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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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The Dynamic Socket: A Better Prosthesis

The issues that amputees experience with current prosthetic devices are discussed and how Sandia National Laboratory is working to make them both functional and comfortable to wear.

42 ENGINEERING↗

Visualization Software for VisIT Java Client

The VisIT Java Client (JVC) library is a lightweight thin client that is designed and written purely in the native language of Java (the Python & JavaScript versions of the library use the same concept) and communicates with any new unmodified standalone version of VisIT, a high performance computing parallel visualization toolkit, over traditional or web sockets and dynamically determines capabilities of the running VisIT instance whether local or remote.

Billings, JayJay↗

Visualization Software for VisIT Java Client

The VisIT Java Client (JVC) library is a lightweight thin client that is designed and written purely in the native language of Java (the Python & JavaScript versions of the library use the same concept) and communicates with any new unmodified standalone version of VisIT, a high performance computing parallel visualization toolkit, over traditional or web sockets and dynamically determines capabilities of the running VisIT instance whether local or remote.

Billings, Jay Jay↗

Assessing Advanced Technology in CENATE

PNNL's Center for Advanced Technology Evaluation (CENATE) is a new U.S. Department of Energy center whose mission is to assess and facilitate access to emerging computing technology. CENATE is assessing a range of advanced technologies, from evolutionary to disruptive. Technologies of interest include the processor socket (homogeneous and accelerated systems), memories (dynamic, static, memory cubes), motherboards, networks (network interface cards and switches), and input/output and storage devices. CENATE is developing a multi-perspective evaluation process based on integrating advanced system instrumentation, performance measurements, and modeling and simulation. We show evaluations of two emerging network technologies: silicon photonics interconnects and the Data Vortex network. CENATE's evaluation also addresses the question of which machine is best for a given workload under certain constraints. We show a performance-power tradeoff analysis of a well-known machine learning application on two systems.

Tallent, Nathan R.↗

Dynamic Monte Carlo Transient Analysis with Thermal-Hydraulic Feedback by McCARD/CUPID

The reactor core transient analysis requires neutronics calculations with the thermal-hydraulic (TH) feedback. Recently the dynamic Monte Carlo (DMC) neutron transport algorithm controlling delayed neutron precursors was developed and successfully applied for core transient problems with help of a sub-channel code. In the Seoul National University Monte Carlo (MC) code, McCARD, a DMC scheme for the core transient analysis has been implemented by coupling with a computational fluid dynamics code, CUPID using the TCP/IP socket communication. In the McCARD/CUPID transient calculations, temperature-dependent cross sections are produced by a built-in on-the-fly Doppler broadening (OTF DB) module. This paper presents McCARD/CUPID transient analysis results for a triangular unit cell problem in the IAEA coordinated research project (CRP) benchmark on the high temperature gas cooled reactor (HTGR) uncertainty analysis. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Providing Thermal Stability for an Exascale Supercomputer: A Case Study of Frontier's Cooling System

High performance computing (HPC) systems frequently produce large dynamic power swings, even under typical operating conditions, that can present a significant challenge for their direct-liquid cooling systems. Further, the primary cooling loops that must remove this waste heat have response times measured in minutes while the underlying HPC component thermal stress is measured in seconds. The per-socket power demand for both compute processing units (CPUs) and graphic processing units ( GPUs) continues to increase with each successive generation while case temperatures are declining. New HPC systems are expected to exacerbate the challenge of these dynamic power swings and the impact on effective and timely cooling systems. This paper describes the cooling and controls system for Oak Ridge National Laboratory’s Frontier Supercomputer, the first sustained exascale system, as a case study for this situation. The cooling and control system for Frontier demonstrates specific success, but with a number of trade-offs and decisions that suggest further design and operating optimizations for the community at large to consider.

