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At least 1,261 records · Page 70

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DOE OSTI2015

Microfabrication Capabilities & Device Architectures

The last two decades have seen an explosion in worldwide R&D, enabling fundamentally new capabilities while at the same time changing the international technology landscape. The advent of technologies for continued miniaturization and electronics feature size reduction, and for architectural innovations, will have many technical, economic, and national security implications. It is important to anticipate possible microelectronics development directions and their implications on US national interests. This report forecasts and assesses trends and directions for several potentially disruptive microfabrication capabilities and device architectures that may emerge in the next 5-10 years.

42 ENGINEERING↗

DOE OSTI2015

Trends in Microfabrication Capabilities & Device Architectures

36 MATERIALS SCIENCE↗

DOE OSTI2012

Optimization of Forward Wave Modeling on Contemporary HPC Architectures

Reverse Time Migration (RTM) is one of the main approaches in the seismic processing industry for imaging the subsurface structure of the Earth. While RTM provides qualitative advantages over its predecessors, it has a high computational cost warranting implementation on HPC architectures. We focus on three progressively more complex kernels extracted from RTM: for isotropic (ISO), vertical transverse isotropic (VTI) and tilted transverse isotropic (TTI) media. In this work, we examine performance optimization of forward wave modeling, which describes the computational kernels used in RTM, on emerging multi- and manycore processors and introduce a novel common subexpression elimination optimization for TTI kernels. We compare attained performance and energy efficiency in both the single-node and distributed memory environments in order to satisfy industry’s demands for fidelity, performance, and energy efficiency. Moreover, we discuss the interplay between architecture (chip and system) and optimizations (both on-node computation) highlighting the importance of NUMA-aware approaches to MPI communication. Ultimately, our results show we can improve CPU energy efficiency by more than 10× on Magny Cours nodes while acceleration via multiple GPUs can surpass the energy-efficient Intel Sandy Bridge by as much as 3.6×.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Characterization of Proxy Application Performance on Advanced Architectures. UMT2013, MCB, AMG2013

Three codes were tested at LLNL as part of a Tri-Lab effort to make detailed assessments of several proxy applications on various advanced architectures, with the eventual goal of extending these assessments to codes of programmatic interest running more realistic simulations. Teams from Sandia and Los Alamos tested proxy apps of their own. The focus in this report is on the LLNL codes UMT2013, MCB, and AMG2013. We present weak and strong MPI scaling results and studies of OpenMP efficiency on a large BG/Q system at LLNL, with comparison against similar tests on an Intel Sandy Bridge TLCC2 system. The hardware counters on BG/Q provide detailed information on many aspects of on-node performance, while information from the mpiP tool gives insight into the reasons for the differing scaling behavior on these two different architectures. Results from three more speculative tests are also included: one that exploits NVRAM as extended memory, one that studies performance under a power bound, and one that illustrates the effects of changing the torus network mapping on BG/Q.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Multicomponent Protein Cage Architectures for Photocatalysis

The primary goal of the project was to develop protein-templated approaches for the synthesis and directed assembly of semiconductor nanomaterials that are efficient for visible light absorption and hydrogen production. In general, visible-light-driven photocatalysis reactions exhibit low quantum efficiency for solar energy conversion primarily because of materials-related issues and limitations, such as the control of the band gap, band structure, photochemical stability, and available reactive surface area of the photocatalyst. Synthesis of multicomponent hierarchical nano-architectures, consisting of semiconductor nanoparticles (NPs) with desired optical properties fabricated to maximize spatial proximity for optimum electron and energy transfer represents an attractive route for addressing the problem. Virus capsids are highly symmetrical, self-assembling protein cage nanoparticles that exist in a range of sizes and symmetries. Selective deposition of inorganic, by design, at specific locations on virus capsids affords precise control over the size, spacing, and assembly of nanomaterials, resulting in uniform and reproducible nano-architectures. We utilized the self-assembling capabilities of the 420 subunit, 60 nm icosahedral, P22 virus capsid to direct the nucleation, growth, and proximity of a range of component materials. Controlled fabrication on the exterior of the temperature stable shell was achieved by genetically encoding specific binding peptides into an externally exposed loop which is displayed on each of the 420 coat protein subunits. Localization of complimentary materials to the interior of the particle was achieved through the use “scaffolding-fusion proteins. The scaffolding domain drives coat protein polymerization resulting in a coat protein shell surrounding a core of approximately 300 scaffolding/fusion molecules. The fusion domain comprises a peptide which specifically binds the semiconductor material of interest.

