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At least 937 records · Page 52

Adrastea: An Efficient FPGA Design Environment for Heterogeneous Scientific Computing and Machine Learning

We present Adrastea, an efficient FPGA design environment for developing scientific machine learning applications. FPGA development is challenging, from deployment, proper toolchain setup, programming methods, interfacing FPGA kernels, and more importantly, the need to explore design space choices to get the best performance and area usage from the FPGA kernel design. Adrastea provides an automated and scalable design flow to parameterize, implement, and optimize complex FPGA kernels and associated interfaces. We show how virtualization of the development environment via virtual machines is leveraged to simplify the setup of the FPGA toolchain while deploying the FPGA boards and while scaling up the automated design space exploration to leverage multiple machines concurrently. Adrastea provides an automated build and test environment of FPGA kernels. By exposing design space hyper-parameters, Adrastea can automatically search the design space in parallel to optimize the FPGA design for a given metric, usually performance or area. Adrastea simplifies the task of interfacing with the FPGA kernels with a simplified interface API. To demonstrate the capabilities of Adrastea, we implement a complex random forest machine learning kernel with 10,000 input features while achieving extremely low computing latency without loss of prediction accuracy, which is required by a scientific edge application at SNS. We also demonstrate Adrastea using an FFT kernel and show that for both applications Adrastea is able to systematically and efficiently evaluate different design options, which reduced the time and effort required to develop the kernel from months of manual work to days of automatic builds.

Young, Aaron↗

An ontology-based knowledge graph for representing interactions involving RNA molecules

The "RNA world" represents a novel frontier for the study of fundamental biological processes and human diseases and is paving the way for the development of new drugs tailored to each patient's biomolecular characteristics. Although scientific data about coding and non-coding RNA molecules are constantly produced and available from public repositories, they are scattered across different databases and a centralized, uniform, and semantically consistent representation of the "RNA world" is still lacking. We propose RNA-KG, a knowledge graph (KG) encompassing biological knowledge about RNAs gathered from more than 60 public databases, integrating functional relationships with genes, proteins, and chemicals and ontologically grounded biomedical concepts. To develop RNA-KG, we first identified, pre-processed, and characterized each data source; next, we built a meta-graph that provides an ontological description of the KG by representing all the bio-molecular entities and medical concepts of interest in this domain, as well as the types of interactions connecting them. Finally, we leveraged an instance-based semantically abstracted knowledge model to specify the ontological alignment according to which RNA-KG was generated. RNA-KG can be downloaded in different formats and also queried by a SPARQL endpoint. A thorough topological analysis of the resulting heterogeneous graph provides further insights into the characteristics of the "RNA world". RNA-KG can be both directly explored and visualized, and/or analyzed by applying computational methods to infer bio-medical knowledge from its heterogeneous nodes and edges. The resource can be easily updated with new experimental data, and specific views of the overall KG can be extracted according to the bio-medical problem to be studied.

59 BASIC BIOLOGICAL SCIENCES↗

Spatially separating redox centers on 2D carbon nitride with cobalt single atom for photocatalytic H 2 O 2 production

Redox cocatalysts play crucial roles in photosynthetic reactions, yet simultaneous loading of oxidative and reductive cocatalysts often leads to enhanced charge recombination that is detrimental to photosynthesis. This study introduces an approach to simultaneously load two redox cocatalysts, atomically dispersed cobalt for improving oxidation activity and anthraquinone for improving reduction selectivity, onto graphitic carbon nitride (C 3 N 4 ) nanosheets for photocatalytic H 2 O 2 production. Spatial separation of oxidative and reductive cocatalysts was achieved on a two-dimensional (2D) photocatalyst, by coordinating cobalt single atom above the void center of C 3 N 4 and anchoring anthraquinone at the edges of C 3 N 4 nanosheets. Such spatial separation, experimentally confirmed and computationally simulated, was found to be critical for enhancing surface charge separation and achieving efficient H 2 O 2 production. This center/edge strategy for spatial separation of cocatalysts may be applied on other 2D photocatalysts that are increasingly studied in photosynthetic reactions.

2D photocatalyst↗

Sphynx

Sphynx is a software library for parallel graph partitioning and load balancing. It partitions a set of vertices in a graph such that the vertex parts are balanced, and the edge cut is approximately minimized. The primary use case is to partition a computational graph into smaller tasks that can be assigned to processors (cores) for efficient parallel computing. Sphynx is based on the Trilinos scientific computing toolkit so can run on both multi-CPU and multi-GPU systems. SAND2020-12183 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Boman, Erik↗

NASTRAN static and buckling analysis - comparison with other large-capacity programs

A square plate with clamped edges under a concentrated load was modeled using NASTRAN and ASKA finite element computer programs. Deflections were computed for various width-to-thickness ratios (b/t) of the plate element, and were compared against the classical theory to determine the b/t limitations. A cylinder with simply supported ends was modeled using NASTRAN and STAGS computer programs for buckling analysis. The models were subjected to a uniform radial pressure loading. Several parameters were changed, and the effects of those variations are presented. Utilizing these data, a model which will produce results comparable to published empirical data can be constructed and processed for a minimized cost.

