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A cell-centered AMR-ALE framework for 3D multi-material hydrodynamics. Part I: Lagrangian and indirect Euler AMR algorithms

Many applications of physics and engineering involve wide ranges of time and spatial scales. The numerical simulation of localized small scales such as shock waves and material interfaces requires a large number of computational cells in these regions. For these applications, Lagrangian and Arbitrary-Lagrangian-Eulerian (ALE) related methods are engaging since the moving mesh feature naturally brings mesh cells on shock discontinuities and material interfaces are carefully captured. In addition, Adaptive-Mesh-Refinement (AMR) strategies aim to optimize computational resources by concentrating finer mesh cells only in areas of interest while using coarser cells elsewhere. A key but challenging AMR requirement consists in efficiently distributing the computational effort to achieve high accuracy without the prohibitive computational costs associated with uniformly fine grids. Here, in this document, the coupling of the p4est AMR library with a cell-centered Lagrangian scheme is presented with the goal to perform reliable 3D Lagrangian-AMR and indirect Euler-AMR multi-material simulations. In particular, it is shown that starting from a 3D indirect ALE code, the memory management and load balancing requirements can be delegated to an external library (here the p4est library) to unlock ALE-AMR capabilities. First, we present a strategy to transcribe the octant-based connectivity of the 3D AMR framework with that of an unstructured mesh of polygonal cells used in Lagrangian hydrodynamics. Then, we show how refinement and coarsening operations must be adapted to the particular Lagrangian framework to ensure the conservation of volume during those steps. Finally, several numerical test cases are presented that demonstrate the capabilities of the Lagrangian-AMR and indirect Euler-AMR algorithms.

3D cell-centered Lagrangian numerical scheme↗

System and Propagation Availability Analysis for NASA's Advanced Air Transportation Technologies

This report summarizes the research on the System and Propagation Availability Analysis for NASA's project on Advanced Air Transportation Technologies (AATT). The objectives of the project were to determine the communication systems requirements and architecture, and to investigate the effect of propagation on the transmission of space information. In this report, results from the first year investigation are presented and limitations are highlighted. To study the propagation links, an understanding of the total system architecture is necessary since the links form the major component of the overall architecture. This study was conducted by way of analysis, modeling and simulation on the system communication links. The overall goals was to develop an understanding of the space communication requirements relevant to the AATT project, and then analyze the links taking into consideration system availability under adverse atmospheric weather conditions. This project began with a preliminary study of the end-to-end system architecture by modeling a representative communication system in MATLAB SIMULINK. Based on the defining concepts, the possibility of computer modeling was determined. The investigations continue with the parametric studies of the communication system architecture. These studies were also carried out with SIMULINK modeling and simulation. After a series of modifications, two end-to-end communication links were identified as the most probable models for the communication architecture. Link budget calculations were then performed in MATHCAD and MATLAB for the identified communication scenarios. A remarkable outcome of this project is the development of a graphic user interface (GUI) program for the computation of the link budget parameters in real time. Using this program, one can interactively compute the link budget requirements after supplying a few necessary parameters. It provides a framework for the eventual automation of several computations required in many experimental NASA missions. For the first year of this project, most of the stated objectives were accomplished. We were able to identify probable communication systems architectures, model and analyze several communication links, perform numerous simulation on different system models, and then develop a program for the link budget analysis. However, most of the work is still unfinished. The effect of propagation on the transmission of information in the identified communication channels has not been performed. Propagation effects cannot be studied until the system under consideration is identified and characterized. To study the propagation links, an understanding of the total communications architecture is necessary. It is important to mention that the original project was intended for two years and the results presented here are only for the first year of research. It is prudent therefore that these efforts be continued in order to obtain a complete picture of the system and propagation availability requirements.

Ugweje, Okechukwu C.↗

The effects of a dynamic graphical model during simulation-based training of console operation skill

LOADER is a Windows-based simulation of a complex procedural task. The task requires subjects to execute long sequences of console-operation actions (e.g., button presses, switch actuations, dial rotations) to accomplish specific goals. The LOADER interface is a graphical computer-simulated console which controls railroad cars, tracks, and cranes in a fictitious railroad yard. We hypothesized that acquisition of LOADER performance skill would be supported by the representation of a dynamic graphical model linking console actions to goal and goal states in the 'railroad yard'. Twenty-nine subjects were randomly assigned to one of two treatments (i.e., dynamic model or no model). During training, both groups received identical text-based instruction in an instructional-window above the LOADER interface. One group, however, additionally saw a dynamic version of the bird's-eye view of the railroad yard. After training, both groups were tested under identical conditions. They were asked to perform the complete procedure without guidance and without access to either type of railroad yard representation. Results indicate that rather than becoming dependent on the animated rail yard model, subjects in the dynamic model condition apparently internalized the model, as evidenced by their performance after the model was removed.