42 ENGINEERING↗

The Keck keyword layer

Each Keck instrument presents a consistent software view to the user interface programmer. The view consists of a small library of functions, which are identical for all instruments, and a large set of keywords, that vary from instrument to instrument. All knowledge of the underlying task structure is hidden from the application programmer by the keyword layer. Image capture software uses the same function library to collect data for the image header. Because the image capture software and the instrument control software are built on top of the same keyword layer, a given observation can be 'replayed' by extracting keyword-value pairs from the image header and passing them back to the control system. The keyword layer features non-blocking as well as blocking I/O. A non-blocking keyword write operation (such as setting a filter position) specifies a callback to be invoked when the operation is complete. A non-blocking keyword read operation specifies a callback to be invoked whenever the keyword changes state. The keyword-callback style meshes well with the widget-callback style commonly used in X window programs. The first keyword library was built for the two Keck optical instruments. More recently, keyword libraries have been developed for the infrared instruments and for telescope control. Although the underlying mechanisms used for inter-process communication by each of these systems vary widely (Lick MUSIC, Sun RPC, and direct socket I/O, respectively), a basic user interface has been written that can be used with any of these systems. Since the keyword libraries are bound to user interface programs dynamically at run time, only a single set of user interface executables is needed. For example, the same program, 'xshow', can be used to display continuously the telescope's position, the time left in an instrument's exposure, or both values simultaneously. Less generic tools that operate on specific keywords, for example an X display that controls optical instrument exposures, have also been written using the keyword layer.

Conrad, A. R.↗

On the dynamics of a human body model.

Equations of motion for a model of the human body are developed. Basically, the model consists of an elliptical cylinder representing the torso, together with a system of frustrums of elliptical cones representing the limbs. They are connected to the main body and each other by hinges and ball and socket joints. Vector, tensor, and matrix methods provide a systematic organization of the geometry. The equations of motion are developed from the principles of classical mechanics. The solution of these equations then provide the displacement and rotation of the main body when the external forces and relative limb motions are specified. Three simple example motions are studied to illustrate the method. The first is an analysis and comparison of simple lifting on the earth and the moon. The second is an elementary approach to underwater swimming, including both viscous and inertia effects. The third is an analysis of kicking motion and its effect upon a vertically suspended man such as a parachutist.

Huston, R. L.↗

Parallel Computing for Massive Dynamic Contingency Analysis

The first step towards running PSLF in a high-performance computing (HPC) environment was porting PSLF to the Linux operating system from the current shipping target of MS Windows. The target machine was the LLNL Quartz system which is a Linux cluster configured for large parallel jobs. It has 2,688 batch nodes with Dual Socket Intel E5-2695 v4 (Broadwell) CPUs with 18 cores each, with a total of 344,064 GB of memory, each node having 128 GB of memory. Nodes are connected with an Intel Omni-Path 100 GB/s interconnect. Quartz runs the Tri-Laboratory Operating System Software (TOSS) that includes Red Hat Enterprise Linux (RHEL) distribution used on the LLNL HPC machines.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Streaming data analytics via message passing with application to graph algorithms

The need to process streaming data, which arrives continuously at high-volume in real-time, arises in a variety of contexts including data produced by experiments, collections of environmental or network sensors, and running simulations. Streaming data can also be formulated as queries or transactions which operate on a large dynamic data store, e.g. a distributed database. We describe a lightweight, portable framework named PHISH which enables a set of independent processes to compute on a stream of data in a distributed-memory parallel manner. Datums are routed between processes in patterns defined by the application. PHISH can run on top of either message-passing via MPI or sockets via ZMQ. The former means streaming computations can be run on any parallel machine which supports MPI; the latter allows them to run on a heterogeneous, geographically dispersed network of machines. We illustrate how PHISH can support streaming MapReduce operations, and describe streaming versions of three algorithms for large, sparse graph analytics: triangle enumeration, subgraph isomorphism matching, and connected component finding. Lastly, we also provide benchmark timings for MPI versus socket performance of several kernel operations useful in streaming algorithms.

