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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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DOE OSTI2018

Data-driven reduced-order models for rank-ordering the high cycle fatigue performance of polycrystalline microstructures

Computationally efficient estimation of the fatigue response of polycrystalline materials is critical for the development of next generation materials in application domains such as transportation, health, security, and energy industries. This is non-trivial for fatigue of polycrystalline metals since the initiation and growth of fatigue cracks depends strongly on attributes of the microstructure, such as the sizes, shapes, orientations, and neighbors of individual grains. Furthermore, regions of microstructure most likely to initiate cracks correspond to the tails of the distributions of the microstructure features. This requires the execution of large numbers of experiments or simulations to capture the response of the material in a statistically meaningful manner. In this work, a linkage is described to connect polycrystalline microstructures to the statistically signified driving forces controlling the high cycle fatigue (HCF) responses. This is achieved through protocols that quantify these microstructures using 2-pt spatial correlations and represent them in a reduced-dimensional space using principal component analysis. Reduced-order relationships are then constructed to link microstructures to performance characteristics related to their HCF responses. As a result, these protocols are demonstrated for α-titanium, which exhibits heterogeneous microstructure features along with significant elastic and inelastic anisotropies at both the microscale and the macroscale.

2-point correlations↗

NASA NTRS2001

Distributed Exhaust Nozzles for Jet Noise Reduction

The main objective of this study is to validate the jet noise reduction potential of a concept associated with distributed exhaust nozzles. Under this concept the propulsive thrust is generated by a larger number of discrete plumes issuing from an array of small or mini-nozzles. The potential of noise reduction of this concept stems from the fact that a large number of small jets will produce very high frequency noise and also, if spaced suitably, they will coalesce at a smaller velocity to produce low amplitude, low frequency noise. This is accomplished through detailed acoustic and fluid measurements along with a Computational Fluidic Dynamic (CFD) solution of the mean (DE) Distributed Exhaust nozzle flowfield performed by Northrop-Grumman. The acoustic performance is quantified in an anechoic chamber. Farfield acoustic data is acquired for a DE nozzle as well as a round nozzle of the same area. Both these types of nozzles are assessed numerically using Computational Fluid Dynamic (CFD) techniques. The CFD analysis ensures that both nozzles issued the same amount of airflow for a given nozzle pressure ratio. Data at a variety of nozzle pressure ratios are acquired at a range of polar and azimuthal angles. Flow visualization of the DE nozzle is used to assess the fluid dynamics of the small jet interactions. Results show that at high subsonic jet velocities, the DE nozzle shifts its frequency of peak amplitude to a higher frequency relative to a round nozzle of equivalent area (from a S(sub tD) = 0.24 to 1. 3). Furthermore, the DE nozzle shows reduced sound pressure levels (as much as 4 - 8 dB) in the low frequency part of the spectrum (less than S(sub tD) = 0.24 ) compared to the round nozzle. At supersonic jet velocities, the DE nozzle does not exhibit the jet screech and the shock-associated broadband noise is reduced by as much as 12 dB.

Ahuja, K. K.↗

DOE OSTI2018

SLoG: Large-Scale Logging Middleware for HPC and Big Data Convergence

Cloud developers traditionally rely on purpose-specific services to provide the storage model they need for an application. In contrast, HPC developers have a much more limited choice, typically restricted to a centralized parallel file system for persistent storage. Unfortunately, these systems often offer low performance when subject to highly concurrent, conflicting I/O patterns. This makes difficult the implementation of inherently concurrent data structures such as distributed shared logs. Yet, this data structure is key to applications such as computational steering, data collection from physical sensor grids, or discrete event generators. In this paper we tackle this issue. We present SLoG, shared log middleware providing a shared log abstraction over a parallel file system, designed to circumvent the aforementioned limitations. We evaluate SLoG’s design on up to 100,000 cores of the Theta supercomputer: the results show high append velocity at scale while also providing substantial benefits for other persistent backend storage systems.