Farquhar, John D.↗

Coupling Subsurface and Above-Surface Models for Optimizing the Design of Borefields and District Heating and Cooling Systems

Accurate dynamic energy simulation is important for the design and sizing of district heating and cooling systems with geothermal heat exchange for seasonal energy storage. Current modeling approaches in building and district energy simulation tools typically consider heat conduction through the ground between boreholes without flowing groundwater. While detailed simulation tools for subsurface heat and mass transfer exist, these fall short in simulating above-surface energy systems. To support the design and operation of such systems, the study developed a coupled model including a software package for building and district energy simulation, and software for detailed heat and mass transfer in the subsurface. For the first, it uses the open-source Modelica Buildings Library, which includes dynamic simulation models for building and district energy and control systems. For the heat and mass transfer in the soil, it uses the TOUGH simulator. The TOUGH family of codes can model heat and multi-phase, multi-component mass transport for a variety of fluid systems, as well as chemical reactions, in fractured porous media. The study validated the coupled modeling approach by comparing the simulation results with one from the g-function based ground response model. It then looked into effects when the water table and the regional groundwater flow are considered in the ground, from the perspective of heat exchange between borehole and ground, and the electrical consumption of the district heating and cooling systems. To access the simulation models, please find the links in the submission: -- For coupled approach validation: see model Buildings.Fluid.Geothermal.Borefields.Examples.BorefieldsWithTough and Buildings.Examples.DistrictReservoirNetworks.Examples.Reservoir3Variable_TOUGH from the "Modelica Building Library" resource, branch issue1495_tough_interface, commit a2667c0. -- For the study of the effect of water table: see model Buildings.Examples.DistrictReservoirNetworks.Examples.Reservoir3Variable_TOUGH from he "Modelica Building Library" resource, branch issue1495_tough_interface_moreIO, commit 760de49. -- For the study of the effect of regional groundwater flow: see Buildings.Examples.DistrictReservoirNetworks.Examples.Reservoir3Variable_TOUGH from he "Modelica Building Library" resource, branch issue1495_tough_interface_moreIO_3D, commit c2a2d2a. The coupling interface script "GrounResponse.py" can be found from the above links in the folder Buildings/Resources/Python-Sources. Also, the needed files for TOUGH simulation are in the folder Buildings/Resources/Python-Sources/ToughFiles that can be accessed through the above links. A brief description of these files is given below; detailed specifications for the first three files may be found in the TOUGH3 Users Guide (Jung et al., 2018) https://tough.lbl.gov/documentation/tough-manuals/. (1) INCON - initial conditions for each grid block (2) INFILE - main input file with material properties and control parameters (3) MESH - description of the computational grid (4) readsave - Modelica/TOUGH interface program: read the final output of TOUGH simulation after TOUGH time step and prepare for transfer to Modelica for next Modelica time step (5) readsave.inp - input parameters for program readsave (6) writeincon - Modelica/TOUGH interface program: write the output of Modelica after Modelica time step and prepare for transfer to TOUGH as initial conditions for the next TOUGH step (7) writeincon.inp - input parameters for program writeincon

15 GEOTHERMAL ENERGY↗

PNNL-Predictive-Phenomics/ProCaliper

ProCaliper is a Python library that curates, organizes, and computes protein structure features in a way that easily interfaces with user-provided experimental data. It extracts or computes protein binding site, active site, charge, pLDDT (order/disorder), acid dissociation, protonation, solvent accessible surface area, disulfide bond distance, and protein secondary structure data using precomputed protein structures and publicly available databases. It provides a unified API for integrating additional residue-level data and for visualizing residue features in 3D.

