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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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NASA NTRS2018

Synergistic and Collaborative Development Strategies for FV3 Powered Next Generation Unified Global Modeling System

The GFDL (Geophysical Fluid Dynamics Laboratory, NOAA - National Oceanic and Atmospheric Administration) Finite-Volume Cubed-Sphere Dynamical Core (FV3) is a scalable and flexible dynamical core capable of both hydrostatic and non-hydrostatic atmospheric simulations. FV3 has been chosen as the dynamical core for the Next Generation Global Prediction System project (NGGPS), designed to upgrade the current NCEP (National Centers for Environmental Prediction, NOAA) operational Global Forecast System (GFS) to run as a unified, fully-coupled system in NOAA's Environmental Modeling System infrastructure. FV3 dynamic core has a long history of serving as the main engine for global atmospheric models at various Government and Academic Research Laboratories including NOAA: GFDL Climate Modeling Suite (AM4 (Atmosphere Modeling 4), CM4 (Climate Model 4) ESM4 (Earth System Model 4), Hiram (HIgh Resolution Atmospheric Model)); NASA: GMAO (Global Modeling and Assimilation Office) Goddard Earth Observing System Model (GEOS); and NCAR (National Center for Atmospheric Research) Community Earth System Model (CESM). The three primary stakeholders in FV3 (GFDL, GMAO, EMC (Environmental Modeling Center - NOAA)) have embarked on synergistic and collaborative strategies with focus on the advancement of non-hydrostratic dynamic core, physics, chemistry, and data assimilation efforts, leveraging collective strengths of each of the partnering agencies. This talk presents the ongoing plans for model advancements at GFDL, GMAO and EMC, with special emphasis on contributions towards developing community based unified global modeling system for operational and research applications at respective organizations. Future plans include extending the collaborations to the development of earth system components including GMAO's aerosol chemistry models (GOCART/MAM (Goddard Chemistry Aerosol Radiation and Transport / Modal Aerosol Model)), Land Information System (LIS), and advanced data assimilation techniques; and GFDL's Modular Ocean Model (MOM) and Sea Ice Simulator (SIS) for transition to operations at NCEP.

Putman, William↗

NASA NTRS2013

ISSM: Ice Sheet System Model

In order to have the capability to use satellite data from its own missions to inform future sea-level rise projections, JPL needed a full-fledged ice-sheet/iceshelf flow model, capable of modeling the mass balance of Antarctica and Greenland into the near future. ISSM was developed with such a goal in mind, as a massively parallelized, multi-purpose finite-element framework dedicated to ice-sheet modeling. ISSM features unstructured meshes (Tria in 2D, and Penta in 3D) along with corresponding finite elements for both types of meshes. Each finite element can carry out diagnostic, prognostic, transient, thermal 3D, surface, and bed slope simulations. Anisotropic meshing enables adaptation of meshes to a certain metric, and the 2D Shelfy-Stream, 3D Blatter/Pattyn, and 3D Full-Stokes formulations capture the bulk of the ice-flow physics. These elements can be coupled together, based on the Arlequin method, so that on a large scale model such as Antarctica, each type of finite element is used in the most efficient manner. For each finite element referenced above, ISSM implements an adjoint. This adjoint can be used to carry out model inversions of unknown model parameters, typically ice rheology and basal drag at the ice/bedrock interface, using a metric such as the observed InSAR surface velocity. This data assimilation capability is crucial to allow spinning up of ice flow models using available satellite data. ISSM relies on the PETSc library for its vectors, matrices, and solvers. This allows ISSM to run efficiently on any parallel platform, whether shared or distrib- ISSM: Ice Sheet System Model NASA's Jet Propulsion Laboratory, Pasadena, California uted. It can run on the largest clusters, and is fully scalable. This allows ISSM to tackle models the size of continents. ISSM is embedded into MATLAB and Python, both open scientific platforms. This improves its outreach within the science community. It is entirely written in C/C++, which gives it flexibility in its design, and the power/speed that C/C++ allows. ISSM is svn (subversion) hosted, on a JPL repository, to facilitate its development and maintenance. ISSM can also model propagation of rifts using contact mechanics and mesh splitting, and can interface to the Dakota software. To carry out sensitivity analysis, mesh partitioning algorithms are available, based on the Scotch, Chaco, and Metis partitioners that ensure equal area mesh partitions can be done, which are then usable for sampling and local reliability methods.

