mean number of past or future regenerations scales with the bulk iron lifetime τ ~ σ tot - 1 and has a range of 0.05 – 2.2 for past and 0.01 – 1.4 for future regenerations. Memory of birth location fades rapidly with each regeneration, and DFe regenerated more than approximately five times is found in a pattern shaped by Southern Ocean nutrient trapping. We quantify the intrinsic fertilization efficiency of the unperturbed system at any point r in the ocean as the global export production resulting from the DFe at r per iron molecule. We show that this efficiency is closely related to the mean number of future regenerations that the iron will experience. At the surface, the intrinsic fertilization efficiency has a global mean in the range 0.7 – 7 mol P (mmol Fe) -1 across our family of state estimates and is largest in the central tropical Pacific, with the Southern Ocean having comparable importance only for high-iron-source scenarios.

54 ENVIRONMENTAL SCIENCES↗

Higher-order particle representation for particle-in-cell simulations

In this paper we present an alternative approach to the representation of simulation particles for unstructured electrostatic and electromagnetic PIC simulations. In our modified PIC algorithm we represent particles as having a smooth shape function limited by some specified finite radius, r 0 . A unique feature of our approach is the representation of this shape by surrounding simulation particles with a set of virtual particles with delta shape, with fixed offsets and weights derived from Gaussian quadrature rules and the value of r 0 . As the virtual particles are purely computational, they provide the additional benefit of increasing the arithmetic intensity of traditionally memory bound particle kernels. The modified algorithm is implemented within Sandia National Laboratories' unstructured EMPIRE-PIC code, for electrostatic and electromagnetic simulations, using periodic boundary conditions. We show results for a representative set of benchmark problems, including electron orbit, a transverse electromagnetic wave propagating through a plasma, numerical heating, and a plasma slab expansion. In this work, good error reduction across all of the chosen problems is achieved as the particles are made progressively smoother, with the optimal particle radius appearing to be problem-dependent.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