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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 865 records · Page 48

Towards replacing physical testing of granular materials with a Topology-based Model

In the study of packed granular materials, the performance of a sample (e.g., the detonation of a high-energy explosive) often correlates to measurements of a fluid flowing through it. The “effective surface area,” the surface area accessible to the airflow, is typically measured using a permeametry apparatus that relates the flow conductance to the permeable surface area via the Carman-Kozeny equation. This equation allows calculating the flow rate of a fluid flowing through the granules packed in the sample for a given pressure drop. However, Carman-Kozeny makes inherent assumptions about tunnel shapes and flow paths that may not accurately hold in situations where the particles possess a wide distribution in shapes, sizes, and aspect ratios, as is true with many powdered systems of technological and commercial interest. To address this challenge, we replicate these measurements virtually on micro-CT images of the powdered material, introducing a new Pore Network Model based on the skeleton of the Morse-Smale complex. Pores are identified as basins of the complex, their incidence encodes adjacency, and the conductivity of the capillary between them is computed from the cross-section at their interface. We build and solve a resistive network to compute an approximate laminar fluid flow through the pore structure. Here, we provide two means of estimating flow-permeable surface area: (i) by direct computation of conductivity, and (ii) by identifying dead-ends in the flow coupled with isosurface extraction and the application of the Carman-Kozeny equation, with the aim of establishing consistency over a range of particle shapes, sizes, porosity levels, and void distribution patterns.

36 MATERIALS SCIENCE↗

CLIPS application user interface for the PC

The majority of applications that utilize expert system development programs for their knowledge representation and inferencing capability require some form of interface with the end user. This interface is more than likely an interaction through the computer screen. When building an application the user interface can prove to be the most difficult and time consuming aspect to program. Commercial products currently exist which address this issue. To keep pace C Language Integrated Production System (CLIPS) will need to find a solution for their lack of an easy to use Application User Interface (AUI). This paper represents a survey of the DoD CLIPS' user community and provides the backbone of a possible solution.

Jenkins, Jim↗

Potential of the Julia Programming Language for High Energy Physics Computing

Research in high energy physics (HEP) requires huge amounts of computing and storage, putting strong constraints on the code speed and resource usage. To meet these requirements, a compiled high-performance language is typically used; while for physicists, who focus on the application when developing the code, better research productivity pleads for a high-level programming language. A popular approach consists of combining Python, used for the high-level interface, and C++, used for the computing intensive part of the code. A more convenient and efficient approach would be to use a language that provides both high-level programming and high-performance. The Julia programming language, developed at MIT especially to allow the use of a single language in research activities, has followed this path. In this paper the applicability of using the Julia language for HEP research is explored, covering the different aspects that are important for HEP code development: runtime performance, handling of large projects, interface with legacy code, distributed computing, training, and ease of programming. The study shows that the HEP community would benefit from a large scale adoption of this programming language. The HEP-specific foundation libraries that would need to be consolidated are identified.

97 MATHEMATICS AND COMPUTING↗

Program For Systematic Documentation Of Tasks

Task Analysis Report Generation Tool (TARGET) computer program is graphical-interface software tool used to capture procedural knowledge and translate knowledge into hierarchical report. Designed to help programmer document expert's task, enabling programmer to build expert-system computer program that helps others perform task. Flexibility key element of design and of knowledge-acquisition session. Easy to use and tailored to accommodate users ranging from novice to experienced builder of expert systems. Written in C language.

Ortiz, Christopher John↗

Computer control of a far infrared interferometer

A simple interface has been designed for the automatic control and data collection from a Grubb Parsons Mark III cube interferometer. A computer is used to automatically step the movable mirror on the interferometer. Data may be directly input into the computer for immediate transformation or stored for later analysis via a fast Fourier transformation. The interface is based on a commercial analog-to-digital converter having a parallel-to-serial data converter. The device can also display ASCII characters sent from the computer in parallel binary code. The system is applicable to recording interferograms having long time durations and to measuring multiple interferograms for statistical averaging.

Breecher, J.↗

Flexible Revision Of Data-Processing Communications

Distributed Objects Protocol Layer (DOPL) software system implements protocol for communications among software objects programmed in C++ computer language. DOPL is application-program interface (API). Enables communication of data without regard for which specific computer(s) and operating system(s) is (are) in use. No extension of the C++ language necessary for use of DOPL.