08 HYDROGEN↗

DOE OSTI2015

Enabling Co-Design of Multi-Layer Exascale Storage Architectures

Growing demands for computing power in applications such as energy production, climate analysis, computational chemistry, and bioinformatics have propelled computing systems toward the exascale: systems with 10 18 floating-point operations per second. These systems, to be designed and constructed over the next decade, will create unprecedented challenges in component counts, power consumption, resource limitations, and system complexity. Data storage and access are an increasingly important and complex component in extreme-scale computing systems, and significant design work is needed to develop successful storage hardware and software architectures at exascale. Co-design of these systems will be necessary to find the best possible design points for exascale systems. The goal of this work has been to enable the exploration and co-design of exascale storage systems by providing a detailed, accurate, and highly parallel simulation of exascale storage and the surrounding environment. Specifically, this simulation has (1) portrayed realistic application checkpointing and analysis workloads, (2) captured the complexity, scale, and multilayer nature of exascale storage hardware and software, and (3) executed in a timeframe that enables “what if'” exploration of design concepts. We developed models of the major hardware and software components in an exascale storage system, as well as the application I/O workloads that drive them. We used our simulation system to investigate critical questions in reliability and concurrency at exascale, helping guide the design of future exascale hardware and software architectures. Additionally, we provided this system to interested vendors and researchers so that others can explore the design space. We validated the capabilities of our simulation environment by configuring the simulation to represent the Argonne Leadership Computing Facility Blue Gene/Q system and comparing simulation results for application I/O patterns to the results of executions of these I/O kernels on the actual system.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

An S N Algorithm for Modern Architectures

LANL discrete ordinates transport packages are required to perform large, computationally intensive time-dependent calculations on massively parallel architectures, where even a single such calculation may need many months to complete. While KBA methods scale out well to very large numbers of compute nodes, we are limited by practical constraints on the number of such nodes we can actually apply to any given calculation. Instead, we describe a modified KBA algorithm that allows realization of the reductions in solution time offered by both the current, and future, architectural changes within a compute node.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Developing Materials Processing to Performance Modeling Capabilities and the Need for Exascale Computing Architectures (and Beyond)

Additive Manufacturing techniques are presenting the Department of Energy and the NNSA Laboratories with new opportunities to consider novel component production and repair processes, and to manufacture materials with tailored response and optimized performance characteristics. Additive Manufacturing technologies already are being applied to primary NNSA mission areas, including Nuclear Weapons. These mission areas are adapting to these new manufacturing methods, because of potential advantages, such as smaller manufacturing footprints, reduced needs for specialized tooling, an ability to embed sensing, novel part repair options, an ability to accommodate complex geometries, and lighter weight materials. To realize the full potential of Additive Manufacturing as a game-changing technology for the NNSA’s national security missions; however, significant progress must be made in several key technical areas. In addition to advances in engineering design, process optimization and automation, and accelerated feedstock design and manufacture, significant progress must be made in modeling and simulation. First and foremost, a more mature understanding of the process-structure-property-performance relationships must be developed. Because Additive Manufacturing processes change the nature of a material’s structure below the engineering scale, new models are required to predict materials response across the spectrum of relevant length scales, from the atomistic to the continuum. New diagnostics will be required to characterize materials response across these scales. And not just models, but advanced algorithms, next-generation codes, and advanced computer architectures will be required to complement the associated modeling activities. Based on preliminary work in each of these areas, a strong argument for the need for Exascale computing architectures can be made, if a legitimate predictive capability is to be developed.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Plug-and -Play Model Architecture and Development Environment for Powertrain/Propulsion System - Final CRADA Report