Larour, Eric↗

NASA NTRS2014

Distributed Prognostics based on Structural Model Decomposition

Within systems health management, prognostics focuses on predicting the remaining useful life of a system. In the model-based prognostics paradigm, physics-based models are constructed that describe the operation of a system and how it fails. Such approaches consist of an estimation phase, in which the health state of the system is first identified, and a prediction phase, in which the health state is projected forward in time to determine the end of life. Centralized solutions to these problems are often computationally expensive, do not scale well as the size of the system grows, and introduce a single point of failure. In this paper, we propose a novel distributed model-based prognostics scheme that formally describes how to decompose both the estimation and prediction problems into independent local subproblems whose solutions may be easily composed into a global solution. The decomposition of the prognostics problem is achieved through structural decomposition of the underlying models. The decomposition algorithm creates from the global system model a set of local submodels suitable for prognostics. Independent local estimation and prediction problems are formed based on these local submodels, resulting in a scalable distributed prognostics approach that allows the local subproblems to be solved in parallel, thus offering increases in computational efficiency. Using a centrifugal pump as a case study, we perform a number of simulation-based experiments to demonstrate the distributed approach, compare the performance with a centralized approach, and establish its scalability. Index Terms-model-based prognostics, distributed prognostics, structural model decomposition ABBREVIATIONS

centrifugal pump↗

NASA NTRS2019

High-Performance Computing Optimization for Aladyn – Adaptive Neural Network Molecular Dynamics Mini-Application

This report provides a description and performance evaluation of the optimization techniques for high performance computing (HPC) implementation of the open source Computational Materials mini-application Aladyn (https://github.com/nasa/aladyn). Aladyn is a basic molecular dynamics code written in FORTRAN 2003, which is designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to efficiently reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of the more expensive quantum mechanics-based calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory (DFT) method. While achieving orders of magnitude faster computational performance than DFT, the ANN-based approach was still very computationally demanding compared to the conventional approach of using empirically fitted energy functions. After its initial development, Aladyn was evaluated and optimized by experts at the NASA Advanced Supercomputing (NAS) division to exploit modern supercomputer architectures. The code has been optimized for execution on multicore central processing units (CPUs), including Intel® Skylake microarchitecture, and on graphic accelerators, such as Nvidia® V100 graphic processing units (GPUs), using Open Multi-Processing (OpenMP) and Open Accelerators (OpenACC) programming interfaces. The optimization achieved a speedup of 4.7 times the baseline version on CPU performance and an additional 2.4 times on CPU+GPU performance. Atomistic computer simulations are a fundamental tool in materials research to model material properties form physics-based first principles. Atomic interaction, governed by Quantum Mechanics (QM) require sophisticated and highly computationally demanding mathematical models to calculate [1]. Classical methods use approximate functional forms, empirically fitted through a set of variable parameters to emulate atomic energies as direct functions of atomic coordinates [2]. While empirical potentials are computationally much simpler, allowing simulations of large-scale systems of up to a trillion (1012) atoms [3], they are substantially less accurate compared to quantum calculations and applicable only to very specific atomic configurations or predefined crystallographic phases. A recently suggested approach is to use heuristic machine learning methods [4], such as those based on Adaptive Neural Networks (ANNs) to predict atomic energies, after being trained on a sufficiently large database of QM-calculated structures [5,6]. This approach reduces significantly the computational complexity, allowing for simulations of orders of magnitude larger systems compared to QM-based methods without compromising accuracy. Still, compared to classical methods using empirical energy functions, ANN methods remain two- to three orders of magnitude more computationally demanding. Hence, the computational cost of simulations, together with the need for extensive training of ANNs, still makes the practical implementation of ANN-based methods quite challenging. The purpose of the Aladyn mini-application software [7], available as open source at https://github.com/nasa/aladyn, is to be a testbed for exploring possible optimization strategies to develop highly scalable parallel algorithms for ANN-based atomistic simulations. Aladyn is aimed at utilizing the architecture of the high-end modern highperformance computing (HPC) hardware based on multicore central processing units (CPUs) equipped with graphic processing unit (GPU) accelerators. Specifically, the goal is to optimize the performance on a single HPC compute node, before implementing scaling to multi-node parallelization using message passing interface (MPI). At the same time, the open source code of Aladyn can serve as a training model for students and professors in academia.