Burleigh, Scott C.↗

Verification of RESRAD-OFFSITE Code (V.4)

This report documents the verification of RESRAD-OFFSITE Version 4.0 and describes, where necessary, the verification of the following: • The data comprising the standard dose and risk coefficient libraries in the RESRAD database files Master_dcf_ICRP07.mdb and Master_dcf_2k.mdb. • The extraction and transfer of the data from the selected database file to the computational code by the RESRAD-OFFSITE 4.0 interface, ResOWin.exe. • The different processes that are modeled by the main computational code in RESRAD OFFSITE 4.0, ResOMain.exe. • The data displayed in the graphical and text reports. Many verifications were performed as part of the quality assurance quality control program associated with the development and release of RESRAD-OFFSITE 4.0, namely: • developer testing, • internal independent testing, and • release testing. Some were also performed in response to questions from users regarding the performance of the code. The main text of the report focuses on summarizing a subset of those tests, both independent and developer tests that verified the computations performed by the code. The verifications included in this report served as the basis for the development of the release tests of the computational executables and provided the quantitative results to be compared with the code output. The input and output interfaces and the data transfers between the various executables of the code were tested while performing the verification testing. They were tested intentionally during release testing. This report also provides some basic information to help in understanding the activities that were verified. The report: • outlines the components of RESRAD-OFFSITE 4.0 and the interconnections between these components, • outlines the processes modeled by the computational code, • provides summary figures and tables to offer confirmation of the verification of the computational components of the code, • reproduces the verifiers’ reports, if available, in individual appendices, • refers to the previous verification report (Yu et al. 2011) for more details about some of the verifications, and • reproduces the test cases and the testers’ reports from the release testing in individual appendices, when possible.

54 ENVIRONMENTAL SCIENCES↗

CAPRI: A Geometric Foundation for Computational Analysis and Design

CAPRI is a software building tool-kit that refers to two ideas; (1) A simplified, object-oriented, hierarchical view of a solid part integrating both geometry and topology definitions, and (2) programming access to this part or assembly and any attached data. A complete definition of the geometry and application programming interface can be found in the document CAPRI: Computational Analysis PRogramming Interface appended to this report. In summary the interface is subdivided into the following functional components: 1. Utility routines -- These routines include the initialization of CAPRI, loading CAD parts and querying the operational status as well as closing the system down. 2. Geometry data-base queries -- This group of functions allow all top level applications to figure out and get detailed information on any geometric component in the Volume definition. 3. Point queries -- These calls allow grid generators, or solvers doing node adaptation, to snap points directly onto geometric entities. 4. Calculated or geometrically derived queries -- These entry points calculate data from the geometry to aid in grid generation. 5. Boundary data routines -- This part of CAPRI allows general data to be attached to Boundaries so that the boundary conditions can be specified and stored within CAPRI s data-base. 6. Tag based routines -- This part of the API allows the specification of properties associated with either the Volume (material properties) or Boundary (surface properties) entities. 7. Geometry based interpolation routines -- This part of the API facilitates Multi-disciplinary coupling and allows zooming through Boundary Attachments. 8. Geometric creation and manipulation -- These calls facilitate constructing simple solid entities and perform the Boolean solid operations. Geometry constructed in this manner has the advantage that if the data is kept consistent with the CAD package, therefore a new design can be incorporated directly and is manufacturable. 9. Master Model access This addition to the API allows for the querying of the parameters and dimensions of the model. The feature tree is also exposed so it is easy to see where the parameters are applied. Calls exist to allow for the modification of the parameters and the suppression/unsuppression of nodes in the tree. Part regeneration is performed by a single API call and a new part becomes available within CAPRI (if the regeneration was successful). This is described in a separate document. Components 1-7 are considered the CAPRI base level reader.

Haimes, Robert↗

A breakthrough for experiencing and understanding simulated physics

The use of computer simulation in physics research is discussed, focusing on improvements to graphic workstations. Simulation capabilities and applications of enhanced visualization tools are outlined. The elements of an ideal computer simulation are presented and the potential for improving various simulation elements is examined. The interface between the human and the computer and simulation models are considered. Recommendations are made for changes in computer simulation practices and applications of simulation technology in education.