97 MATHEMATICS AND COMPUTING↗

Pseudo Aircraft Systems - A multi-aircraft simulation system for air traffic control research

Pseudo Aircraft Systems (PAS) is a computerized flight dynamics and piloting system designed to provide a high fidelity multi-aircraft real-time simulation environment to support Air Traffic Control research. PAS is composed of three major software components that run on a network of computer workstations. Functionality is distributed among these components to allow the system to execute fast enough to support real-time operation. PAS workstations are linked by an Ethernet Local Area Network, and standard UNIX socket protocol is used for data transfer. Each component of PAS is controlled and operated using a custom designed Graphical User Interface. Each of these is composed of multiple windows, and many of the windows and sub-windows are used in several of the components. Aircraft models and piloting logic are sophisticated and realistic and provide complex maneuvering and navigational capabilities. PAS will continually be enhanced with new features and improved capabilities to support ongoing and future Air Traffic Control system development.

Weske, Reid A.↗

Accelerating Climate and Weather Simulations through Hybrid Computing

Unconventional multi- and many-core processors (e.g. IBM (R) Cell B.E.(TM) and NVIDIA (R) GPU) have emerged as effective accelerators in trial climate and weather simulations. Yet these climate and weather models typically run on parallel computers with conventional processors (e.g. Intel, AMD, and IBM) using Message Passing Interface. To address challenges involved in efficiently and easily connecting accelerators to parallel computers, we investigated using IBM's Dynamic Application Virtualization (TM) (IBM DAV) software in a prototype hybrid computing system with representative climate and weather model components. The hybrid system comprises two Intel blades and two IBM QS22 Cell B.E. blades, connected with both InfiniBand(R) (IB) and 1-Gigabit Ethernet. The system significantly accelerates a solar radiation model component by offloading compute-intensive calculations to the Cell blades. Systematic tests show that IBM DAV can seamlessly offload compute-intensive calculations from Intel blades to Cell B.E. blades in a scalable, load-balanced manner. However, noticeable communication overhead was observed, mainly due to IP over the IB protocol. Full utilization of IB Sockets Direct Protocol and the lower latency production version of IBM DAV will reduce this overhead.

hybrid computing↗

Intelligent uranium fission converter for neutron production on the periphery of the nuclear reactor core (MARIA reactor in Swierk - Poland)

The multipurpose, high flux research reactor MARIA in Otwock - Swierk is an open-pool type, water and beryllium moderated and graphite reflected. There are two not occupied experimental H1 and H2 horizontal channels with complex of empty rooms beside them. Making use of these two channels is not in conflict with other research or commercial employing channels. They can work simultaneously, moreover commercial channels covers the cost of reactor working. Such conditions give beneficial possibility of creating epithermal neutron stand for researches in various field at the horizontal channel H2 of MARIA reactor (co-organization of research at H1 channel is additionally planned). At the front of experimental channels the neutron flux is strongly thermalized - neutrons with energies above 0.625 eV constitute only ∼2% of the total flux. This thermalized neutron flux will be used to achieve high flux of epithermal neutrons at the level of 2x10{sup 9} n cm{sup -2}s{sup -1} by uranium neutron converter (fast neutron production - conversion of reactor core thermal neutrons to fast neutrons - and then filtering, moderating and finally cutting of unwanted gamma radiation). The intelligent converter will be placed in the reactor pool, near the front of the H2 channel. It will replace one graphite block at the periphery of MARIA graphite reflector. The converter will consist of 20 fuel elements - low enriched uranium plates. A fuel plate will be a part which will measure 110 mm wide by 380 mm long and will consist of a thin layer of uranium sealed between two aluminium plates. These plates, once assembled, form the fuel element used in converter. The plates will be positioned vertically. There are several important requirements which should be taken into account at the converter design stage: -maximum efficiency of the converter for neutrons conversion, -cooling of the converter need to be integrated with the cooling circuit of the reactor pool and if needed equipped with self-cooling system (enhanced comparing to the cooling properties inherent with regular rector pool water flows), -proper cooling conditions can be ensured by an appropriate water flow, so the resistance to flow has to be optimised, -the requirement of the minimum resistance to water flow leads to the openwork design of the fuel element separator, which, on the other hand, has to be strong enough to ensure the needed strength for mechanical load due to the fuel weight and forces associated with the water flow, -the possibility of changing beam and flux qualities by rotating the converter or repositioning the converter plates by moving or replacing with another materials. In order to minimize the neutron activation of the fuel in the converter, the possibility was predicted to remove the converter and to replace it with an aluminium dummy for the time when the beam at the channel H2 is not used. This means that both, the converter and the dummy, have to be easily removable from the converter socket. There has to be also the place in the water pool, near the research stand or in technological pool, where the converter can be safely stored (this place have to be proper for operation with plates i.e. changing amount of plates). Thermal and neutron load of the fuel plates in the converter will be inhomogeneous. In order to equalize these loads, the converter should be designed in such way that it would be possible to change the order of fuel plates. Moreover replacing the amount of the plates gives the opportunity to obtain different fluxes of neutrons (quantitatively and qualitatively i.e. energetically). The project of the converter is based on Monte Carlo calculation concerning neutron production and on Computational Fluid Dynamics (CFD) i.e. modelling of converter for thermodynamical aspects. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Porting OVERFLOW CFD Code to GPUs: To Hackathons and Beyond!