big data↗

DOE OSTI2020

Optimizing High Performance Markov Clustering for Pre-Exascale Architectures

HipMCL is a high-performance distributed memory implementation of the popular Markov Cluster Algorithm (MCL) and can cluster large-scale networks within hours using a few thousand CPU-equipped nodes. It relies on sparse matrix computations and heavily makes use of the sparse matrix-sparse matrix multiplication kernel (SpGEMM). The existing parallel algorithms in HipMCL are not scalable to Exascale architectures, both due to their communication costs dominating the runtime at large concurrencies and also due to their inability to take advantage of accelerators that are increasingly popular. In this work, we systematically remove scalability and performance bottlenecks of HipMCL. We enable GPUs by performing the expensive expansion phase of the MCL algorithm on GPU. Additionally, we propose a CPU-GPU joint distributed SpGEMM algorithm called pipelined Sparse SUMMA and integrate a probabilistic memory requirement estimator that is fast and accurate. Furthermore, we develop a new merging algorithm for the incremental processing of partial results produced by the GPUs, which improves the overlap efficiency and the peak memory usage. We also integrate a recent and faster algorithm for performing SpGEMM on CPUs. We validate our new algorithms and optimizations with extensive evaluations. With the enabling of the GPUs and integration of new algorithms, HipMCL is up to 12.4x faster, being able to cluster a network with 70 million proteins and 68 billion connections just under 15 minutes using 1024 nodes of ORNL's Summit supercomputer.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Can the United States Maintain Its Leadership in High-Performance Computing? - A report from the ASCAC Subcommittee on American Competitiveness and Innovation to the ASCR Office

The United States (U.S.) is no longer the unambiguous leader in the vitally important field of high performance computing (HPC). Japan, the European Union (EU), and China have fielded systems that are on par with our fastest supercomputers. The supply chain for everything from semiconductors to scientific software is globally distributed. Yet our economic future and security depend critically on our ability to innovate faster than our competitors, and the speed of innovation depends increasingly on large-scale computational science and engineering and thus HPC. How should the United States respond to this challenge? This report seeks to initiate a new and potentially transformative national discussion on this vital question. The Department of Energy’s (DOE) Advanced Scientific Computing Research (ASCR) program is well-positioned to make informed, targeted decisions about where the United States should cooperate and where it should compete in the global market for scientific exploration and discovery. By setting its sights on problems critical to our nation and the world, by establishing productive new collaborations, and by making strategic investments, ASCR can restore and maintain U.S. scientific leadership in the critical areas described in this report while strengthening our research infrastructure and training a large, diverse cohort of scientists. In doing so, ASCR and its scientists will pave the way for a secure and prosperous future for America. For more than 30 years, the ASCR program has provided the HPC and networking capabilities and expertise needed to support DOE’s mission to advance the national, economic, and energy security of the United States. The program now faces the challenge of developing and deploying the next generation of HPC systems and technologies, as well as supporting the application of HPC and artificial intelligence (AI) technologies to a wide range of scientific and engineering research problems. Through its research and development efforts, the ASCR program must also advance the state of the art in HPC and accelerate the pace of scientific discovery and technological innovation. Fulfilling this promise will require significantly increased investments, as well as innovative policies and programs. This subcommittee is aware that we are making recommendations and calls for action at a time when federal resources are limited. We understand that a wide range of competing priorities must be balanced by the nation’s leaders and that there is a need to leverage resources in new ways and seek efficiencies in facilities and operations. However, we must not let these realities limit our imagination or silence our advocacy. The ASCR program is a key part of the U.S. research infrastructure and an important component of economic growth and U.S. competitiveness. ASCR has a responsibility to pursue its mission, including advanced scientific computing, applications of AI technologies, and the required advanced research facilities, with determination and enthusiasm. To fulfill the scientific enterprise’s responsibility to the nation, the ASCR program must not only develop and publish a clear vision with an associated list of goals, priorities, and recommendations but also demonstrate scientific leadership by consistently securing long-term funding. This will allow the program to build on its achievements to date, to realize its ambitious vision, and to make lasting contributions to the field.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS2002

Turbulent Navier-Stokes Flow Analysis of an Advanced Semispan Diamond-Wing Model in Tunnel and Free Air at High-Lift Conditions

Turbulent Navier-Stokes computational results are presented for an advanced diamond wing semispan model at low-speed, high-lift conditions. The numerical results are obtained in support of a wind-tunnel test that was conducted in the National Transonic Facility at the NASA Langley Research Center. The model incorporated a generic fuselage and was mounted on the tunnel sidewall using a constant-width non-metric standoff. The computations were performed at to a nominal approach and landing flow conditions.The computed high-lift flow characteristics for the model in both the tunnel and in free-air environment are presented. The computed wing pressure distributions agreed well with the measured data and they both indicated a small effect due to the tunnel wall interference effects. However, the wall interference effects were found to be relatively more pronounced in the measured and the computed lift, drag and pitching moment. Although the magnitudes of the computed forces and moment were slightly off compared to the measured data, the increments due the wall interference effects were predicted reasonably well. The numerical results are also presented on the combined effects of the tunnel sidewall boundary layer and the standoff geometry on the fuselage forebody pressure distributions and the resulting impact on the configuration longitudinal aerodynamic characteristics.