Watson, Val↗

Technologies for Visualization in Computational Aerosciences

State-of-the-art research in computational aerosciences produces' complex, time-dependent datasets. Simulations can also be multidisciplinary in nature, coupling two or more physical disciplines such as fluid dynamics, structural dynamics, thermodynamics, and acoustics. Many diverse technologies are necessary for visualizing computational aerosciences simulations. This paper describes these technologies and how they contribute to building effective tools for use by domain scientists. These technologies include data management, distributed environments, advanced user interfaces, rapid prototyping environments, parallel computation, and methods to visualize the scalar and vector fields associated with computational aerosciences datasets.

Miceli, Kristina D.↗

On the relationship between the multi-region relaxed variational principle and resistive inner-layer theory

We show that the variational energy principle of the multi-region relaxed magnetohydrodynamic (MRxMHD) model can be used to predict finite-pressure linear tearing instabilities. In this model, the plasma volume is sliced into sub-volumes separated by 'ideal interfaces', and in each volume the magnetic field relaxes to a Taylor state, where the pressure gradient $\nabla p = 0$. The MRxMHD model is implemented in the Stepped-Pressure Equilibrium Code (SPEC) so that the equilibrium solution in each region is computed while preserving the force balance across the interfaces. As SPEC computes the Hessian matrix (a discretized stability matrix), the stability of an MRxMHD equilibrium can also be computed with SPEC. In this article, using SPEC, we investigate the effect of local pressure gradients and the $\nabla p = 0$ in the vicinity of the resonant surface of a tearing mode. For low-beta plasma, we have been able to illustrate a relationship between the resistive singular-layer theory (Coppi et al 1966 Nucl. Fusion6 101; Glasser et al 1975 Phys. Fluids18 875–88) and the MRxMHD model. Within the singular layer, the volume-averaged magnetic helicity and the flux-averaged toroidal flux are shown to be the invariants for the linear tearing modes in SPEC simulations. Our technique to compute MRxMHD stability is first tested numerically in a cylindrical tokamak and its application in toroidal geometry is demonstrated. We demonstrate an agreement between the stability boundary obtained with SPEC simulation and the resistive inner-layer theories.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Performance Characteristics of the BlueField-2 SmartNIC

High-performance computing (HPC) researchers have long envisioned scenarios where application workflows could be improved through the use of programmable processing elements embedded in the network fabric. Recently, vendors have introduced programmable Smart Network Interface Cards (SmartNICs) that enable computations to be offloaded to the edge of the network. There is great interest in both the HPC and high-performance data analytics (HPDA) communities in understanding the roles these devices may play in the data paths of upcoming systems. This paper focuses on characterizing both the networking and computing aspects of NVIDIA’s new BlueField-2 SmartNIC when used in a 100Gb/s Ethernet environment. For the networking evaluation we conducted multiple transfer experiments between processors located at the host, the SmartNIC, and a remote host. These tests illuminate how much effort is required to saturate the network and help estimate the processing headroom available on the SmartNIC during transfers. For the computing evaluation we used the stress-ng benchmark to compare the BlueField-2 to other servers and place realistic bounds on the types of offload operations that are appropriate for the hardware. Our findings from this work indicate that while the BlueField-2 provides a flexible means of processing data at the network’s edge, great care must be taken to not overwhelm the hardware. While the host can easily saturate the network link, the SmartNIC’s embedded processors may not have enough computing resources to sustain more than half the expected bandwidth when using kernel-space packet processing. From a computational perspective, encryption operations, memory operations under contention, and on-card IPC operations on the SmartNIC perform significantly better than the general-purpose servers used for comparisons in our experiments. Therefore, applications that mainly focus on these operations may be good candidates for offloading to the SmartNIC.

97 MATHEMATICS AND COMPUTING↗

Network cache injection for coherent GPUs

Methods, devices, and systems for GPU cache injection. A GPU compute node includes a network interface controller (NIC) which includes NIC receiver circuitry which can receive data for processing on the GPU, NIC transmitter circuitry which can send the data to a main memory of the GPU compute node and which can send coherence information to a coherence directory of the GPU compute node based on the data. The GPU compute node also includes a GPU which includes GPU receiver circuitry which can receive the coherence information; GPU processing circuitry which can determine, based on the coherence information, whether the data satisfies a heuristic; and GPU loading circuitry which can load the data into a cache of the GPU from the main memory if on the data satisfies the heuristic.