OVERFLOW is an overset, structured computational fluid dynamics (CFD) code written in Fortran which is widely used in the government, industry, and academia. Over the last several years the OVERFLOW developers have been working to port miniapps based on computationally expensive parts of OVERFLOW to run on GPUs, primarily using OpenACC. This effort started at our first hackathon in 2019 and since then the OVERFLOW team has attended two additional hackathons (virtually). These hackathon environments have provided a great place to collaborate with others and learn from experts. These learning experiences enabled porting two miniapps to run effectively on NVIDIA GPUs using OpenACC. The first miniapp focused on motifs found in the solver itself and the final ported version runs three times fast ona single V100 compared to a 40 core, dual-socket Intel Skylake node. The speed up in this solverminiapp required multiple design changes including increasing the amount of parallelism available and the amount of work performed in each kernel. The second miniapp focused on overset MPI communication, also saw significant speedups over the CPU implementation using a CUDA-aware MPI implementation through OpenACC. This presentation will discuss our experience at the hackathons, our process of porting the miniapps to run on the GPUs, and several lessons learned throughout.

OpenACC↗

Performance Evaluation of NWChem Ab-Initio Molecular Dynamics (AIMD) Simulations on the Intel® Xeon Phi™ Processor

Ab-initio Molecular Dynamics (AIMD) methods are an important class of algorithms, as they enable scientists to understand the chemistry and dynamics of molecular and condensed phase systems while retaining a first-principles-based description of their interactions. Many-core architectures such as the Intel® Xeon Phi™ processor are an interesting and promising target for these algorithms, as they can provide the computational power that is needed to solve interesting problems in chemistry. In this paper, we describe the efforts of refactoring the existing AIMD plane-wave method of NWChem from an MPI-only implementation to a scalable, hybrid code that employs MPI and OpenMP to exploit the capabilities of current and future many-core architectures. We describe the optimizations required to get close to optimal performance for the multiplication of the tall-and-skinny matrices that form the core of the computational algorithm. We present strong scaling results on the complete AIMD simulation for a test case that simulates 256 water molecules and that strong-scales well on a cluster of 1024 nodes of Intel Xeon Phi processors. We compare the performance obtained with a cluster of dual-socket Intel® Xeon® E5–2698v3 processors.

