Results for “Scale analysis” — Page 57

DOE OSTI2012

Towards Scalable Optimal Sequence Homology Detection

Abstract—The field of bioinformatics and computational biol- ogy is experiencing a data revolution — experimental techniques to procure data have increased in throughput, improved in accuracy and reduced in costs. This has spurred an array of high profile sequencing and data generation projects. While the data repositories represent untapped reservoirs of rich information critical for scientific breakthroughs, the analytical software tools that are needed to analyze large volumes of such sequence data have significantly lagged behind in their capacity to scale. In this paper, we address homology detection, which is a funda- mental problem in large-scale sequence analysis with numerous applications. We present a scalable framework to conduct large- scale optimal homology detection on massively parallel super- computing platforms. Our approach employs distributed memory work stealing to effectively parallelize optimal pairwise alignment computation tasks. Results on 120,000 cores of the Hopper Cray XE6 supercomputer demonstrate strong scaling and up to 2.42 × 107 optimal pairwise sequence alignments computed per second (PSAPS), the highest reported in the literature.

Daily, Jeffrey A.↗

NASA NTRS1981

Geophysical fluid dynamics

Systematic scaling or dimensional analysis reveals that certain scales of geophysical fluid flows (such as stellar, ocean, and planetary atmosphere circulations) can be accurately modeled in the laboratory using a procedure which differs from conventional engineering modeling. Rather than building a model to obtain numbers for a specific design problem, the relative effects of the significant forces are systematically varied in an attempt to deepen understanding of the effects of these forces. Topics covered include: (1) modeling a large-scale planetary atmospheric flow in a rotating cylindrical annulus; (2) achieving a radial dielectric body force; (3) spherical geophysical fluid dynamics experiments for Spacelab flights; (4) measuring flow and temperature; and (5) the possible effect of rotational or precessional disturbances on the flow in the rotating spherical containers.

Fowlis, W. W.↗

DOE OSTI2020

REopt Lite Web Tool: Capabilities and Features

REopt Lite transforms complex energy project decisions into actionable results for building owners, utilities, and industry. Based on decades of NREL decision-support expertise, the free, publicly available REopt Lite web tool guides investment in economic, resilient energy technologies. And open source and API access to the tool enables energy analysis at scale. This presentation provides an overview of how REopt Lite can help users optimize the economic and resilience benefits of distributed energy resources.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS1991

Representation of vegetation by continental data sets derived from NOAA-AVHRR data

Images of the normalized difference vegetation index (NDVI) are examined with specific attention given to the effect of spatial scales on the understanding of surface phenomena. A scale variance analysis is conducted on NDVI annual and seasonal images of Africa taken from 1987 NOAA-AVHRR data at spatial scales ranging from 8-512 km. The scales at which spatial variation takes place are determined and the relative magnitude of the variations are considered. Substantial differences are demonstrated, notably an increase in spatial variation with coarsening spatial resolution. Different responses in scale variance as a function of spatial resolution are noted in an analysis of maximum value composites for February and September; the difference is most marked in areas with very seasonal vegetation. The spatial variation at different scales is attributed to different factors, and methods involving the averaging of areas of transition and surface heterogeneity can oversimplify surface conditions. The spatial characteristics and the temporal variability of areas should be considered to accurately apply satellite data to global models.

Justice, C. O.↗

DOE OSTI2017

A large scale system approach for stability analysis of multi-unit SMR plants - 248

In this paper we present a framework based on large scale system theory for analyzing the stability of coupled advanced high temperature molten salt small modular reactors. It has been suggested that small modular reactors be coupled through a common molten salt energy repository, called a salt vault. Using vector Lyapunov functions the connective stability of multiple reactors coupled through a salt vault can be guaranteed. In this theory, scalar Lyapunov functions are assigned to portions of the composite system state space. Functions are constructed for each small modular reactor (SMR), each Brayton cycle, and the salt vault. These functions are then aggregated, becoming components of a vector Lyapunov function. If this vector function possesses special properties, the composite system is stable. Bounds on the connective stability of a multi-reactor plant can be found in terms of a free parameter, in this case the mass of molten salt in the salt vault. Examining bounds on the connective stability allows one to use control theory as a tool for making performance and economic design decisions related to the size of the salt vault. This technique can produce a constraint that is used in a design optimization problem for finding the smallest-possible salt vault that ensures stability. It can also be used as an indicator of interconnection and its effect on system behavior. This, in turn, could be used to guide multi-unit control system design to ensure that highly coupled systems behave favorably. The theory for multi-unit control and operation is discussed. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Carbon Capture through Membranes - Leveraging Multiphysics Modeling, Dimensional Analysis and Machine Learning to Scale up and Optimize Devices and Processes for Decarbonization

