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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 307 records · Page 17

Implementation of a fully-balanced periodic tridiagonal solver on a parallel distributed memory architecture

While parallel computers offer significant computational performance, it is generally necessary to evaluate several programming strategies. Two programming strategies for a fairly common problem - a periodic tridiagonal solver - are developed and evaluated. Simple model calculations as well as timing results are presented to evaluate the various strategies. The particular tridiagonal solver evaluated is used in many computational fluid dynamic simulation codes. The feature that makes this algorithm unique is that these simulation codes usually require simultaneous solutions for multiple right-hand-sides (RHS) of the system of equations. Each RHS solutions is independent and thus can be computed in parallel. Thus a Gaussian elimination type algorithm can be used in a parallel computation and the more complicated approaches such as cyclic reduction are not required. The two strategies are a transpose strategy and a distributed solver strategy. For the transpose strategy, the data is moved so that a subset of all the RHS problems is solved on each of the several processors. This usually requires significant data movement between processor memories across a network. The second strategy attempts to have the algorithm allow the data across processor boundaries in a chained manner. This usually requires significantly less data movement. An approach to accomplish this second strategy in a near-perfect load-balanced manner is developed. In addition, an algorithm will be shown to directly transform a sequential Gaussian elimination type algorithm into the parallel chained, load-balanced algorithm.

Eidson, T. M.↗

Local search to improve coordinate-based task mapping

We present a local search strategy to improve the coordinate-based mapping of a parallel job’s tasks to the MPI ranks of its parallel allocation in order to reduce network congestion and the job’s communication time. The goal is to reduce the number of network hops between communicating pairs of ranks. Our target is applications with a nearest-neighbor stencil communication pattern running on mesh systems with non-contiguous processor allocation, such as Cray XE and XK Systems. Utilizing the miniGhost mini-app, which models the shock physics application CTH, we demonstrate that our strategy reduces application running time while also reducing the runtime variability. Furthermore, we further show that mapping quality can vary based on the selected allocation algorithm, even between allocation algorithms of similar apparent quality.

97 MATHEMATICS AND COMPUTING↗

Boundary layer receptivity and control

Receptivity processes initiate natural instabilities in a boundary layer. The instabilities grow and eventually break down to turbulence. Consequently, receptivity questions are a critical element of the analysis of the transition process. Success in modeling the physics of receptivity processes thus has a direct bearing on technological issues of drag reduction. The means by which transitional flows can be controlled is also a major concern: questions of control are tied inevitably to those of receptivity. Adjoint systems provide a highly effective mathematical method for approaching many of the questions associated with both receptivity and control. The long term objective is to develop adjoint methods to handle increasingly complex receptivity questions, and to find systematic procedures for deducing effective control strategies. The most elementary receptivity problem is that in which a parallel boundary layer is forced by time-harmonic sources of various types. The characteristics of the response to such forcing form the building blocks for more complex receptivity mechanisms. The first objective of this year's research effort was to investigate how a parallel Blasius boundary layer responds to general direct forcing. Acoustic disturbances in the freestream can be scattered by flow non-uniformities to produce Tollmien-Schlichting waves. For example, scattering by surface roughness is known to provide an efficient receptivity path. The present effort is directed towards finding a solution by a simple adjoint analysis, because adjoint methods can be extended to more complex problems. In practice, flows are non-parallel and often three-dimensional. Compressibility may also be significant in some cases. Recent developments in the use of Parabolized Stability Equations (PSE) offer a promising possibility. By formulating and solving a set of adjoint parabolized equations, a method for mapping the efficiency with which external forcing excites the three-dimensional motions of a non-parallel boundary layer was developed. The method makes use of the same computationally efficient formulation that makes the PSE currently so appealing. In the area of flow control, adjoint systems offer a powerful insight into the effect of control forces. One of the simplest control strategies for boundary layers involves the application of localized mean wall suction.

Hill, D. C.↗

Parallel methodology to capture cyclic variability in motored engines

Numerical prediction of of cycle-to-cycle variability (CCV) in SI engines is extremely challenging for two key reasons: (i) high-fidelity methods such as large eddy simulation (LES) are require to accurately capture the in-cylinder turbulent flowfield, and (ii) CCV is experienced over long timescales and hence the simulations need to be performed for hundreds of consecutive cycles. In this study, a new methodology is proposed to dissociate this long time-scale problem into several shorter time-scale problems, which can considerably reduce the computational time without sacrificing the fidelity of the simulations. The strategy is to perform multiple single-cycle simulations in parallel by effectively perturbing the simulation parameters such as the initial and boundary conditions. It is shown that by perturbing the initial velocity field effectively based on the intensity of the in-cylinder turbulence, the mean and variance of the in-cylinder flowfield is captured reasonably well. Adding perturbations in the initial pressure field and the boundary pressure improves the predictions. It is shown that this new approach is able to give accurate predictions of the flowfield statistics in less than one-tenth of time required for the conventional approach of simulating consecutive engine cycles.