Environmental Molecular Sciences Laboratory↗

Modular Rake of Pitot Probes

The figure presents selected views of a modular rake of 17 pitot probes for measuring both transient and steady-state pressures in a supersonic wind tunnel. In addition to pitot tubes visible in the figure, the probe modules contain (1) high-frequency dynamic-pressure transducers connected through wires to remote monitoring circuitry and (2) flow passages that lead to tubes that, in turn, lead to remote steady-state pressure transducers. Prior pitot-probe rakes were fabricated as unitary structures, into which the individual pitot probes were brazed. Repair or replacement of individual probes was difficult, costly, and time-consuming because (1) it was necessary to remove entire rakes in order to unbraze individual malfunctioning probes and (2) the heat of unbrazing a failed probe and of brazing a new probe in place could damage adjacent probes. In contrast, the modules in the present probe are designed to be relatively quickly and easily replaceable with no heating and, in many cases, without need for removal of the entire rake from the wind tunnel. To remove a malfunctioning probe, one first removes a screw-mounted V-cross-section cover that holds the probe and adjacent probes in place. Then one removes a screw-mounted cover plate to gain access to the steady-state pressure tubes and dynamicpressure wires. Next, one disconnects the tube and wires of the affected probe. Finally, one installs a new probe in the reverse of the aforementioned sequence. The wire connections can be made by soldering, but to facilitate removal and installation, they can be made via miniature plugs and sockets. The connections between the probe flow passages and the tubes leading to the remote pressure sensors can be made by use of any of a variety of readily available flexible tubes that can be easily pulled off and slid back on for removal and installation, respectively.

Dunlap, Timothy A.↗

Extraction and Separation Modeling of Orion Test Vehicles with ADAMS Simulation

The Capsule Parachute Assembly System (CPAS) project has increased efforts to demonstrate the performance of fully integrated parachute systems at both higher dynamic pressures and in the presence of wake fields using a Parachute Compartment Drop Test Vehicle (PCDTV) and a Parachute Test Vehicle (PTV), respectively. Modeling the extraction and separation events has proven challenging and an understanding of the physics is required to reduce the risk of separation malfunctions. The need for extraction and separation modeling is critical to a successful CPAS test campaign. Current PTV-alone simulations, such as Decelerator System Simulation (DSS), require accurate initial conditions (ICs) drawn from a separation model. Automatic Dynamic Analysis of Mechanical Systems (ADAMS), a Commercial off the Shelf (COTS) tool, was employed to provide insight into the multi-body six degree of freedom (DOF) interaction between parachute test hardware and external and internal forces. Components of the model include a composite extraction parachute, primary vehicle (PTV or PCDTV), platform cradle, a release mechanism, aircraft ramp, and a programmer parachute with attach points. Independent aerodynamic forces were applied to the mated test vehicle/platform cradle and the separated test vehicle and platform cradle. The aero coefficients were determined from real time lookup tables which were functions of both angle of attack ( ) and sideslip ( ). The atmospheric properties were also determined from a real time lookup table characteristic of the Yuma Proving Grounds (YPG) atmosphere relative to the planned test month. Representative geometries were constructed in ADAMS with measured mass properties generated for each independent vehicle. Derived smart separation parameters were included in ADAMS as sensors with defined pitch and pitch rate criteria used to refine inputs to analogous avionics systems for optimal separation conditions. Key design variables were dispersed in a Monte Carlo analysis to provide the maximum expected range of the state variables at programmer deployment to be used as ICs in DSS. Extensive comparisons were made with Decelerator System Simulation Application (DSSA) to validate the mated portion of the ADAMS extraction trajectory. Results of the comparisons improved the fidelity of ADAMS with a ramp pitch profile update from DSSA. Post-test reconstructions resulted in improvements to extraction parachute drag area knock-down factors, extraction line modeling, and the inclusion of ball-to-socket attachments used as a release mechanism on the PTV. Modeling of two Extraction parachutes was based on United States Air Force (USAF) tow test data and integrated into ADAMS for nominal and Monte Carlo trajectory assessments. Video overlay of ADAMS animations and actual C-12 chase plane test videos supported analysis and observation efforts of extraction and separation events. The COTS ADAMS simulation has been integrated with NASA based simulations to provide complete end to end trajectories with a focus on the extraction, separation, and programmer deployment sequence. The flexibility of modifying ADAMS inputs has proven useful for sensitivity studies and extraction/separation modeling efforts. 1

Fraire, Usbaldo, Jr.↗