Yamakov, Vesselin I.↗

NASA NTRS2018

Measurements to Understand the Flow Mechanisms Contributing to Tandem-Rotor Outwash

Downwash and outwash characteristics of a model-scale tandem-rotor system in the presence of the ground were analyzed by identifying and understanding the physical mechanisms contributing to the observed flow field behavior. A building block approach was followed in simplifying the problem, separating the effects of the fuselage, effects of one rotor on the other, etc. Flow field velocities were acquired in a vertical plane at four aircraft azimuths of a small-scale tandem rotor system using the particle image velocimetry (PIV) technique for radial distances up to 4 times the rotor diameter. Results were compared against full-scale CH-47D measurements. Excellent correlation was found between the small- and full-scale mean flow fields (after appropriate normalization using rotor and wall jet parameters). Following the scalability analysis, the effect of rotor height on the outwash was also studied. Close to the aircraft, an increase in rotor height above ground decreased the outwash velocity at all aircraft azimuths. However, farther away, the longitudinal and lateral axes of the aircraft showed increasing and decreasing outwash velocities, respectively, with increasing rotor height. Measurements also indicated the presence of large-scale (of the size of the rotor height) shear-layer vortical structures along the ground that could be the source of low-frequency (approximately 1 Hz) flow variation observed in the full-scale measurements. Flow visualization studies and PIV measurements were also made on jets of different sizes to complement the observations made on rotors wherever possible. Baseline rotor measurements were made out-of-ground effect to understand the nature of inflow distribution for realistic rotor configurations and their modified characteristics in the presence of ground. Lastly, a feasibility study on applying high-fidelity CFD simulations for outwash study was conducted using Helios to model an isolated rotor configuration IGE at full scale Reynolds number. The results were encouraging and demonstrated the practical challenges associated with predicting rotor outwash.

Measurements↗

NASA NTRS2015

Measurements to Understand the Flow Mechanisms Contributing to Tandem-Rotor Outwash

Downwash and outwash characteristics of a model-scale tandem-rotor system in the presence of the ground were analyzed by identifying and understanding the physical mechanisms contributing to the observed flow field behavior. A building block approach was followed in simplifying the problem, separating the effects of the fuselage, effects of one rotor on the other, etc. Flow field velocities were acquired in a vertical plane at four aircraft azimuths of a small-scale tandem rotor system using the particle image velocimetry (PIV) technique for radial distances up to 4 times the rotor diameter. Results were compared against full-scale CH-47D measurements. Excellent correlation was found between the small- and full-scale mean flow fields (after appropriate normalization using rotor and wall jet parameters). Following the scalability analysis, the effect of rotor height on the outwash was also studied. Close to the aircraft, an increase in rotor height above ground decreased the outwash velocity at all aircraft azimuths. However, farther away, the longitudinal and lateral axes of the aircraft showed increasing and decreasing outwash velocities, respectively, with increasing rotor height. Measurements also indicated the presence of large-scale (of the size of the rotor height) shear-layer vortical structures along the ground that could be the source of low-frequency (approximately 1 Hz) flow variation observed in the full-scale measurements. Flow visualization studies and PIV measurements were also made on jets of different sizes to complement the observations made on rotors wherever possible. Baseline rotor measurements were made out-of-ground effect to understand the nature of inflow distribution for realistic rotor configurations and their modified characteristics in the presence of ground. Lastly, a feasibility study on applying high-fidelity CFD simulations for outwash study was conducted using Helios to model an isolated rotor configuration IGE at full-scale Reynolds number. The results were encouraging and demonstrated the practical challenges associated with predicting rotor outwash.