33 ADVANCED PROPULSION SYSTEMS↗

Parallel Domain Decomposition Formulation and Software for Large-Scale Sparse Symmetrical/Unsymmetrical Aeroacoustic Applications

The overall objectives of this research work are to formulate and validate efficient parallel algorithms, and to efficiently design/implement computer software for solving large-scale acoustic problems, arised from the unified frameworks of the finite element procedures. The adopted parallel Finite Element (FE) Domain Decomposition (DD) procedures should fully take advantages of multiple processing capabilities offered by most modern high performance computing platforms for efficient parallel computation. To achieve this objective. the formulation needs to integrate efficient sparse (and dense) assembly techniques, hybrid (or mixed) direct and iterative equation solvers, proper pre-conditioned strategies, unrolling strategies, and effective processors' communicating schemes. Finally, the numerical performance of the developed parallel finite element procedures will be evaluated by solving series of structural, and acoustic (symmetrical and un-symmetrical) problems (in different computing platforms). Comparisons with existing "commercialized" and/or "public domain" software are also included, whenever possible.

Nguyen, D. T.↗

Successes and Opportunities for Discovery of Metal Oxide Photoanodes for Solar Fuels Generators

We report that the importance of metal oxide photoanodes in solar fuels technology has garnered concerted efforts in photoanode discovery in recent decades, which complement parallel efforts in development of analytical techniques and optimization strategies using standard photoanodes such as TiO 2 , Fe 2 O 3 and BiVO 4 . Theoretical guidance of high-throughput experiments has been particularly effective in dramatically increasing the portfolio of metal oxide photoanodes, motivating a new era of photoanode development where the characterization and optimization techniques developed on traditional materials are applied to nascent photoanodes that exhibit visible light photoresponse. The compendium of metal oxide photoanodes presented in the present work can also serve as the basis for further technique development, with a primary goal to establish workflows for discovery of materials that perform better against the critical criteria of operational stability, visible light photoresponse, and photovoltage suitable for tandem absorber architectures.

14 SOLAR ENERGY↗

Two-component quantum Hall effects in topological flat bands

Here in this paper, we study quantum Hall states for two-component particles (hardcore bosons and fermions) loading in topological lattice models. By tuning the interplay of interspecies and intraspecies interactions, we demonstrate that two-component fractional quantum Hall states emerge at certain fractional filling factors ν = 1/2 for fermions (ν = 2/3 for bosons) in the lowest Chern band, classified by features from ground states including the unique Chern number matrix (inverse of the K matrix), the fractional charge and spin pumpings, and two parallel propagating edge modes. Moreover, we also apply our strategy to two-component fermions at integer filling factor ν = 2 , where a possible topological Neel antiferromagnetic phase is under intense debate very recently. For the typical π -flux checkerboard lattice, by tuning the onsite Hubbard repulsion, we establish a first-order phase transition directly from a two-component fermionic ν = 2 quantum Hall state at weak interaction to a topologically trivial antiferromagnetic insulator at strong interaction, and therefore exclude the possibility of an intermediate topological phase for our system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Comparison of Virtual Oscillator and Droop Control: Preprint

Virtual oscillator control and droop control are two techniques that can be used to ensure synchronization and power sharing of parallel inverters in islanded operation. VOC relies on the implementation of non-linear Van der Pol oscillator equations in the control system of the inverter, acting upon the time-domain instantaneous inverter current and terminal voltage. On the other hand, DC explicitly computes active and reactive power produced by the inverter and relies on limited bandwidth low-pass filters. Even though both methods can be engineered to produce the same steady-state characteristics, their dynamic performances are significantly different. This paper presents analytical and experimental results that aim to compare both methods. It is shown that VOC is inherently faster and enables minimizing the circulating currents. The results are verified using three 120V, 1kW inverters.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DIMPLES: Distributed Influence Maximization for Pandemic pLanning on Exascale Systems

