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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 433 records · Page 24

Investigating the Role of Biogeochemical Processes in the Northern High Latitudes on Global Climate Feedbacks Using an Efficient Scalable Earth System Model

The overall objectives of this DOE funded project is to combine scientific and computational challenges in climate modeling by expanding our understanding of the biogeophysical-biogeochemical processes and their interactions in the northern high latitudes (NHLs) using an earth system modeling (ESM) approach, and by adopting an adaptive parallel runtime system in an ESM to achieve efficient and scalable climate simulations through improved load balancing algorithms.

54 ENVIRONMENTAL SCIENCES↗

Investigating Power System Primary and Secondary Reserve Interaction under High Wind Power Penetration

Power system frequency needs to be maintained close to its nominal value at all times to successfully balance load and generation and maintain system reliability. Adequate primary frequency response and secondary frequency response are the primary forces to correct an energy imbalance at the second-to-minute level. As wind energy becomes a larger portion of the world's energy portfolio, there is an increased need for wind to provide frequency response. This paper addresses one of the major concerns about using wind for frequency regulation: the unknown factor of the interaction between primary and secondary reserves. The lack of a commercially available tool to model this has limited the energy industry's understanding of when the depletion of primary reserves will impact the performance of secondary response or vice versa. This paper investigates the issue by developing a multi-area frequency response integration tool with combined primary and secondary capabilities. The simulation is conducted in close coordination with economical energy scheduling scenarios to ensure credible simulation results.

17 WIND ENERGY↗

Simulation of Internal Combustion Engines with High-Performance Computing Tools

Traditional Lagrangian spray modeling approaches for internal combustion engines are highly griddependent due to insufficient resolution in the near nozzle region. This is primarily because of inherent restrictions of volume fraction with the Lagrangian assumption together with high computational costs associated with small grid sizes. A state-of-the-art grid-convergent spray modeling approach was developed and implemented by Senecal et al. (ASME-ICEF2012-92043) in the CONVERGE software. The key features of the methodology include Adaptive Mesh Refinement (AMR), advanced liquid-gas momentum coupling, and improved distribution of the liquid phase, which enables use of cell sizes smaller than the nozzle diameter. This modeling approach was rigorously validated against nonevaporating, evaporating, and reacting data from the literature. The current numerical study focusses on further demonstration of the grid-convergent modeling approach for simulating a single-cylinder Cat® compression ignition engine. The simulated injector is characterized with a nominal nozzle exit diameter of 259 μm. Simulations using various minimum grid sizes (ranging from 125 μm to 1000 μm) are compared for engine performance and emissions parameters of interest such as pressure, heat release rate, ignition delay, NOx, HC, and soot emissions. The peak cell-count for the highest resolution simulation was on the order of 34 million. These computationally expensive simulations were facilitated at a high-performance computing facility at Argonne National Laboratory. METIS load-balancing algorithm was developed and implemented in Converge code for the simulations. Scaling studies were also performed. The validity of previously recommended grid settings (ASME-ICEF2012-92043) for accuracy/runtime trade-off is further assessed. Efficacy of a simplified combustion model is also compared against a detailed chemical kinetics based combustion model.

33 ADVANCED PROPULSION SYSTEMS↗

Computing Properties of Hadrons, Nuclei and Nuclear Matter from Quantum Chromodynamics

This project was part of a coordinated software development effort which the nuclear physics lattice QCD community pursues in order to ensure that lattice calculations can make optimal use of present, and forthcoming leadership-class and dedicated hardware, including those of the national laboratories, and prepares for the exploitation of future computational resources in the exascale era. The UW team improved and extended software libraries used in lattice QCD calculations related to multi-nucleon systems, enhanced production running codes related to load balancing multi-nucleon production on large-scale computing platforms, and developed SQLite (addressable database) interfaces to efficiently archive and analyze multi-nucleon data and developed a Mathematica interface for the SQLite databases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Packet Capture Solutions: PcapDB Benchmark for High-Bandwidth Capture, Storage, and Searching