Ramasamy, Manikandan↗

NASA NTRS2000

NPSS on NASA's IPG: Using CORBA and Globus to Coordinate Multidisciplinary Aeroscience Applications

Within NASA's High Performance Computing and Communication (HPCC) program, the NASA Glenn Research Center is developing an environment for the analysis/design of aircraft engines called the Numerical Propulsion System Simulation (NPSS). The vision for NPSS is to create a "numerical test cell" enabling full engine simulations overnight on cost-effective computing platforms. To this end, NPSS integrates multiple disciplines such as aerodynamics, structures, and heat transfer and supports "numerical zooming" between O-dimensional to 1-, 2-, and 3-dimensional component engine codes. In order to facilitate the timely and cost-effective capture of complex physical processes, NPSS uses object-oriented technologies such as C++ objects to encapsulate individual engine components and CORBA ORBs for object communication and deployment across heterogeneous computing platforms. Recently, the HPCC program has initiated a concept called the Information Power Grid (IPG), a virtual computing environment that integrates computers and other resources at different sites. IPG implements a range of Grid services such as resource discovery, scheduling, security, instrumentation, and data access, many of which are provided by the Globus toolkit. IPG facilities have the potential to benefit NPSS considerably. For example, NPSS should in principle be able to use Grid services to discover dynamically and then co-schedule the resources required for a particular engine simulation, rather than relying on manual placement of ORBs as at present. Grid services can also be used to initiate simulation components on parallel computers (MPPs) and to address inter-site security issues that currently hinder the coupling of components across multiple sites. These considerations led NASA Glenn and Globus project personnel to formulate a collaborative project designed to evaluate whether and how benefits such as those just listed can be achieved in practice. This project involves firstly development of the basic techniques required to achieve co-existence of commodity object technologies and Grid technologies; and secondly the evaluation of these techniques in the context of NPSS-oriented challenge problems. The work on basic techniques seeks to understand how "commodity" technologies (CORBA, DCOM, Excel, etc.) can be used in concert with specialized "Grid" technologies (for security, MPP scheduling, etc.). In principle, this coordinated use should be straightforward because of the Globus and IPG philosophy of providing low-level Grid mechanisms that can be used to implement a wide variety of application-level programming models. (Globus technologies have previously been used to implement Grid-enabled message-passing libraries, collaborative environments, and parameter study tools, among others.) Results obtained to date are encouraging: we have successfully demonstrated a CORBA to Globus resource manager gateway that allows the use of CORBA RPCs to control submission and execution of programs on workstations and MPPs; a gateway from the CORBA Trader service to the Grid information service; and a preliminary integration of CORBA and Grid security mechanisms. The two challenge problems that we consider are the following: 1) Desktop-controlled parameter study. Here, an Excel spreadsheet is used to define and control a CFD parameter study, via a CORBA interface to a high throughput broker that runs individual cases on different IPG resources. 2) Aviation safety. Here, about 100 near real time jobs running NPSS need to be submitted, run and data returned in near real time. Evaluation will address such issues as time to port, execution time, potential scalability of simulation, and reliability of resources. The full paper will present the following information: 1. A detailed analysis of the requirements that NPSS applications place on IPG. 2. A description of the techniques used to meet these requirements via the coordinated use of CORBA and Globus. 3. A description of results obtained to date in the first two challenge problems.

Lopez, Isaac↗