We study exascale parallel algorithms for the selection of intervention or monitoring strategies in massive realistic socio-technical networks through scalable Influence Maximization (InfMax) algorithms. We employ novel techniques to enable efficient scaling on up to 8k nodes of OLCF Frontier, with 65k AMD GPUs and 458k AMD CPU cores. Current state-of-the-art InfMax tools are limited to networks with only a few million actors (vertices) and a few hundred million interactions (edges). By overcoming these limitations, we show that our approach is capable of processing a realistic social contact network of the United States with 285 million nodes and about 8 billion edges. This two orders-of-magnitude improvement over the previous state-of-the-art is obtained by leveraging algorithmic advancements for the InfMax problem and designing several problem-specific approaches to overlap communication with computation, improve GPU efficiency, and lower the application’s memory requirements. We evaluate strong scaling for computing 10k most influential seeds using up to 8k nodes of an exascale system, and weak scaling from 128 to 8k system nodes for seed sets ranging from 625 to 40k seeds. We achieve the fastest-known runtime of 25 minutes while performing 48 million diffusion simulations totaling 2.31 petabytes to identify 40k influential seeds using 8k nodes, and take 5.75 minutes to identify 10k seeds while using 4k nodes.

Minutoli, Marco [Pacific Northwest National Labora↗

Collision of Physics and Software in the Monte Carlo Application Toolkit (MCATK)

The topic is presented in a series of slides organized as follows: MCATK overview, development strategy, available algorithms, problem modeling (sources, geometry, data, tallies), parallelism, miscellaneous tools/features, example MCATK application, recent areas of research, and summary and future work. MCATK is a C++ component-based Monte Carlo neutron-gamma transport software library with continuous energy neutron and photon transport. Designed to build specialized applications and to provide new functionality in existing general-purpose Monte Carlo codes like MCNP, it reads ACE formatted nuclear data generated by NJOY. The motivation behind MCATK was to reduce costs. MCATK physics involves continuous energy neutron & gamma transport with multi-temperature treatment, static eigenvalue (k eff and α) algorithms, time-dependent algorithm, and fission chain algorithms. MCATK geometry includes mesh geometries and solid body geometries. MCATK provides verified, unit-test Monte Carlo components, flexibility in Monte Carlo application development, and numerous tools such as geometry and cross section plotters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Methodologies and Tools for Tuning Parallel Programs: Facts and Fantasies

The need for computing power has forced a migration from serial computation on a single processor to parallel processing on multiprocessors. However, without effective means to monitor (and analyze) program execution, tuning the performance of parallel programs becomes exponentially difficult as program complexity and machine size increase. The recent introduction of performance tuning tools from various supercomputer vendors (Intel's ParAide, TMC's PRISM, CRI's Apprentice, and Convex's CXtrace) seems to indicate the maturity of performance tool technologies and vendors'/customers' recognition of their importance. However, a few important questions remain: What kind of performance bottlenecks can these tools detect (or correct)? How time consuming is the performance tuning process? What are some important technical issues that remain to be tackled in this area? This workshop reviews the fundamental concepts involved in analyzing and improving the performance of parallel and heterogeneous message-passing programs. Several alternative strategies will be contrasted, and for each we will describe how currently available tuning tools (e.g. AIMS, ParAide, PRISM, Apprentice, CXtrace, ATExpert, Pablo, IPS-2) can be used to facilitate the process. We will characterize the effectiveness of the tools and methodologies based on actual user experiences at NASA Ames Research Center. Finally, we will discuss their limitations and outline recent approaches taken by vendors and the research community to address them.

Yan, Jerry C.↗

Performance Evaluation Methodologies and Tools for Massively Parallel Programs

The need for computing power has forced a migration from serial computation on a single processor to parallel processing on multiprocessors. However, without effective means to monitor (and analyze) program execution, tuning the performance of parallel programs becomes exponentially difficult as program complexity and machine size increase. The recent introduction of performance tuning tools from various supercomputer vendors (Intel's ParAide, TMC's PRISM, CSI'S Apprentice, and Convex's CXtrace) seems to indicate the maturity of performance tool technologies and vendors'/customers' recognition of their importance. However, a few important questions remain: What kind of performance bottlenecks can these tools detect (or correct)? How time consuming is the performance tuning process? What are some important technical issues that remain to be tackled in this area? This workshop reviews the fundamental concepts involved in analyzing and improving the performance of parallel and heterogeneous message-passing programs. Several alternative strategies will be contrasted, and for each we will describe how currently available tuning tools (e.g., AIMS, ParAide, PRISM, Apprentice, CXtrace, ATExpert, Pablo, IPS-2)) can be used to facilitate the process. We will characterize the effectiveness of the tools and methodologies based on actual user experiences at NASA Ames Research Center. Finally, we will discuss their limitations and outline recent approaches taken by vendors and the research community to address them.