LeBeane, Michael W.↗

Standard Spacecraft Interfaces and IP Network Architectures: Prototyping Activities at the GSFC

Advancements in fright semiconductor technology have opened the door for IP-based networking in spacecraft architectures. The GSFC believes the same signlJicant cost savings gained using MIL-STD-1553/1773 as a standard low rate interface for spacecraft busses cun be realized for highspeed network interfaces. To that end, GSFC is developing hardware and software to support a seamless, space mission IP network based on Ethernet and MIL-STD-1553. The Ethernet network shall connect all fright computers and communications systems using interface standards defined by the CCSDS Standard Onboard InterFace (SOIF) Panel. This paper shall discuss the prototyping effort underway at GSFC and expected results.

Schnurr, Richard↗

Interfacial water asymmetry at ideal electrochemical interfaces

Controlling electrochemical reactivity requires a detailed understanding of the charging behavior and thermodynamics of the electrochemical interface. Experiments can independently probe the overall charge response of the electrochemical double layer by capacitance measurements and the thermodynamics of the inner layer with potential of maximum entropy measurements. Relating these properties by computational modeling of the electrochemical interface has so far been challenging due to the low accuracy of classical molecular dynamics (MD) for capacitance and the limited time and length scales of ab initio MD. Here, we combine large ensembles of long-time-scale classical MD simulations with charge response from electronic density functional theory to predict the potential-dependent capacitance of a family of ideal aqueous electrochemical interfaces with different peak capacitances. We show that while the potential of maximum capacitance varies, this entire family exhibits an electrode charge of maximum capacitance (CMC) between -2.9 and -2.2 μC/cm 2 , regardless of the details in the electronic response. Simulated heating of the same interfaces reveals that the entropy peaks at a charge of maximum entropy (CME) of -5.1 ± 0.6 μC/cm 2 , in agreement with experimental findings for metallic electrodes. The CME and CMC both indicate asymmetric response of interfacial water that is stronger for negatively charged electrodes, while the difference between CME and CMC illustrates the richness in behavior of even the ideal electrochemical interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An approach to grid-to-rod fretting wear modeling using dynamic mortar contact

This article presents the development of a grid-to-rod fretting (GTRF) modeling methodology that utilizes dynamic mortar contact. Here, we leverage a recently developed computational framework for modeling thermomechanical contact in dynamic simulations from the nuclear fuel performance code Bison. Usage of mortar contact ensures a smooth distribution of normal and frictional contact forces, displacements, and velocities on the contact interface, thus facilitating an accurate computation of wear. The integration within an advanced nuclear fuel performance code enables analysis of complex interactions between the fuel, cladding, and spacer grid. Such interactions include swelling, creep, fuel fragmentation, burnup, plenum pressure, and fission gas release. Our methodology is demonstrated via the modeling of two spacer grid geometries and the influence of fuel-cladding mechanical contact on the generation of fretting wear.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The transition of GTDS to the Unix workstation environment

Future Flight Dynamics systems should take advantage of the possibilities provided by current and future generations of low-cost, high performance workstation computing environments with Graphical User Interface. The port of the existing mainframe Flight Dynamics systems to the workstation environment offers an economic approach for combining the tremendous engineering heritage that has been encapsulated in these systems with the advantages of the new computing environments. This paper will describe the successful transition of the Draper Laboratory R&D version of GTDS (Goddard Trajectory Determination System) from the IBM Mainframe to the Unix workstation environment. The approach will be a mix of historical timeline notes, descriptions of the technical problems overcome, and descriptions of associated SQA (software quality assurance) issues.

Carter, D.↗

Solvent effects determine the sign of the charges of maximum entropy and capacitance at silver electrodes

Fully harnessing electrochemical interfaces for reactions requires a detailed understanding of solvent effects in the electrochemical double layer. Predicting the significant impact of solvents on entropic and electronic properties of electrochemical interfaces has remained an open challenge of computational electrochemistry. Using molecular dynamics simulations of silver–water and silver–acetonitrile interfaces, we show that switching the solvent changes the signs for both the charge of maximum capacitance (CMC) and charge of maximum entropy (CME). Contrasting the capacitance and CME behavior of these two interfaces, we demonstrate that the preferred orientation of the solvent molecule and the corresponding charge density determine the sign of the CMC and CME and, hence, the qualitatively different charge asymmetry of the electrochemical interface.

Chemistry↗