Several tools already exist to develop detailed plant model, including GT-Power, AMESim, CarSim, and SimScape. The objective of Autonomie is not to provide a language to develop detailed models; rather, Autonomie supports the assembly and use of models from design to simulation to analysis with complete plug-and-play capabilities. Autonomie provides a plug-and-play architecture to support this ideal use of modeling and simulation for math-based automotive control system design. Models in the standard format create building blocks, which are assembled at runtime into a simulation model of a vehicle, system, subsystem, or component to simulate. All parts of the graphical user interface (GUI) are designed to be flexible to support architectures, systems, components, and processes not yet envisioned. This allows the software to be molded to individual uses, so it can grow as requirements and technical knowledge expands. This flexibility also allows for implementation of legacy code, including models, controller code, processes, drive cycles, and post-processing equations. A library of useful and tested models and processes is included as part of the software package to support a full range of simulation and analysis tasks, immediately. Autonomie also includes a configuration and database management front end to facilitate the storage, versioning, and maintenance of all required files, such as the models themselves, the model’s supporting files, test data, and reports. During the duration of the CRADA, Argonne has worked closely with GM to implement and demonstrate each one of their requirements. A use case was developed by GM for every requirement and demonstrated by Argonne. Each of the new features were verified by GM experts through a series of Gate. Once all the requirements were validated they were presented to the directors as part of GM Gate process.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2018

Multi-threaded Sparse Matrix Sparse Matrix Multiplication for Many-Core and GPU Architectures.

Sparse Matrix-Matrix multiplication is a key kernel that has applications in several domains such as scientific computing and graph analysis. Several algorithms have been studied in the past for this foundational kernel. In this paper, we develop parallel algorithms for sparse matrix- matrix multiplication with a focus on performance portability across different high performance computing architectures. The performance of these algorithms depend on the data structures used in them. We compare different types of accumulators in these algorithms and demonstrate the performance difference between these data structures. Furthermore, we develop a meta-algorithm, kkSpGEMM, to choose the right algorithm and data structure based on the characteristics of the problem. We show performance comparisons on three architectures and demonstrate the need for the community to develop two phase sparse matrix-matrix multiplication implementations for efficient reuse of the data structures involved.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Exploring Heterogeneous Multicore Architectures for Advanced Embedded Uncertainty Quantification

We explore rearrangements of classical uncertainty quantification methods with the aim of achieving higher aggregate performance for uncertainty quantification calculations on emerging multicore and many core architectures. We show a rearrangement of the stochastic Galerkin method leads to improved performance and scalability on several computational architectures whereby uncertainty information is propagated at the lowest levels of the simulation code improving memory access patterns, exposing new dimensions of fine grained parallelism, and reducing communication. We also develop a general framework for implementing such rearrangements for a diverse set of uncertainty quantification algorithms as well as computational simulation codes to which they are applied.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Vanguard Astra and ATSE – an ARM-based Advanced Architecture Prototype System and Software Environment (FY18 L2 Milestone #8759 Report)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Advanced Control Architecture and Sensor Information Development for Process Automation, Optimization, and Imaging of Chemical Looping Systems

The Syngas Chemical Looping (SCL) process developed at The Ohio State University (OSU) uses an iron-based oxygen carrier to convert syngas into high-purity hydrogen while simultaneously capturing carbon dioxide that is readily sequestrable. A 25 kWth sub-pilot unit was successfully demonstrated multiple times on the OSU Clean Coal Research Facility, and a 250 kWth – 3 MWth pilot demonstration unit has been designed and constructed at the National Carbon Capture Center (NCCC) in Wilsonville, Alabama. The focus of this project is to develop multiple technologies to automate the startup and shutdown of chemical looping system. Success of this project will propel the advanced carbon capture method toward commercialization, hence be disruptive to the fossil fuel and power industries. Advanced process automation control architecture and imaging and optimization sensor software were developed for OSU chemical looping process. A high-level controller (HLC) consisting of decision-making and controller-selection logic integrated with sliding mode controllers (SMCs) were developed to perform chemical looping process startup and shutdown. Babcock & Wilcox Power Generation Group’s FocalPoint Optimization System was implemented to optimize the process operating conditions. The process automation controller and optimization information were realized and tested on OSU’s existing sub-pilot chemical looping test unit under atmospheric condition. The implemented control architecture was able to perform the complete process procedure from startup, steady-state reaction operation to shutdown with minimal operator intervention. The controller was also implemented on the pressurized syngas chemical looping (SCL) pilot test unit constructed at the National Carbon Capture Center (NCCC), demonstrating its pressure control capability with a designed transient state trajectory. An electrical capacitance volume tomography (ECVT) sensor device and its software were developed to image the packed moving bed and slugging fluidized bed of oxygen carriers in chemical looping systems at elevated temperatures. The ECVT device constructed was capable of tracking the subtle voidage variance along the moving bed axis as a feature for directly measuring the oxygen carrier particles’ linear velocity. Also, the high temperature ECVT device was used to study the fluidization characteristics of Geldart Group D particles.