Yan, Jerry C.↗

Methodologies and Tools for Tuning Parallel Programs: 80% Art, 20% Science, and 10% Luck

The need for computing power has forced a migration from serial computation on a single processor to parallel processing on multiprocessors. However, without effective means to monitor (and analyze) program execution, tuning the performance of parallel programs becomes exponentially difficult as program complexity and machine size increase. In the past few years, the ubiquitous introduction of performance tuning tools from various supercomputer vendors (Intel's ParAide, TMC's PRISM, CRI's Apprentice, and Convex's CXtrace) seems to indicate the maturity of performance instrumentation/monitor/tuning technologies and vendors'/customers' recognition of their importance. However, a few important questions remain: What kind of performance bottlenecks can these tools detect (or correct)? How time consuming is the performance tuning process? What are some important technical issues that remain to be tackled in this area? This workshop reviews the fundamental concepts involved in analyzing and improving the performance of parallel and heterogeneous message-passing programs. Several alternative strategies will be contrasted, and for each we will describe how currently available tuning tools (e.g. AIMS, ParAide, PRISM, Apprentice, CXtrace, ATExpert, Pablo, IPS-2) can be used to facilitate the process. We will characterize the effectiveness of the tools and methodologies based on actual user experiences at NASA Ames Research Center. Finally, we will discuss their limitations and outline recent approaches taken by vendors and the research community to address them.

Yan, Jerry C.↗

Citizen Science Approach for Searching and Curating Literature of the Effects of Spaceflight on Cardiovascular Outcomes in Rodents and Humans

The spaceflight environment causes significant changes to the structure and function of the cardiovascular system, including fluid redistribution, alterations in blood pressure, and changes in cardiac output. The goal of this project is to quantitatively summarize the data on the effects of actual or simulated microgravity and radiation exposure resulting from spaceflight on the cardiovascular system. As the first step, a group of investigators approached through a collaboration of the Ames Life Science Data Archive (ALSDA) Analysis Working Group developed a list of relevant cardiovascular search terms. Based on these, medical librarians generated and executed the search strategy in Medline, CINAHL, Embase and NASA repositories. In parallel, we recruited students and young professionals from various space industry-affiliated organizations, resulting in ~100 individuals joining. With this program we aimed to reach students and young people underrepresented in STEM, including first-generation, female, minorities, disadvantaged backgrounds, fostered individuals, etc. These individuals completed a virtual training course on the nature and methodologies of the project. Following this, the participants were structured into teams with more senior/experienced individuals designated as team leaders. Currently, the teams are screening approximately 15,000 studies using the systematic review tool, Covidence. Teams will be extracting and curating data for meta-analysis of the cardiovascular spaceflight literature, but also extracting, submitting, and curating appropriate datasets into the new ALSDA submission portal and repository. This effort will result in collaborative publications based upon the literature meta-analyses, and a number of publicly accessible datasets for reuse, modeling, machine learning, and knowledge graph-type approaches. This approach reduces the length of time to complete title/abstract screening time from 1-2 years needed for this volume of studies, to 3-4 months, while also providing a unique, open-access educational experience to space research and training in knowledge synthesis tools to interested individuals.

space biology↗

Solar Field Layout and Aimpoint Strategy Optimization

The existing methods that determine heliostat aiming strategies for concentrating solar power (CSP) central receiver plants typically use heuristics and/or are computationally expensive, and they lack flexibility for different desired flux profiles and receiver geometries. Because of the interaction between layout and aimpoint strategy, considering the former without accounting for the latter may yield solutions with superfluous heliostats that cannot be used efficiently without compromising receiver flux constraints. To that end, we develop a software decision tool that uses innovative optimization methods to both optimize aimpoint strategies and improve candidate layouts for the solar collection field of a CSP central receiver plant. A CSP plant’s effectiveness relies on the optical efficiency of the solar field, which may be limited by losses due to (i) the cosine effect, (ii) atmospheric attenuation, (iii) interference (i.e., shading and blocking) between heliostats, (iv) spillage as a result of heliostat positioning and geometry, and (iv) some heliostats’ inability to direct irradiance to the receiver without damage due to excessive thermal flux. The goal of this work is to obtain optimized aiming strategies and improved solar field layouts that reduce capital cost and increase field optical efficiency and utilization, while meeting the power requirements of a given CSP receiver design. We formulate the aimpoint optimization problem as a mixed-integer linear programming model, which we then decompose into submodels that we solve in parallel. The decomposition subdivides the solar field into sections, and aimpoint strategies for each section are obtained independently of the others. To improve existing layouts, we develop a utilization-weighted efficiency metric that we use to relocate heliostats to sections of the solar field with similar efficiency and higher utilization. Finally, to connect our software to high-fidelity flux models, we develop a Python application programming interface for SolarPILOT, a mature software package that characterizes solar field performance and generates the heliostat layouts and flux maps that serve as input to our models.