Shah, L. C.↗

Nonlinear panel flutter - A finite-element approach

A finite-element approach has been developed for computing nonlinear flutter characteristics of rectangular isotropic panels with stream-alined side edges, based on aerodynamic forces from supersonic two-dimensional quasi-steady aerodynamic theory. Stress distributions and panel oscillation frequencies were determined from the analysis. The finite-element formulation, solution procedure, and convergence characteristics are presented. Comparisons are made with linear flutter and large-amplitude vibration results and demonstrate that good accuracy is obtained. Non-linear flutter results are presented for effects of aerodynamic damping, length-width ratio, initial in-plane forces and boundary-support conditions. Comparisons with experimental results are also presented.

Mei, C.↗

Comparison of elastic and elastic-plastic structural analyses for cooled turbine blade airfoils

Elastic plastic stress strain states in cooled turbine blade airfoils were calculated by three methods for the initial takeoff transient of an advanced technology aircraft engine. The three analytical methods compared were a three dimensional elastic plastic, finite element analysis, a three dimensional, elastic, finite element analysis, and a one dimensional, elastic plastic, beam theory analysis. Structural analyses were performed for eight cases involving different combinations of mechanical and thermal loading on impingement cooled airfoils with and without leading edge film cooling holes. The von Mises effective total strains at maximum takeoff computed from the elastic and elastic plastic finite element analyses agreed with 9 percent for rotating airfoils and 28 percent for stationary airfoils with the elastic results on the conservative side.

Kaufman, A.↗

Unsteady Subsonic Loadings Due to Control-Surface Motion

RHOIV computer program predicts unsteady lifting-surface loadings caused by motions of leading edge and trailing-edge control surfaces having sealed gaps at hinge lines and side edges. Analysis is based on linear, subsonic, potential-flow theory using kernel function method. Linear combinations of pressure distributions are used that are continuous except at planform edges and hinge lines. Loading solution is obtained by downwash collocation for deflection or motion of main wing and control surfaces.

Rowe, W. S.↗

VORCAM: A computer program for calculating vortex lift effect of cambered wings by the suction analogy

A user's guide to an improved version of Woodward's chord plane aerodynamic panel computer code is presumed. The guide can be applied to cambered wings exhibiting edge separated flow, including those with leading edge vortex flow at subsonic and supersonic speeds. New orientations for the rotated suction force are employed based on the momentum principal. The supersonic suction analogy method is improved by using an effective angle of attack defined through a semiempirical method.

Lan, C. E.↗

Spectral element simulations of laminar and turbulent flows in complex geometries

Spectral element methods are high-order weighted residual techniques based on spectral expansions of variables and geometry for the Navier-Stokes (NS) and transport equations. Here, practical aspects of these methods and their efficient implementation are examined, and several examples of flows in truly complex geometries are presented. The spectral element discretization for NS equations is introduced, and the convergence of the method is addressed. An efficient data management scheme is discussed in the context of parallel processing computations. The method is validated by comparing the spectral element solutions with the exact eigensolutions for the Orr-Sommerfeld equations in two and three dimensions. Computer-aided flow visualizations are presented for an impulsive flow past a sharp edge wedge. Three-dimensional states of channel flow disrupted by an array of cylindrical eddy promoters are studied, and the results of a direct simulation of the turbulent flow in a plane channel are presented.

Karniadakis, George EM↗

Simulations Of Three-Dimensional Flow With Separation

Report discusses numerical solutions of Navier-Stokes equations for viscous supersonic flow over fin protruding from flat plate. Two types of configurations considered: one with wedge-shaped fin (sharp edge facing upstream), other with blunt (rectangular parallelepiped) fin. Only steady flows considered. Computations performed to study phenomena involved in separations of three-dimensional flows.

Hung, Ching-Mao↗

Flow around wings accompanied by separation of vortices

The flow around wings computed by the usual method leads in the case of a finite trailing edge to a stagnation point in the trailing edge due to the Kutta-Joukowsky condition of flow governing this region. As a result, the theoretical pressure distribution differs substantially from the experimental values in the vicinity of the trailing edge. The present report describes an alternative method of calculation in which the rear stagnation point no longer appears. The stream leaves the trailing edge tangentially on the pressure side and a similar tangential separation occurs on the suction side of the profile at a point slightly in front of the trailing edge.

Schmieden, C↗

NAS technical summaries: Numerical aerodynamic simulation program, March 1991 - February 1992

NASA created the Numerical Aerodynamic Simulation (NAS) Program in 1987 to focus resources on solving critical problems in aeroscience and related disciplines by utilizing the power of the most advanced supercomputers available. The NAS Program provides scientists with the necessary computing power to solve today's most demanding computational fluid dynamics problems and serves as a pathfinder in integrating leading-edge supercomputing technologies, thus benefiting other supercomputer centers in Government and industry. This report contains selected scientific results from the 1991-92 NAS Operational Year, March 4, 1991 to March 3, 1992, which is the fifth year of operation. During this year, the scientific community was given access to a Cray-2 and a Cray Y-MP. The Cray-2, the first generation supercomputer, has four processors, 256 megawords of central memory, and a total sustained speed of 250 million floating point operations per second. The Cray Y-MP, the second generation supercomputer, has eight processors and a total sustained speed of one billion floating point operations per second. Additional memory was installed this year, doubling capacity from 128 to 256 megawords of solid-state storage-device memory. Because of its higher performance, the Cray Y-MP delivered approximately 77 percent of the total number of supercomputer hours used during this year.