Ghaffari, Farhad↗

NASA NTRS2012

Social Networking Adapted for Distributed Scientific Collaboration

Share is a social networking site with novel, specially designed feature sets to enable simultaneous remote collaboration and sharing of large data sets among scientists. The site will include not only the standard features found on popular consumer-oriented social networking sites such as Facebook and Myspace, but also a number of powerful tools to extend its functionality to a science collaboration site. A Virtual Observatory is a promising technology for making data accessible from various missions and instruments through a Web browser. Sci-Share augments services provided by Virtual Observatories by enabling distributed collaboration and sharing of downloaded and/or processed data among scientists. This will, in turn, increase science returns from NASA missions. Sci-Share also enables better utilization of NASA s high-performance computing resources by providing an easy and central mechanism to access and share large files on users space or those saved on mass storage. The most common means of remote scientific collaboration today remains the trio of e-mail for electronic communication, FTP for file sharing, and personalized Web sites for dissemination of papers and research results. Each of these tools has well-known limitations. Sci-Share transforms the social networking paradigm into a scientific collaboration environment by offering powerful tools for cooperative discourse and digital content sharing. Sci-Share differentiates itself by serving as an online repository for users digital content with the following unique features: a) Sharing of any file type, any size, from anywhere; b) Creation of projects and groups for controlled sharing; c) Module for sharing files on HPC (High Performance Computing) sites; d) Universal accessibility of staged files as embedded links on other sites (e.g. Facebook) and tools (e.g. e-mail); e) Drag-and-drop transfer of large files, replacing awkward e-mail attachments (and file size limitations); f) Enterprise-level data and messaging encryption; and g) Easy-to-use intuitive workflow.

Karimabadi, Homa↗

NASA NTRS1994

Fault tolerant computer control for a Maglev transportation system

Magnetically levitated (Maglev) vehicles operating on dedicated guideways at speeds of 500 km/hr are an emerging transportation alternative to short-haul air and high-speed rail. They have the potential to offer a service significantly more dependable than air and with less operating cost than both air and high-speed rail. Maglev transportation derives these benefits by using magnetic forces to suspend a vehicle 8 to 200 mm above the guideway. Magnetic forces are also used for propulsion and guidance. The combination of high speed, short headways, stringent ride quality requirements, and a distributed offboard propulsion system necessitates high levels of automation for the Maglev control and operation. Very high levels of safety and availability will be required for the Maglev control system. This paper describes the mission scenario, functional requirements, and dependability and performance requirements of the Maglev command, control, and communications system. A distributed hierarchical architecture consisting of vehicle on-board computers, wayside zone computers, a central computer facility, and communication links between these entities was synthesized to meet the functional and dependability requirements on the maglev. Two variations of the basic architecture are described: the Smart Vehicle Architecture (SVA) and the Zone Control Architecture (ZCA). Preliminary dependability modeling results are also presented.

Lala, Jaynarayan H.↗

DOE OSTI2021

Electromagnetic Transient Simulation Algorithms for Evaluation of Large-Scale Extreme Fast Charging Systems (Distribution Grid Models)