08 HYDROGEN↗

DOE OSTI2018

Materials and Device Architectures for Organic Solar Cell Applications: Cooperative Research and Development Final Report, CRADA Number CRD-09-355

The Centre for Organic Photonics & Electronics (COPE) at UQ has been successful in acquiring funding from the Australian Center for Advanced Photovoltaics (ACAP), which is the Australian partner of the Australia-US Institute for Advanced Photovoltaics (AUSIAPV). NREL is a key partner in AUSIAPV (along with other US research institutions (ASU, Sandia NL, LBNL, Stanford, Georgia Tech and UCSB). NREL will collaborate with COPE to advance the science and technology of organic materials for solar cell applications. COPE has significant programs in the development and understanding of new materials for organic optoelectronic applications and, in particular, for thin film bulk heterojunction (BHJ) solar cells and Organic Photodiodes (OPDs). NREL has significant established research programs in all aspects of organic photovoltaic technology and has well-developed expertise in the area of materials characterization, photocarrier transport measurements as well as device fabrication, scale-up and stability. This collaboration will combine the expertise of the two institutions to work towards demonstrating the scalability of organic materials for BHJ and OPD applications by measuring the fundamental properties of the materials as a function of processing and evaluating their performance and stability in photovoltaic devices under simulated illumination conditions. Currently, both NREL and UQ have individual organic material development and processing efforts and have independently demonstrated several prototype materials and device architectures as promising candidates for organic solar cells and OPDs. This CRADA will align these efforts building upon strengths of the two institutions to further design and demonstrate materials and device architectures to advance organic BHJ solar cells and OPDs. It should also be clearly noted that we foreshadow possible expansion of collaborative research activities between COPE and NREL, which currently lie outside the scope of the current statement of work, which will be amended as required by mutually executed written modifications to this CRADA.

14 SOLAR ENERGY↗

DOE OSTI2018

FY18 L2 Milestone #6360 Report: Initial Capability of an Arm-based Advanced Architecture Prototype System and Software Environment

The Vanguard program informally began in January 2017 with the submission of a white paper entitled "Sandia's Vision for a 2019 Arm Testbed" to NNSA headquarters. The program proceeded in earnest in May 2017 with an announcement by Doug Wade (Director, Office of Advanced Simulation and Computing and Institutional R&D at NNSA) that Sandia National Laboratories (Sandia) would host the first Advanced Architecture Prototype platform based on the Arm architecture. In August 2017, Sandia formed a Tri-lab team chartered to develop a robust HPC software stack for Astra to support the Vanguard program goal of demonstrating the viability of Arm in supporting ASC production computing workloads. This document describes the high-level Vanguard program goals, the Vanguard-Astra project acquisition plan and procurement up to contract placement, the initial software stack environment planned for the Vanguard-Astra platform (Astra), a description of how the communities of users will utilize the platform during the transition from the open network to the classified network, and initial performance results.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Microgrid Cyber Security Reference Architecture (V2)

This document describes a microgrid cyber security reference architecture leveraging defense-in-depth techniques that are executed by first describing actor communication using data exchange attributes, then segmenting the microgrid control system network into enclaves, and finally grouping enclaves into functional domains. To illustrate the design approach, two notional microgrid control implementations are presented. Both include a discussion on types of communication occurring on that network, data exchange attributes for the actors, and examples of segmentation via enclaves and functional domains. The second example includes results from Red Team analysis and quantitative scoring according to a novel system that derives naturally from the implementation of the cyber security architecture.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2016