Rozum, Jordan [Pacific Northwest National Lab]↗

Computer Based Training: Field Deployable Trainer and Shared Virtual Reality

Astronaut training has traditionally been conducted at specific sites with specialized facilities. Because of its size and nature the training equipment is generally not portable. Efforts are now under way to develop training tools that can be taken to remote locations, including into orbit. Two of these efforts are the Field Deployable Trainer and Shared Virtual Reality projects. Field Deployable Trainer NASA has used the recent shuttle mission by astronaut Shannon Lucid to the Russian space station, Mir, as an opportunity to develop and test a prototype of an on-orbit computer training system. A laptop computer with a customized user interface, a set of specially prepared CD's, and video tapes were taken to the Mir by Ms. Lucid. Based upon the feedback following the launch of the Lucid flight, our team prepared materials for the next Mir visitor. Astronaut John Blaha will fly on NASA/MIR Long Duration Mission 3, set to launch in mid September. He will take with him a customized hard disk drive and a package of compact disks containing training videos, references and maps. The FDT team continues to explore and develop new and innovative ways to conduct offsite astronaut training using personal computers. Shared Virtual Reality Training NASA's Space Flight Training Division has been investigating the use of virtual reality environments for astronaut training. Recent efforts have focused on activities requiring interaction by two or more people, called shared VR. Dr. Bowen Loftin, from the University of Houston, directs a virtual reality laboratory that conducts much of the NASA sponsored research. I worked on a project involving the development of a virtual environment that can be used to train astronauts and others to operate a science unit called a Biological Technology Facility (BTF). Facilities like this will be used to house and control microgravity experiments on the space station. It is hoped that astronauts and instructors will ultimately be able to share common virtual environments and, using telephone links, conduct interactive training from separate locations.

Mullen, Terence J.↗

The ECP SICM project: Managing complex memory hierarchies for exascale applications

The Exascale Computing Project (ECP)’s Simplified Interface to Complex Memories (SICM) effort focuses on developing universal interfaces for discovering, managing, and sharing data across complex memory hierarchies. These facilitate the exploitation of emerging memory technologies and support precise control over their various trade-offs such as high-bandwidth versus low-latency, persistent versus ephemeral, high-capacity versus low-capacity, and near-CPU versus near-GPU. SICM comprises three interrelated components: a low-level interface, a high-level interface, and a persistent-heap interface. The low-level SICM interface is intended for system and run-time developers as well as expert application developers who prefer full control of the memory objects used within their application. The high-level SICM interface builds upon the low-level interface, employing application-level profiling and analysis to optimize data management for complex memory hierarchies. The persistent-heap interface provides applications with a persistent memory allocator that can allocate custom C++ data structures in both block-storage and byte-addressable persistent memories.

97 MATHEMATICS AND COMPUTING↗

Logistical Consideration in Computer-Based Screening of Astronaut Applicants

This presentation reviews the logistical, ergonomic, and psychometric issues and data related to the development and operational use of a computer-based system for the psychological screening of astronaut applicants. The Behavioral Health and Performance Group (BHPG) at the Johnson Space Center upgraded its astronaut psychological screening and selection procedures for the 1999 astronaut applicants and subsequent astronaut selection cycles. The questionnaires, tests, and inventories were upgraded from a paper-and-pencil system to a computer-based system. Members of the BHPG and a computer programmer designed and developed needed interfaces (screens, buttons, etc.) and programs for the astronaut psychological assessment system. This intranet-based system included the user-friendly computer-based administration of tests, test scoring, generation of reports, the integration of test administration and test output to a single system, and a complete database for past, present, and future selection data. Upon completion of the system development phase, four beta and usability tests were conducted with the newly developed system. The first three tests included 1 to 3 participants each. The final system test was conducted with 23 participants tested simultaneously. Usability and ergonomic data were collected from the system (beta) test participants and from 1999 astronaut applicants who volunteered the information in exchange for anonymity. Beta and usability test data were analyzed to examine operational, ergonomic, programming, test administration and scoring issues related to computer-based testing. Results showed a preference for computer-based testing over paper-and -pencil procedures. The data also reflected specific ergonomic, usability, psychometric, and logistical concerns that should be taken into account in future selection cycles. Conclusion. Psychological, psychometric, human and logistical factors must be examined and considered carefully when developing and using a computer-based system for psychological screening and selection.

Galarza, Laura↗

The use of graphics in the design of the human-telerobot interface

The Man-Systems Telerobotics Laboratory (MSTL) of NASA's Johnson Space Center employs computer graphics tools in their design and evaluation of the Flight Telerobotic Servicer (FTS) human/telerobot interface on the Shuttle and on the Space Station. It has been determined by the MSTL that the use of computer graphics can promote more expedient and less costly design endeavors. Several specific examples of computer graphics applied to the FTS user interface by the MSTL are described.