We study the separation performance using membrane modules through dimensional analysis (DA). We formulate the main process equations to identify relevant dimensionless numbers inherent in the physics. In particular, we identify that the critical step in the separation process is mass transfer through the selective layer. Remarkably, the dimensionless feed flow (DFfeed) emerges as a crucial factor in describing this process. Not only does DFfeed directly appear in the governing equations, but it also holds a physical significance associated with the time scales for the mass transfer across the feed side and through the selective layer. Regarding the output performance variables, we consider the recovery, stage cut, productivity and purity. In this context, we profit from experimental data and CFD simulations to evaluate the separation performance of the modules when varying the input flowrate, the scale of the module, and the CO2 permeance. These datasets enable us to establish correlations between performance metrics and the dimensionless feed flow (DFfeed). Using simple power functions of DFfeed, we obtain R2 coefficients exceeding 0.99, indicating the accuracy of the correlations built in the present work. In the future, we wish to use DA to understand key transport mechanisms, predict and control module performance, and challenge the universality of these findings by testing various gas separations across different membrane modules beyond our case study.

Pedrozo, Hector A.↗

NASA NTRS2001

A Scalable Analysis Toolkit

The Scalable Analysis Toolkit (SAT) project aimed to demonstrate that it is feasible and useful to statically detect software bugs in very large systems. The technical focus of the project was on a relatively new class of constraint-based techniques for analysis software, where the desired facts about programs (e.g., the presence of a particular bug) are phrased as constraint problems to be solved. At the beginning of this project, the most successful forms of formal software analysis were limited forms of automatic theorem proving (as exemplified by the analyses used in language type systems and optimizing compilers), semi-automatic theorem proving for full verification, and model checking. With a few notable exceptions these approaches had not been demonstrated to scale to software systems of even 50,000 lines of code. Realistic approaches to large-scale software analysis cannot hope to make every conceivable formal method scale. Thus, the SAT approach is to mix different methods in one application by using coarse and fast but still adequate methods at the largest scales, and reserving the use of more precise but also more expensive methods at smaller scales for critical aspects (that is, aspects critical to the analysis problem under consideration) of a software system. The principled method proposed for combining a heterogeneous collection of formal systems with different scalability characteristics is mixed constraints. This idea had been used previously in small-scale applications with encouraging results: using mostly coarse methods and narrowly targeted precise methods, useful information (meaning the discovery of bugs in real programs) was obtained with excellent scalability.

Aiken, Alexander↗

DOE OSTI2022

Multi-scale and multi-physics analysis, design optimization, and experimental validation of heat exchangers utilizing high performance, non-round tubes

Air-to-refrigerant heat exchangers (HXs) are fundamental components in HVAC&R systems, and considerable research has been dedicated designing continually smaller, lighter, and more efficient HX designs. In recent years, researchers have leveraged advancements in Computational Fluid Dynamics (CFD), Finite Element Analysis (FEA), and optimization algorithms to consider primary tube shape and topology optimization to design highly compact, high performance HXs for a multitude of applications. In this research, we present a computationally efficient, comprehensive, multi-scale, and multi-physics analysis and optimization method for air-to-refrigerant HXs featuring automated CFD and FEA simulations and approximation-assisted optimization. This methodology was utilized to design HXs with shape-optimized, non-round tubes which outperform current state-of-the-art tube-fin HXs without compromising structural integrity. The optimal HXs were shown to deliver similar thermal performance to the baseline HXs while also achieving more than 20% reductions in airside pressure drop and core envelope volume and more than 30% reduction in internal volume. Comprehensive experimental validation of the optimization methodology was conducted through the testing of two prototypes in a standardized wind tunnel facility under multiple operating conditions. For prototype #1 under dry evaporator conditions, the predicted heat load agreed within ± 10% of measured values and the predicted airside pressure drop agreed within ± 30%, while for dehumidifying conditions, the predicted sensible and latent heat loads agreed within ± 10% and ± 20% of the measured values, respectively. For prototype #2, the predicted condenser heat load agreed within ± 3.0% of measured values, and the predicted airside pressure drop agreed within ± 27%. The acceptable agreement between simulation and experimental results for the present application highlights the flexibility of the novel optimization methodology to design next generation HXs with improved performance and reduced volume, weight, and environmental impact.