The distribution and transmission grids are observing an increased penetration of power electronics in loads and generations. For example, there is increasing interest in integrating in extreme fast charging (XFC) systems for fast charging of electrical vehicles. As these systems are integrated, developing high-fidelity electromagnetic transient model of XFC systems in distribution grids and evaluating their interactions with the power grid would be of significant interest. This model will be utilized for design of XFC systems, to identify upgrades in distribution and/or transmission grids, for planning purposes by transmission planners or operators or owners, among others. It can also be utilized in operations for improved reliable performance of the grid and/or XFC station. The challenge with simulating these models is the high computational complexity introduced by the large number of states present in the system and the time-step needed to simulate the system. In this paper, advanced simulations algorithms are applied to reduce the computational complexity of simulating large-scale XFC systems. The algorithms include numerical stiffness-based segregation, time constant-based segregation, clustering and aggregation on differential algebraic equations (DAEs), and multi-order integration approaches. While the first three algorithms split the matrix that needs to be inverted from a large matrix to much smaller matrices, the final algorithm reduces the computational burden of applying higher-order integration approaches in the complete system. The comparison made in the previous sentence is with respect to use of homogeneous integration approaches used in conventional electromagnetic transient simulators like power systems computer aided design (PSCAD). The approaches mentioned here have resulted in speed-up of 36x in the simulation of a single distribution system with 15 XFCs.

Debnath, Suman↗

DOE OSTI2018

Effect of flow field geometry on operating current density, capacity and performance of vanadium redox flow battery

We report that addition of flow fields to carbon paper electrodes in a vanadium redox flow battery (VRFB) can improve the peak power density through uniform distribution of electrolyte in the electrodes. However, it is unclear whether flow fields have a similar effect with graphite felt electrodes, as VRFBs with felt electrodes reported in literature show a large anomaly in obtained power density. In this work, we evaluate three flow fields; viz. serpentine, interdigitated and conventional (without flow pattern) type with felt electrodes and compare their performance with a serpentine flow field using carbon paper electrodes under identical experimental conditions. The conventional flow field provides highest energy efficiency (75%) followed by serpentine (64%) and interdigitated (55%) at 0.2 A cm -2 attributable to the deteriorating electrolyte distribution in the electrodes. Computation fluid dynamic simulations confirm the experimental finding of worsening electrolyte distribution (conventional < serpentine < interdigitated). A power density of 0.51 W cm -2 at 60 mL min -1 flow rate is obtained for serpentine and conventional flow fields with felt electrodes; comparable to the highest power density reported in literature for high performing zero-gap flow field architecture. Finally, this paper gives comprehensive insights on flow fields for VRFBs that can be extended to other flow batteries.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Asynchronous Iterative Solvers for Extreme-Scale Computing

The Asynchronous Iterative Solvers for Extreme-Scale Computing (AsyncIS) project aims to explore more efficient numerical algorithms by decreasing their overhead. AsyncIS does this by replacing the outer Krylov subspace solver with an asynchronous optimized Schwarz method, thereby removing the global synchronization and bulk synchronous operations typically used in numerical codes. AsyncIS—a U.S. Department of Energy (DOE)-funded collaboration between Georgia Tech, the University of Tennessee, Knoxville, Temple University, and Sandia National Laboratories—also focuses on the development and optimization of asynchronous preconditioners (i.e., preconditioners that are generated and/or applied in an asynchronous fashion). The novel preconditioning algorithms that provide fine-grained parallelism enable preconditioned Krylov solvers to run efficiently on large-scale distributed systems and manycore accelerators like GPUs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

A Scalable Multi-Modal Framework for High-Fidelity Distributed Human Mobility Simulations

The development of data-driven models for human mobility in urban settings requires access to substantial and diverse real-world data. However, existing historical data often presents challenges such as limited volume, variety, and veracity, as well as missing data and privacy preservation concerns. Also, urban mobility modeling is inherently time-variant, complex, and multi-modal, encompassing everything from individual walking and running to private road travel and large-scale public transportation. These challenges call for innovative solutions to overcome data limitations and compute needs to model mobility behaviors accurately. To address these challenges, we propose a distributed, co-simulation-based architecture DURMOSim that integrates real-world data with scalable, high-fidelity simulations, demonstrating distributed co-simulation feasibility with existing mobility models. DURMOSim underpins a modular integration that would enable using any available mobility simulators for greater extensibility and scalability in performing various urban scenarios. In this paper, we present the design, implementation, and performance evaluation of DURMOSim, highlighting its capability to model population-scale mobility patterns. Our initial results show its ability to dynamically synchronize multiple simulation models at runtime with negligible computational overhead. We believe DURMOSim could be a robust tool for advancing urban mobility research and intelligent transportation systems.