Source record↗

Numerical prediction of transition of the F-16 wing at supersonic speeds

A parametric study is being conducted as an effort to numerically predict the extent of natural laminar flow (NLF) on finite swept wings at supersonic speeds. This study is one aspect of a High Speed Research Program (HSRP) to gain an understanding of the technical requirements for high-speed aircraft flight. The parameters that are being addressed in this study are Reynolds number, angle of attack, and leading-edge wing sweep. These parameters were analyzed through the use of an advanced Computational Fluid Dynamics (CFD) flow solver, specifically the ARC 3-D Compressible Navier-Stokes (CNS) flow solver. From the CNS code, pressure coefficients (Cp) are obtained for the various cases. These Cp's are then used to compute the boundary-layer profiles through the use of the 'Kaups and Cebeci' compressible 2-D boundary layer code. Finally, the boundary-layer parameters are processed into a 3-D compressible boundary layer stability code (COSAL) to predict transition. The parametric study then consisted of four geometries which addressed the effects of sweep, and three angles of attack from zero to ten degrees to yield a total of 12 cases. The above process was substantially automated through a procedure that was developed by the work conducted under this study. This automation procedure then yields a 3-D graphical measure of the extent of laminar flow by predicting the transition location of laminar to turbulent flow.

Cummings, Russell M.↗

Analysis of local delaminations caused by angle ply matrix cracks

Two different families of graphite/epoxy laminates with similar layups but different stacking sequences, (0,theta,-theta) sub s and (-theta/theta/0) sub s were analyzed using three-dimensional finite element analysis for theta = 15 and 30 degrees. Delaminations were modeled in the -theta/theta interface, bounded by a matrix crack and the stress free edge. The total strain energy release rate, G, along the delamination front was computed using three different techniques: the virtual crack closure technique (VCCT), the equivalent domain Integral (EDI) technique, and a global energy balance technique. The opening fracture mode component of the strain energy release rate, Gl, along the delamination front was also computed for various delamination lengths using VCCT. The effect of residual thermal and moisture stresses on G was evaluated.

Salpekar, Satish A.↗

NAS technical summaries. Numerical aerodynamic simulation program, March 1992 - February 1993

NASA created the Numerical Aerodynamic Simulation (NAS) Program in 1987 to focus resources on solving critical problems in aeroscience and related disciplines by utilizing the power of the most advanced supercomputers available. The NAS Program provides scientists with the necessary computing power to solve today's most demanding computational fluid dynamics problems and serves as a pathfinder in integrating leading-edge supercomputing technologies, thus benefitting other supercomputer centers in government and industry. The 1992-93 operational year concluded with 399 high-speed processor projects and 91 parallel projects representing NASA, the Department of Defense, other government agencies, private industry, and universities. This document provides a glimpse at some of the significant scientific results for the year.

Source record↗

NAS Technical Summaries, March 1993 - February 1994

NASA created the Numerical Aerodynamic Simulation (NAS) Program in 1987 to focus resources on solving critical problems in aeroscience and related disciplines by utilizing the power of the most advanced supercomputers available. The NAS Program provides scientists with the necessary computing power to solve today's most demanding computational fluid dynamics problems and serves as a pathfinder in integrating leading-edge supercomputing technologies, thus benefitting other supercomputer centers in government and industry. The 1993-94 operational year concluded with 448 high-speed processor projects and 95 parallel projects representing NASA, the Department of Defense, other government agencies, private industry, and universities. This document provides a glimpse at some of the significant scientific results for the year.

Source record↗

X-ray refelection from photoionized media in active galactic nuclei

We calculate the spectrum of X-ray radiation and reprocessed by a partly ionized optically thick medium in an active galactic nucleus. We self-consistently calculate the ionization balance and thermal balance in the medium along with the distribution of X-ray intensity with optical depth. In addition to absorption or scattering of the incident X-rays, we also compute the spectrum of X-rays emitted by the material, including lines, edges, and bremsstrahlung. The albedo of the medium depends primarily on the X-ray ionization parameter (ratio of incident flux to gas density, zeta(sub Chi), and secondarily on the UV flux generated by dissipation inside the disk; we locate the critical range of zeta(sub Chi) over which the albedo increases from small to nearly unity. While the continuum reflection is very weak below 10 keV when zeta(sub Chi) is small, significnat fluxes are emitted in atomic lines and edges in this energy range. In the limit of large zeta(sub Chi), the albedo below 10 keV increases, but reflection in this band is never gray: some photoelectric absorption remains up to rather large values of zeta(sub Chi), while at still higher values, inverse Compton scattering amplifies the soft X-ray flux. These features are sufficiently sharp that current and near-future X-ray experiments should permit diagnostic measures of zeta(sub Chi).

Zycki, Piotr T.↗