Stuart, Mark A.↗

Program For Generating Interactive Displays

Sun/Unix version of Transportable Applications Environment Plus (TAE+) computer program provides integrated, portable software environment for developing and running interactive window, text, and graphical-object-based application software systems. Enables programmer or nonprogrammer to construct easily custom software interface between user and application program and to move resulting interface program and its application program to different computers. Plus viewed as productivity tool for application developers and application end users, who benefit from resultant consistent and well-designed user interface sheltering them from intricacies of computer. Available in form suitable for following six different groups of computers: DEC VAX station and other VMS VAX computers, Macintosh II computers running AUX, Apollo Domain Series 3000, DEC VAX and reduced-instruction-set-computer workstations running Ultrix, Sun 3- and 4-series workstations running Sun OS and IBM RT/PC and PS/2 compute

Costenbader, Jay↗

Thermocapillary flow and melt/solid interfaces in floating-zone crystal growth under microgravity

Computer simulation of steady-state axisymmetrical heat transfer and fluid flow was conducted to study thermocapillary flow and melt/solid interfaces in floating-zone crystal growth under microgravity. The effects of key variables on the extent of thermocapillary flow in the melt zone, the shapes of melt/solid interfaces and the length of the melt zone were discussed. These variables are: (1) the temperature coefficient of surface tension (or the Marangoni number), (2) the pulling speed (or the Peclet number), (3) the feed rod radius, (4) the ambient temperature distribution, (5) the heat transfer coefficient (or the Biot number), and (6) the thermal diffusivity of the material (or the Prandtl number).

Lan, C. W.↗

Flexible Peripheral Component Interconnect Input/Output Card

The Flexible Peripheral Component Interconnect (PCI) Input/Output (I/O) Card is an innovative circuit board that provides functionality to interface between a variety of devices. It supports user-defined interrupts for interface synchronization, tracks system faults and failures, and includes checksum and parity evaluation of interface data. The card supports up to 16 channels of high-speed, half-duplex, low-voltage digital signaling (LVDS) serial data, and can interface combinations of serial and parallel devices. Placement of a processor within the field programmable gate array (FPGA) controls an embedded application with links to host memory over its PCI bus. The FPGA also provides protocol stacking and quick digital signal processor (DSP) functions to improve host performance. Hardware timers, counters, state machines, and other glue logic support interface communications. The Flexible PCI I/O Card provides an interface for a variety of dissimilar computer systems, featuring direct memory access functionality. The card has the following attributes: 8/16/32-bit, 33-MHz PCI r2.2 compliance, Configurable for universal 3.3V/5V interface slots, PCI interface based on PLX Technology's PCI9056 ASIC, General-use 512K 16 SDRAM memory, General-use 1M 16 Flash memory, FPGA with 3K to 56K logical cells with embedded 27K to 198K bits RAM, I/O interface: 32-channel LVDS differential transceivers configured in eight, 4-bit banks; signaling rates to 200 MHz per channel, Common SCSI-3, 68-pin interface connector.

Bigelow, Kirk K.↗

Development and Experimental Optimization of High-Temperature Modeling Tools and Methods for Concentrated Solar Power Particle - Systems

A novel, open-source radiative modeling toolset was developed to extend the functionality of particle-based modeling software (e.g. discrete element method (DEM)) to environmental conditions relevant to concentrated solar power applications. This toolset was optimized for deployment on desktop workstations instead of high-performance computing systems, to render such tools more accessible to the research community. Both particle-based modeling and radiative exchange modeling are computationally expensive and often require specialized programming expertise, making these methods cumbersome to use. Recent developments in DEM software by DCS Computing have greatly reduced these challenges, providing a graphical-user-interface based platform and modeling optimization for desktop workstations, HPCs, and cloud computing. The University of Dayton leveraged the experience of DCS Computing in developing a user-friendly, open-source radiative heat transfer expansion for DEM modeling. The University of Dayton DEM+ radiative modeling toolset was developed using a combination of fundamental experimental measurements, modeling, and simplified flow experiments over a range of temperatures and flow conditions. The toolset provides researchers with access to multiple radiative models including an accelerated Monte-Carlo Ray Tracing (application agnostic, highly computationally expensive), an expanded database of distance-based approximations (application limited, computationally light), and a weighted blending of the two methods capable of achieving over 90% reduction in computation time with equivalent accuracy compared to Monte-Carlo Ray Tracing. Through a graphical user interface, users can customize the radiative models to match their desired accuracy and available computational resources, improving access to particle based modeling for the research community. Ceramic sintered bauxite proppants were used in modeling and experimentally as a baseline. Both the radiative heat transfer and flow properties for particulate systems were investigated at elevated temperatures up to 800 °C. The major accomplishments for this work include a verified, open-source radiative modeling toolset to be distributed amongst the research community and the fabrication of three small-scale test facilities to investigate particle behavior and tune DEM flow properties for operation up to 800 °C. The findings have been shared with the research community via conference modeling workshops, deployment of the tools in DCS Computing Aspherix®, and open-source access to the developed radiative modeling tool. The development of next-generation CSP facilities and thermal energy storage systems based on ceramic particles requires providing access to computationally efficient and accurate modeling tools. Particles will experience a wide range of environments (20-800 °C) and handling conditions (dilute curtains or dense packing), requiring specially designed and optimized equipment. Optimizing solid particle physics models and establishing best-practices for particle modeling in CSP environments will assist researchers with designing optimized equipment, accelerating the deployment of more economically-competitive CSP facilities.