Yoginath, Srikanth [ORNL] (ORCID:0000000184236050)↗

DOE OSTI2021

On-Sun Testing of a High-Temperature Solar Receiver's Flux Distribution

Concentrated solar power (CSP) is a promising technology in transitioning to renewable energy because of its abundance in nature and thermal energy storage (TES) capability. Among the four types of available CSP technology, including parabolic trough, linear Fresnel, power tower, and parabolic dishes, a power tower using a central receiver has more potential to generate high-temperature heat in a scale supporting power cycles efficiency and achieve low levelized cost of energy (LCOE). Other than the conventional type of receiver design, the high-absorptive receiver concept developed and presented in this paper is novel in its design approach. The novel receiver design originated from National Renewable Energy Laboratory (NREL) consists of an array of solar flux absorb tubes. The solar absorb tubes require uniform flux distribution and in-depth flux penetration through the three different reflective sections of tubes in a hexagonal shape. To evaluate this unique receiver design and thermal performance, the flux distribution, flux uniformity, and intensity were numerically simulated using ansys fluent and SolTrace modeling program. On-sun testing has been done at NREL high flux solar testing facility, based on the computational analysis.

clean energy↗

DOE OSTI2016

Modeling primary atomization of liquid fuels using a multiphase DNS/LES Approach

We report on the development of a model framework to simulate spray flames from direct injection of liquid fuel into an automotive cylinder engine. The approach to this challenging problem was twofold. On one hand, the interface-capturing multiphase computer code CLSVOF was used to resolve the rapidly evolving, topologically convoluted interfaces that separate the liquid fuel from the gas at injection: the main challenges to address were the treatment of the high-pressure flow inside the injector, which required the inclusion of compressibility effects; and the computational framework necessary to achieve a Direct Numerical Simulation (DNS) level of accuracy. On the other hand, the scales of turbulent fuel mixing and combustion in the cylinder engine were ad- dressed by the high-performance computer code RAPTOR within the Large Eddy Simulation (LES) framework. To couple the two computational methods, a novel methodology was developed to describe the dense spray dynamics in Raptor from the assigned spray size distribution and dispersion angle derived from CLSVOF. This new, independent Eulerian Multi-Fluid (EMF) spray module was developed based on the kinetic description of a system of droplets as a pressure-less gas; as we will show, it was demonstrated to efficiently render the near-nozzle coupling in mass, momentum, and energy with the carrier gas phase.

02 PETROLEUM↗

DOE OSTI2023

UPC++ v1.0 Programmer’s Guide (Rev. 2023.9.0)

UPC++ is a C++ library that supports Partitioned Global Address Space (PGAS) programming. It is designed for writing efficient, scalable parallel programs on distributed-memory parallel computers. The key communication facilities in UPC++ are one-sided Remote Memory Access (RMA) and Remote Procedure Call (RPC). The UPC++ control model is single program, multiple-data (SPMD), with each separate constituent process having access to local memory as it would in C++. The PGAS memory model additionally provides one-sided RMA communication to a global address space, which is allocated in shared segments that are distributed over the processes. UPC++ also features Remote Procedure Call (RPC) communication, making it easy to move computation to operate on data that resides on remote processes. UPC++ was designed to support exascale high-performance computing, and the library interfaces and implementation are focused on maximizing scalability. In UPC++, all communication operations are syntactically explicit, which encourages programmers to consider the costs associated with communication and data movement. Moreover, all communication operations are asynchronous by default, encouraging programmers to seek opportunities for overlapping communication latencies with other useful work. UPC++ provides expressive and composable abstractions designed for efficiently managing aggressive use of asynchrony in programs. Together, these design principles are intended to enable programmers to write applications using UPC++ that perform well even on hundreds of thousands of cores.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

PETSc/TAO Users Manual V.3.21

This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) and the Toolkit for Advanced Optimization (TAO) for the numerical solution of partial differential equations (PDEs) and related problems on high-performance computers. PETSc/TAO is a suite of data structures and routines that provide the building blocks for implementing large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all distributed memory communication. PETSc/TAO includes a large suite of parallel linear solvers, nonlinear solvers, time integrators, and optimizers that may be used in application codes written in Fortran, C, C++, and Python (via petsc4py; see Getting Started ). The library is organized hierarchically, enabling users to employ the abstraction level most appropriate for a particular problem. By using techniques of object-oriented programming, PETSc provides enormous flexibility for users.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

PETSc/TAO Users Manual Revision 3.22

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

PETSc/TAO Users Manual Revision 3.23

97 MATHEMATICS AND COMPUTING↗