PcapDB stands alone when looking at the overall field of competitors, from the cost-effective COTS hardware, to the efficient utilization of disk space that enables a longer packet history. A scalable, 100GbE-enabled system that indexes every packet and indexes flow data without complicated load-balancing requirements. The Transport Layer search and indexing approach led to patent-pending flow indexing technology, providing a specialized database system specifically optimized around providing fast flow searches. While there are a plethora of options in network packet capture, there are very few that are able to effectively manage capture rates of more than 10 Gb/s, distributed capture and querying, and a responsive user interface. By far, the primary competitor in the market place is Endace and DeepSee; in addition to meeting the technical requirements we set out in this document, they provide technical support and a fully 'appliance like' system. In terms of cost, however, our experience has been that the yearly maintenance charges alone outstrip the entire hardware cost of solutions like PcapDB. Investment in cyber security research and development is a large part of what has enabled us to build the base of knowlegable workers needed to defend government resources in the rapidly evolving cyber security landscape. We believe projects like Bro, WireCap, and Farm do more than just fill temporary gaps in our capabilities. They give allow us to build the firm foundation needed to tackle the next generation of cyber challenges. PcapDB was built with loftier ambitions than simply solving the packet capture of a single lab site, but instead to provide a robust, scaleable packet capture solution to the DOE complex and beyond.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

SIERRA Multimechanics Module: Aria User Manual (V.4.44)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( %3C 1 ) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian- Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton- Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h -adaptivity and dynamic load balancing are some of Aria's more advanced capabilities. Aria is based upon the Sierra Framework.

97 MATHEMATICS AND COMPUTING↗

SIERRA Multimechanics Module: Aria User Manual Version 4.46.

Aria is a Galerkin fnite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process fows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( %3C 1 ) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian- Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton- Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h -adaptivity and dynamic load balancing are some of Aria's more advanced capabilities. Aria is based upon the Sierra Framework.

97 MATHEMATICS AND COMPUTING↗

XPRESS: eXascale PRogramming Environment and System Software

The XPRESS project is the research and development of a complete software architecture for Exascale computing. The four major R&D thrusts include: 1) an Exascale lightweight kernel operating system (LXK), based on the Kitten operating system (OS), to manage billion way hardware parallelism, management of faults and power, management of global virtual name space, and other features of future system architectures; 2) a runtime system (HPX-5), co-designed with LXK, based on the ParalleX execution model that supports dynamic resource management and task scheduling; 3) system interfaces for interoperability between the runtime system and both the OS and the runtime system (RIOS); 4) compilation strategies and systems to translate MPI and OpenMP legacy codes to a form that can be run with performance at least as good as a native code implementation. The software architecture development has been driven by performance evaluation of mini-applications developed at Department of Energy Co-Design Centers as well as ancillary in-house developed applications and benchmarks. Research on the ParalleX execution model has been driven by the development of formal semantics and model checkers for the execution model. The major components of the software architecture are: ParalleX execution model – guiding principles for co-design of components of the system stack with advances in locality management and task prioritization through introspection; HPX runtime system – support of application dynamic adaptive resource management, task scheduling, and introspective control policies; LXK operating system – lightweight kernel operating system for order-constant scalability and low/no noise to manage resources; RIOS – a realm of Exascale system operation unique in the XPRESS project that includes the relationship between the new generation of lightweight kernel operating systems and runtime system software; XPI advanced programming model – intermediate form and low-level (readable) programming interface reflecting the ParalleX model, providing a target for source-to- source high level parallel language translation, and supporting early direct programming experimentation and measurement; Performance models & metrics – providing parameters and their mutual sensitivities to guide co-design and quantify operational behavior; Legacy migration – ensuring seamless transition of legacy codes and programming methods to the future generation of ParalleX-based Exascale systems; . Experiments and evaluation – critical to determining degree of effectiveness and likelihood of ultimate success as well as guiding corrective design changes to achieve DOE objectives; and Applications – collaborations with Co-Design Centers and other mission critical codes. The exemplar implementation of the ParalleX execution model, HPX-5, has been released along with five fully ported applications (LULESH, HPCG, SSSP, WAMR, and DASHMM) and multiple microbenchmarks. Using these applications, the system architecture demonstrated dynamic load balancing through active migration, legacy code migration, and data-driven approaches to for graph-like applications. Crucially for Exascale and billion way parallelism, the needs and patterns of irregular applications in HPX-5 were addressed using local flow control rather than relying on globally synchronized data structures.

97 MATHEMATICS AND COMPUTING↗

SIERRA Multimechanics Module: Aria User Manual Version 4.42

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number (Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian- Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton- Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h-adaptivity and dynamic load balancing are some of Aria's more advanced capabilities. Aria is based upon the Sierra Framework.