42 ENGINEERING↗

DOE OSTI2025

Microstructurally informed synchrotron x-ray analysis revealing helium defect transitions in ultrafine grained tungsten

The formation of insoluble gaseous defects in materials due to nuclear transmutation or ion implantation involves the diffusion of impurity atoms to form atomic defect clusters that coalesce into bubbles or cavities and ultimately degrade the material properties. Transmission electron microscopy (TEM) is limited in its ability to resolve sub-nanometer gas clusters whereas X-ray diffraction (XRD) provides information pertaining to local atomic changes. Here, in this study, helium (He) implanted ultrafine grained tungsten is explored through a multimodal defect characterization campaign combining TEM-informed Small Angle X-ray Scattering (SAXS) analysis, XRD lattice parameter measurements, and nanoscale He cluster quantification from a region of reciprocal space accessible via Wide Angle X-ray Scattering (WAXS). Moderate elevated temperature implantations are shown to produce high concentrations of sub-nanoscale He clusters and small, homogeneously distributed cavities, which collectively are linked to lattice expansion and further substantiated through complementary atomistic simulations. Increased implantation temperatures encourage the diffusion of these defects to the grain boundaries (GBs), leading to lattice relaxation and the growth of large GB cavities manifesting as bimodal size distributions in the SAXS analysis. Overall, our results demonstrate the utility of multimodal synchrotron X-ray analysis in bridging the gap between microscale He cavity quantification and atomic-scale defect analysis.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Beyond Magic Barrels: Digital manufacturing for crystallization, process development and optimization of explosive materials: Part II Resveratrol Exemplar

This SAND report summarizes work supported by an Engineering Sciences Research Foundation (ESRF) Lab Directed Research and Development (LDRD) project entitled “Beyond Magic Barrels: Digital manufacturing for crystallization, process development and optimization of explosive materials.” This SAND report is written in two parts with Part 1 discusses recrystallization of our explosive exemplar and Part 2 summarizing our work with recrystallization of resveratrol. We have studied resveratrol recrystallization with a multiscale approach combining experiments, modeling and simulation. At the single crystal scale, microscopy experiments illuminate crystal time-dependent growth rates using advanced image analysis. Bench scale experiments were carried out to look at growth of multiple particles in a small reactor creating thousands of particles and analyzing the results with microscopy and μCT. For the modeling we combine kinetic Monte Carlo (kMC) models with subscale information from density functional theory (DFT) or molecular dynamics. This work is discussed in Part 1 and can also be found in a paper from the project discussing a coarse-grained kMC model specifically developed for resveratrol. For well-mixed systems, we have population balance equations (PBE) linked with species mass conservation forming a set of ordinary differential equations that can be solved quickly. For more complicated geometries, such as the vat crystallization used throughout the complex, a coupled computational fluid dynamic (CFD)/PBE method was developed to account for gradients in temperature and concentration and differences in crystallization rates throughout the domain. These simulations are more complex and require high performance computing. We present results for two cases: 5% seed fast cool with parameters fit to the well-mixed case and 5% seed slow cool using the same parameters. We show reasonable agreement with experiments though are particles are significantly larger than the experiments.