Performance Portability of the Aeras Atmosphere Model to Next Generation Architectures using Kokkos

The subject of this report is the performance portability of the Aeras global atmosphere dynamical core (implemented within the Albany multi-physics code) to new and emerging architecture machines using the Kokkos library and programming model. We describe the process of refactoring the finite element assembly process for the 3D hydrostatic model in Aeras and highlight common issues associated with development on GPU architectures. After giving detailed build and execute instructions for Aeras with MPI, OpenMP and CUDA on the Shannon cluster at Sandia National Laboratories and the Titan supercomputer at Oak Ridge National Laboratory, we evaluate the per- formance of the code on a canonical test case known as the baroclinic instability problem. We show a speedup of up to 4 times on 8 OpenMP threads, but we were unable to achieve a speedup on the GPU due to memory constraints. We conclude by providing methods for improving the performance of the code for future optimization.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

An Architectural Survey of the Test Cell C Historic District, Area 25, Nevada National Security Site, Nye County, Nevada

The U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office (NNSA/NFO) has authorized an updated recording and evaluation of Test Cell C. This facility is part of the former Nuclear Rocket Development Station (NRDS) in Area 25 of Nevada National Security Site (NNSS) in Nye County, Nevada (formerly the Nevada Test Site [NTS]). Future alterations to the facility are anticipated to meet current and future National Weapons Science, Global and Homeland Security Programs, and Environmental Management mission requirements. Therefore, this survey was done to comply with requirements of Section 106 of the National Historic Preservation Act and its implementing regulations, 36 C.F.R. Part 800. An architectural survey of 35.75 acres was completed by Desert Research Institute (DRI). This area also represents the potential Test Cell C Historic District and is identified by NNSA/NFO as the Area of Potential Effect (APE) within which the undertaking may directly cause alterations to the character of historic properties. One resource, Building 25-3210 (SHPO Resource No. B2444), within this area was previously surveyed by DRI. It was found eligible for inclusion in the National Register of Historic Places (NRHP or National Register) under Criteria A and C, and Consideration G. Mitigation of this building was completed prior to its demolition. The APE for reasonably foreseeable effects that may indirectly cause alterations later in time, be farther removed in distance, or be cumulative is the unrecorded NRDS historic district. The present survey updates the previous survey to present standards and expands it to include the entire Test Cell C complex. This includes updated recording and evaluation of the remains of 25-3210 and its 32 previously unrecorded and unevaluated Accessory Resources. The entire complex was recorded as the Test Cell C Historic District (SHPO Resource No. D346), which is eligible for the National Register at the National Level under Criteria A, C, and D. All nine architectural resources in the district are recommended as contributing elements of the Test Cell C Historic District (Figure 2). Of these, four (25-3210 Resource No. B2444, 25-3220 SHPO Resource No. B18110, 25-3226 SHPO Resource No. B18111, and 25-3230-32 SHPO Resource No. B18114) are recommended as individually eligible to the National Register under Criteria A and C, and one (KIWI-TNT [Transient Nuclear Test] SHPO Resource No. S2287) is recommended as individually eligible under Criteria A, C, and D. The remaining four resources (25-3214 SHPO Resource No. B18109, 25-3228 SHPO Resource No. B18112, 25-3229 SHPO Resource No. B18113, and 25-3233 SHPO Resource No. 18115) are not recommended as individually eligible. In addition, the Test Cell C Historic District is regarded as a contributor to the potential national significance of the NRDS Historic District. In 2010, the NTS became the NNSS. Because of the nature of the discussion in the Historic Context below, “NTS” is used throughout that section, otherwise “NNSS” is used to refer to the site. The survey area is located in unplatted sections of T13S R51E Mount Diablo Baseline and Meridian (projected) in Area 25 of the NNSS. It is within the NRDS in Jackass Flats, which has long been recognized as a potential historic district. An oblique aerial photo of the Test Cell C complex is shown on the cover of this report.

54 ENVIRONMENTAL SCIENCES↗