97 MATHEMATICS AND COMPUTING↗

Institute for Sustained Performance, Energy, and Resilience (SUPER): University of Utah Final Report

Over the course of this project, computational scientists working on behalf of the Department of Energy's Office of Science (DOE SC) were exploiting a new generation of petascale computing resources to make previously inaccessible discoveries in a broad range of disciplines including physics, chemistry and material science. The computational systems underpinning this work increased in performance potential from tens to hundreds of Pflop/s, and evolved significantly from those in use at the beginning of the project in terms of available concurrency; wider use of accelerators such as graphics processing units(GPUs); and changes to the memory hierarchy including the incorporation of a new generation of persistent devices (e.g., phase change memory). To ensure that DOE's computational scientists can successfully exploit this emerging generation of high performance computing (HPC) systems, the University of Southern California (USC) assembled a broad team of computer scientists with the expertise to address the most pressing challenges of DOE's computing systems: (a) end-to-end performance optimization, including single-node performance, interprocessor communication, load balancing and I/O; (b) performance portability for heterogeneous systems, including accelerators; (c) minimizing energy consumption; (d) resilient computation; and, (e) exploiting new memory technology.

97 MATHEMATICS AND COMPUTING↗

ECP Milestone Memo for 2.3.1.04.16

The DARMA many-task framework provides asynchronous communication and load balancing functionality. This functionality is embedded in standard, modern C++ through the use of the template wrapper classes similar to futures. DARMA codes previously could not interoperate with Kokkos or OpenMP since each runtime assumed sole ownership of thread resources. The most recent version now allows for the use of Kokkos/OpenMP within DARMA tasks, allowing for better performance through thread-level parallelism or use of accelerators.

97 MATHEMATICS AND COMPUTING↗

ECP Milestone Deliverable Memo 2.3.1.04.15

The DARMA many-task framework provides asynchronous communication and load balancing functionality. This functionality is embedded in standard , modern C++ through the use of the template wrapper classes similar to futures. DARMA codes previously could not interoperate with MPI. A new C++ interface and extended semantics now allow quiescence of DARMA kernels and transfer of data ownership back into MPI, allowing 1) isolated DARMA kernels to be inserted in a larger MPI code or 2) reuse of MPI libraries like solvers within a DARMA application.

97 MATHEMATICS AND COMPUTING↗

ECP Milestone Memo for 2.3.1.04.14

The DARMA many-task framework provides asynchronous communication and load balancing functionality. This functionality is embedded in standard, modern C++ through the use of the template wrapper classes similar to futures. DARMA previously functioned as a single, large repository. This simplified building and installation, but hindered agile development as individual components could not be easily updated or reused in other projects. DARMA components can now be developed independently and reused in other ECP projects. Through Spack and modern CMake, a complete DARMA package can be easily configured and installed with automatic dependency management for each of the configuration options.

97 MATHEMATICS AND COMPUTING↗

SIERRA Multimechanics Module: Aria User Manual - Version 4.50

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process fows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( Re < 1 ) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian- Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton- Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h-adaptivity and dynamic load balancing are some of Aria's more advanced capabilities.

97 MATHEMATICS AND COMPUTING↗

Community Project for Accelerator Science and Simulation-3

The focus of the Rensselaer efforts for COMPASS-3 was the development of parallel mesh adaptation procedures for high-order unstructured meshes where elements must be curved to properly approximate the domain geometry. The procedures developed were integrated into the ACE3P accelerator modeling code. Areas of development included: High order curved mesh representations that can provide the orders of geometric approximation needed. A curved mesh adaptation procedure that can match an adaptively defined anisotropic mesh metric field. In-memory integration of these procedures with the Omega3P code to provide an effective parallel adaptive simulation work flow. Improved dynamic load balancing tools that account for the degrees of freedom associated with the various order mesh entities (vertices, edges, faces and regions).

42 ENGINEERING↗

SIERRA Multimechanics Module: Aria User Manual (Version 4.48)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ($Re$ < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian- Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic $h$-adaptivity and dynamic load balancing are some of Aria's more advanced capabilities.

97 MATHEMATICS AND COMPUTING↗

SIERRA Multimechanics Module: Aria Thermal Theory Manual (V.4.54)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number (Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h-adaptivity and dynamic load balancing are some of Aria's more advanced capabilities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SIERRA Multimechanics Module: Aria User Manual (V.4.54)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number (Re %3C 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h-adaptivity and dynamic load balancing are some of Aria's more advanced capabilities.

97 MATHEMATICS AND COMPUTING↗