14 SOLAR ENERGY↗

JSD: Parallel Job Accounting on the IBM SP2

The IBM SP2 is one of the most promising parallel computers for scientific supercomputing - it is fast and usually reliable. One of its biggest problems is a lack of robust and comprehensive system software. Among other things, this software allows a collection of Unix processes to be treated as a single parallel application. It does not, however, provide accounting for parallel jobs other than what is provided by AIX for the individual process components. Without parallel job accounting, it is not possible to monitor system use, measure the effectiveness of system administration strategies, or identify system bottlenecks. To address this problem, we have written jsd, a daemon that collects accounting data for parallel jobs. jsd records information in a format that is easily machine- and human-readable, allowing us to extract the most important accounting information with very little effort. jsd also notifies system administrators in certain cases of system failure.

Saphir, William↗

Parallel Ellipsoidal Perfectly Matched Layers for Acoustic Helmholtz Problems on Exterior Domains

Exterior acoustic problems occur in a wide range of applications, making the finite element analysis of such problems a common practice in the engineering community. Various methods for truncating infinite exterior domains have been developed, including absorbing boundary conditions, infinite elements, and more recently, perfectly matched layers (PML). PML are gaining popularity due to their generality, ease of implementation, and effectiveness as an absorbing boundary condition. PML formulations have been developed in Cartesian, cylindrical, and spherical geometries, but not ellipsoidal. In addition, the parallel solution of PML formulations with iterative solvers for the solution of the Helmholtz equation, and how this compares with more traditional strategies such as infinite elements, has not been adequately investigated. In this study, we present a parallel, ellipsoidal PML formulation for acoustic Helmholtz problems. To faciliate the meshing process, the ellipsoidal PML layer is generated with an on-the-fly mesh extrusion. Though the complex stretching is defined along ellipsoidal contours, we modify the Jacobian to include an additional mapping back to Cartesian coordinates in the weak formulation of the finite element equations. This allows the equations to be solved in Cartesian coordinates, which is more compatible with existing finite element software, but without the necessity of dealing with corners in the PML formulation. Herein we also compare the conditioning and performance of the PML Helmholtz problem with infinite element approach that is based on high order basis functions. On a set of representative exterior acoustic examples, we show that high order infinite element basis functions lead to an increasing number of Helmholtz solver iterations, whereas for PML the number of iterations remains constant for the same level of accuracy. Finally, this provides an additional advantage of PML over the infinite element approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Combination Attenuation Offers Strategy for Live Attenuated Coronavirus Vaccines

With an ongoing threat posed by circulating zoonotic strains, new strategies are required to prepare for the next emergent coronavirus (CoV). Previously, groups had targeted conserved coronavirus proteins as a strategy to generate live attenuated vaccine strains against current and future CoVs. With this in mind, we explored whether manipulation of CoV NSP16, a conserved 2'O methyltransferase (MTase), could provide a broad attenuation platform against future emergent strains. Using the severe acute respiratory syndrome-CoV mouse model, an NSP16 mutant vaccine was evaluated for protection from heterologous challenge, efficacy in the aging host, and potential for reversion to pathogenesis. Despite some success, concerns for virulence in the aged and potential for reversion makes targeting NSP16 alone an untenable approach. However, combining a 2'O MTase mutation with a previously described CoV fidelity mutant produced a vaccine strain capable of protection from heterologous virus challenge, efficacy in aged mice, and no evidence for reversion. Together, the results indicate that targeting the CoV 2'O MTase in parallel with other conserved attenuating mutations may provide a platform strategy for rapidly generating live attenuated coronavirus vaccines. IMPORTANCE Emergent coronaviruses remain a significant threat to global public health and rapid response vaccine platforms are needed to stem future outbreaks. However, failure of many previous CoV vaccine formulations has clearly highlighted the need to test efficacy under different conditions and especially in vulnerable populations such as the aged and immunocompromised. This study illustrates that despite success in young models, the 2'O methyltransferase mutant carries too much risk for pathogenesis and reversion in vulnerable models to be used as a stand-alone vaccine strategy. Importantly, the 2'O methyltransferase mutation can be paired with other attenuating approaches to provide robust protection from heterologous challenge and in vulnerable populations. Coupled with increased safety and reduced pathogenesis, the study highlights the potential for 2'O methyltransferase attenuation as a major component of future live attenuated coronavirus vaccines.

Evolview, evolgenius, SARS-CoV, NSP14 exonuclease↗