36 MATERIALS SCIENCE↗

NASA NTRS1983

Finite element modeling and analysis of tires

Predicting the response of tires under various loading conditions using finite element technology is addressed. Some of the recent advances in finite element technology which have high potential for application to tire modeling problems are reviewed. The analysis and modeling needs for tires are identified. Reduction methods for large-scale nonlinear analysis, with particular emphasis on treatment of combined loads, displacement-dependent and nonconservative loadings; development of simple and efficient mixed finite element models for shell analysis, identification of equivalent mixed and purely displacement models, and determination of the advantages of using mixed models; and effective computational models for large-rotation nonlinear problems, based on a total Lagrangian description of the deformation are included.

Noor, A. K.↗

NASA NTRS1982

Acoustic modal analysis of a full-scale annular combustor

An acoustic modal decomposition of the measured pressure field in a full scale annular combustor installed in a ducted test rig is described. The modal analysis, utilizing a least squares optimization routine, is facilitated by the assumption of randomly occurring pressure disturbances which generate equal amplitude clockwise and counter-clockwise pressure waves, and the assumption of statistical independence between modes. These assumptions are fully justified by the measured cross spectral phases between the various measurement points. The resultant modal decomposition indicates that higher order modes compose the dominant portion of the combustor pressure spectrum in the range of frequencies of interest in core noise studies. A second major finding is that, over the frequency range of interest, each individual mode which is present exists in virtual isolation over significant portions of the spectrum. Finally, a comparison between the present results and a limited amount of data obtained in an operating turbofan engine with the same combustor is made. The comparison is sufficiently favorable to warrant the conclusion that the structure of the combustor pressure field is preserved between the component facility and the engine.

Karchmer, A. M.↗

NASA NTRS1983

Acoustic modal analysis of a full-scale annular combustor

An acoustic modal decomposition of the measured pressure field in a full scale annular combustor installed in a ducted test rig is described. The modal analysis, utilizing a least squares optimization routine, is facilitated by the assumption of randomly occurring pressure disturbances which generate equal amplitude clockwise and counter-clockwise pressure waves, and the assumption of statistical independence between modes. These assumptions are fully justified by the measured cross spectral phases between the various measurement points. The resultant modal decomposition indicates that higher order modes compose the dominant portion of the combustor pressure spectrum in the range of frequencies of interest in core noise studies. A second major finding is that, over the frequency range of interest, each individual mode which is present exists in virtual isolation over significant portions of the spectrum. Finally, a comparison between the present results and a limited amount of data obtained in an operating turbofan engine with the same combustor is made. The comparison is sufficiently favorable to warrant the conclusion that the structure of the combustor pressure field is preserved between the component facility and the engine. Previously announced in STAR as N83-21896

Karchmer, A. M.↗

NASA NTRSDate not supplied

Natural Fiber Simulations and Analysis for Composites

As the U.S. government and the aviation industry strive to achieve net-zero carbon emissions by 2050, the Sustainable Manufacturing of Aircraft (SUMAC) project, supported by the Convergent Aeronautics Solutions (CAS) program of the National Aeronautics and Space Administration (NASA), aims to develop sustainably derived thermoplastic composites and manufacturing technologies for future aviation. A multidisciplinary team of experts drives this initiative through a collective effort. The team’s key focus areas are sustainably derived thermoplastic resins, natural fiber reinforcement, composite manufacturing, structural health monitoring, computational materials modeling, and systems analysis. This presentation will give an overview of the SUMAC project. Fiber-scale microscopy analysis characterized fiber cross sections finding that hemp and flax fibers are very deformable and non-circular (circularities of 0.2 were observed), and diameters range from submicron to 20 μm. Fiber shapes range from flattened, with aspect ratios Rlong/Rshort up to 5, to round, Rlong/Rshort =1. And Fiber core perimeters, which likely drives deformability, were calculated Pcore=7 μm. Explicit-fiber yarn simulations, parameterized from single-fiber measurements, resolved and identified slack as a cause for yarn strain-hardening tensile behavior. The bonded network model of PLA, PHA and PA11 resins captures tensile behavior, and can model an infused weave. Computational models of the weave unit cells matched the pattern (including plain, twill and triaxial braid), yarn ply (1to 2), and yarn twist from optical microscopy.