14 SOLAR ENERGY↗

CFD Analysis and Design Optimization Using Parallel Computers

A versatile and efficient multi-block method is presented for the simulation of both steady and unsteady flow, as well as aerodynamic design optimization of complete aircraft configurations. The compressible Euler and Reynolds Averaged Navier-Stokes (RANS) equations are discretized using a high resolution scheme on body-fitted structured meshes. An efficient multigrid implicit scheme is implemented for time-accurate flow calculations. Optimum aerodynamic shape design is achieved at very low cost using an adjoint formulation. The method is implemented on parallel computing systems using the MPI message passing interface standard to ensure portability. The results demonstrate that, by combining highly efficient algorithms with parallel computing, it is possible to perform detailed steady and unsteady analysis as well as automatic design for complex configurations using the present generation of parallel computers.

Martinelli, Luigi↗

High-Rate Digital Receiver Board

A high-rate digital receiver (HRDR) implemented as a peripheral component interface (PCI) board has been developed as a prototype of compact, general-purpose, inexpensive, potentially mass-producible data-acquisition interfaces between telemetry systems and personal computers. The installation of this board in a personal computer together with an analog preprocessor enables the computer to function as a versatile, highrate telemetry-data-acquisition and demodulator system. The prototype HRDR PCI board can handle data at rates as high as 600 megabits per second, in a variety of telemetry formats, transmitted by diverse phase-modulation schemes that include binary phase-shift keying and various forms of quadrature phaseshift keying. Costing less than $25,000 (as of year 2003), the prototype HRDR PCI board supplants multiple racks of older equipment that, when new, cost over $500,000. Just as the development of standard network-interface chips has contributed to the proliferation of networked computers, it is anticipated that the development of standard chips based on the HRDR could contribute to reductions in size and cost and increases in performance of telemetry systems.

Ghuman, Parminder↗

Directional solidification with heat losses

The upward directional solidification of a dilute binary alloy in a tall, thin, two-dimensional slot is considered. Heat losses from the sidewalls produce curved isotherms, interface deformations, and melt convection. An asymptotic approach is used which relates the small heat loss to the thinness of the solidification cell, and solutions are obtained for the resulting melt convection, interface deflection, and the distribution of heat and solute. The model is compared to the numerical results of Chang and Brown (1983) which exclude the effects of solute buoyancy and thermodynamic equilibrium at the interface. The radial segregation at the interface (consistent with both interface shapes and temperature fields) is computed, and it is found that the radial segregation is independent of interfacial shapes; the radial segregation cannot be calculated from only a knowledge of the interface shape.

Brattkus, K.↗

Spacecraft Orbit Design and Analysis (SODA), version 1.0 user's guide

The Spacecraft Orbit Design and Analysis (SODA) computer program, Version 1.0 is described. SODA is a spaceflight mission planning system which consists of five program modules integrated around a common database and user interface. SODA runs on a VAX/VMS computer with an EVANS & SUTHERLAND PS300 graphics workstation. BOEING RIM-Version 7 relational database management system performs transparent database services. In the current version three program modules produce an interactive three dimensional (3D) animation of one or more satellites in planetary orbit. Satellite visibility and sensor coverage capabilities are also provided. One module produces an interactive 3D animation of the solar system. Another module calculates cumulative satellite sensor coverage and revisit time for one or more satellites. Currently Earth, Moon, and Mars systems are supported for all modules except the solar system module.

Stallcup, Scott S.↗

Spacecraft Orbit Design and Analysis (SODA). Version 2.0: User's guide

The Spacecraft Orbit Design and Analysis (SODA) computer program, Version 2.0, is discussed. SODA is a spaceflight mission planning system that consists of six program modules integrated around a common database and user interface. SODA runs on a VAX/VMS computer with an Evans and Sutherland PS300 graphics workstation. In the current version, three program modules produce an interactive three dimensional animation of one or more satellites in planetary orbit. Satellite visibility and sensor coverage capabilities are also provided. Circular and rectangular, off nadir, fixed and scanning sensors are supported. One module produces an interactive three dimensional animation of the solar system. Another module calculates cumulative satellite sensor coverage and revisit time for one or more satellites. Currently, Earth, Moon, and Mars systems are supported for all modules except the solar system module.

Stallcup, Scott S.↗