thermoplastic↗

NASA NTRSDate not supplied

Natural Fiber Simulations and Analysis for Composites

As the U.S. government and the aviation industry strive to achieve net-zero carbon emissions by 2050, the Sustainable Manufacturing of Aircraft (SUMAC) project, supported by the Convergent Aeronautics Solutions (CAS) program of the National Aeronautics and Space Administration (NASA), aims to develop sustainably derived thermoplastic composites and manufacturing technologies for future aviation. A multidisciplinary team of experts drives this initiative through a collective effort. The team’s key focus areas are sustainably derived thermoplastic resins, natural fiber reinforcement, composite manufacturing, structural health monitoring, computational materials modeling, and systems analysis. This presentation will give an overview of the SUMAC project. Fiber-scale microscopy analysis characterized fiber cross sections finding that hemp and flax fibers are very deformable and non-circular (circularities of 0.2 were observed), and diameters range from submicron to 20 μm. Fiber shapes range from flattened, with aspect ratios Rlong/Rshort up to 5, to round, Rlong/Rshort =1. And Fiber core perimeters, which likely drives deformability, were calculated Pcore=7 μm. Explicit-fiber yarn simulations, parameterized from single-fiber measurements, resolved and identified slack as a cause for yarn strain-hardening tensile behavior. The bonded network model of PLA, PHA and PA11 resins captures tensile behavior, and can model an infused weave. Computational models of the weave unit cells matched the pattern (including plain, twill and triaxial braid), yarn ply (1to 2), and yarn twist from optical microscopy.

thermoplastic↗

DOE OSTI2018

Roofline scaling trajectories: A method for parallel application and architectural performance analysis

The end of Dennard scaling signaled a shift in HPC supercomputer architectures from systems built from single-core processor architectures to systems built from multicore and eventually manycore architectures. This transition substantially complicated performance optimization and analysis as new programming models were created, new scaling methodologies deployed, and on-chip contention became a bottleneck to performance. Existing distributed memory performance models like logP and logGP were unable to capture this contention. The Roofline model was created to address this contention and its interplay with locality. However, to date, the Roofline model has focused on full-node concurrency. In this paper, we extend the Roofline model to capture the effects of concurrency on data locality and on-chip contention. We demonstrate the value of this new technique by evaluating the NAS parallel benchmarks on both multicore and manycore architectures under both strong-And weak-scaling regimes. In order to quantify the interplay between programming model and locality, we evaluate scaling under both the OpenMP and flat MPI programming models.

Ibrahim, K↗

NASA NTRS1974

Stability analysis of nonlinear systems by multiple time scaling

The asymptotic solution for the transient analysis of a general nonlinear system in the neighborhood of the stability boundary was obtained by using the multiple-time-scaling asymptotic-expansion method. The nonlinearities are assumed to be of algebraic nature. Terms of order epsilon to the 3rd power (where epsilon is the order of amplitude of the unknown) are included in the solution. The solution indicates that there is always a limit cycle which is stable (unstable) and exists above (below) the stability boundary if the nonlinear terms are stabilizing (destabilizing). Extension of the solution to include fifth order nonlinear terms is also presented. Comparisons with harmonic balance and with multiple-time-scaling solution of panel flutter equations are also included.

Morino, L.↗

NASA NTRS1985

Transient response to localized episodic heating in the tropics

It is generally recognized that equatorial disturbances in the lower stratosphere are excited by convective latent heat release associated with the Internal Tropical Convergence Zone (ITCZ). Recently, attention has also focused on tropical convection with regard to extratropical teleconnection patterns. Unlike equatorial waves which are trapped about the equator but propagate vertically, the latter extend well out of the tropics but are barotropic. They have been most widely discussed in connection with long-term climatological features. Both types of disturbances have been examined largely from the standpoint of steady monochromatic forcing, in the latter case zero frequency or time-mean heating. However, tropical convection as revealed by recent geostationary satellite imagery is anything but regular, surely not steady. Much of the heating variance is concentrated spatially within three localized convective centers: Indonesia, the Amazon, and the Congo. Convective activity within these regions undergoes an irregular evolution over the span of a couple of days. It involves a rather broad spectrum of spatial and temporal scales. The analysis of cloud brightness over the Eastern Atlantic and Africa suggests a characteristic time scale of 3-4 days and correlations scales in latitude and longitude of approximately 30 deg.

Salby, M. L.↗