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NASA NTRS2016

Parallel Grand Canonical Monte Carlo (ParaGrandMC) Simulation Code

This report provides an overview of the Parallel Grand Canonical Monte Carlo (ParaGrandMC) simulation code. This is a highly scalable parallel FORTRAN code for simulating the thermodynamic evolution of metal alloy systems at the atomic level, and predicting the thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces.

Vesselin I Yamakov↗
NASA NTRS2022

Parallel Grand-Canonical Monte Carlo (ParaGrandMC) User’s Manual Version 2.0

This manual describes the commands and command line options for the Parallel Grand Canonical Monte Carlo version 2.0 (ParaGrandMC.2.0) simulation code. This is a highly scalable parallel FORTRAN 2003 code for simulating the thermodynamic evolution of materials at the atomic level, and predicting their thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is specifically designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces. In addition to performing Monte Carlo (MC) simulations, the code can also perform Molecular Dynamics (MD) and Langevin Dynamics (LD) simulations, which can be combined and interchanged with MC for faster and more efficient system evolution. A detailed description of the MC part of the code is provided in the NASA ParaGrandMC report: NASA/CR–2016-219202; http://www.sti.nasa.gov.

High performance computing↗
NASA NTRS1981

Effect of electronic structure of the diamond surface on the strength of the diamond-metal interface

A diamond surface undergoes a transformation in its electronic structure by a vacuum anneal at approximately 900 C. The polished surface has no electronic states in the band gap, whereas the annealed surface has both occupied and unoccupied states in the and gap and exhibits some electrical conductivity. The effect of this transformation on the strength of the diamond metal interface was investigated by measuring the static friction force of an atomically clean meta sphere on a diamond flat in ultrahigh vacuum. It was found that low friction (weak bonding) is associated with the diamond surface devoid of gap states whereas high friction (strong bonding) is associated with the diamond surface with gap states. Exposure of the annealed surface to excited hydrogen also leads to weak bonding. The interfacial bond is discussed in terms of interaction of the metal conduction band electrons with the band gap states on the diamond surface. Effects of surface electrical conductivity on the interfacial bond are also be considered.

Pepper, S. V.↗
NASA NTRS2003

Reliable Transport over SpaceWire for James Webb Space Telescope (JWST) Focal Plane Electronics (FPE) Network

NASA's James Webb Space Telescope (JWST) faces difficult technical and budgetary challenges to overcome before it is scheduled launch in 2010. The Integrated Science Instrument Module (ISIM), shares these challenges. The major challenge addressed in this paper is the data network used to collect, process, compresses and store Infrared data. A total of 114 Mbps of raw information must be collected from 19 sources and delivered to the two redundant data processing units across a twenty meter deployed thermally restricted interface. Further data must be transferred to the solid-state recorder and the spacecraft. The JWST detectors are kept at cryogenic temperatures to obtain the sensitivity necessary to measure faint energy sources. The Focal Plane Electronics (FPE) that sample the detector, generate packets from the samples, and transmit these packets to the processing electronics must dissipate little power in order to help keep the detectors at these cold temperatures. Separating the low powered front-end electronics from the higher-powered processing electronics, and using a simple high-speed protocol to transmit the detector data minimize the power dissipation near the detectors. Low Voltage Differential Signaling (LVDS) drivers were considered an obvious choice for physical layer because of their high speed and low power. The mechanical restriction on the number cables across the thermal interface force the Image packets to be concentrated upon two high-speed links. These links connect the many image packet sources, Focal Plane Electronics (FPE), located near the cryogenic detectors to the processing electronics on the spacecraft structure. From 12 to 10,000 seconds of raw data are processed to make up an image, various algorithms integrate the pixel data Loss of commands to configure the detectors as well as the loss of science data itself may cause inefficiency in the use of the telescope that are unacceptable given the high cost of the observatory. This combination of requirements necessitates a redundant, fault tolerant, high- speed, low mass, low power network with a low Bit error Rate(1E-9- 1E-12). The ISIM systems team performed many studies of the various network architectures that meeting these requirements. The architecture selected uses the Spacewire protocol, with the addition of a new transport and network layer added to implement end-to-end reliable transport. The network and reliable transport mechanism must be implemented in hardware because of the high average information rate and the restriction on the ability of the detectors to buffer data due to power and size restrictions. This network and transport mechanism was designed to be compatible with existing Spacewire links and routers so that existing equipment and designs may be leveraged upon. The transport layer specification is being coordinated with European Space Agency (ESA), Spacewire Working Group and the Consultative Committee for Space Data System (CCSDS) PlK Standard Onboard Interface (SOIF) panel, with the intent of developing a standard for reliable transport for Spacewire. Changes to the protocol presented are likely since negotiations are ongoing with these groups. A block of RTL VHDL that implements a multi-port Spacewire router with an external user interface will be developed and integrated with an existing Spacewire Link design. The external user interface will be the local interface that sources and sinks packets onto and off of the network (Figure 3). The external user interface implements the network and transport layer and handles acknowledgements and re-tries of packets for reliable transport over the network. Because the design is written in RTL, it may be ported to any technology but will initially be targeted to the new Actel Accelerator series (AX) part. Each link will run at 160 Mbps and the power will be about 0.165 Watt per link worst case in the Actel AX.

Rakow, Glenn↗
NASA NTRS2010

High-Speed Ring Bus

The high-speed ring bus at the Jet Propulsion Laboratory (JPL) allows for future growth trends in spacecraft seen with future scientific missions. This innovation constitutes an enhancement of the 1393 bus as documented in the Institute of Electrical and Electronics Engineers (IEEE) 1393-1999 standard for a spaceborne fiber-optic data bus. It allows for high-bandwidth and time synchronization of all nodes on the ring. The JPL ring bus allows for interconnection of active units with autonomous operation and increased fault handling at high bandwidths. It minimizes the flight software interface with an intelligent physical layer design that has few states to manage as well as simplified testability. The design will soon be documented in the AS-1393 standard (Serial Hi-Rel Ring Network for Aerospace Applications). The framework is designed for "Class A" spacecraft operation and provides redundant data paths. It is based on "fault containment regions" and "redundant functional regions (RFR)" and has a method for allocating cables that completely supports the redundancy in spacecraft design, allowing for a complete RFR to fail. This design reduces the mass of the bus by incorporating both the Control Unit and the Data Unit in the same hardware. The standard uses ATM (asynchronous transfer mode) packets, standardized by ITU-T, ANSI, ETSI, and the ATM Forum. The IEEE-1393 standard uses the UNI form of the packet and provides no protection for the data portion of the cell. The JPL design adds optional formatting to this data portion. This design extends fault protection beyond that of the interconnect. This includes adding protection to the data portion that is contained within the Bus Interface Units (BIUs) and by adding to the signal interface between the Data Host and the JPL 1393 Ring Bus. Data transfer on the ring bus does not involve a master or initiator. Following bus protocol, any BIU may transmit data on the ring whenever it has data received from its host. There is no centralized arbitration or bus granting. The JPL design provides for autonomous synchronization of the nodes on the ring bus. An address-synchronous latency adjust buffer (LAB) has been designed that cannot get out of synchronization and needs no external input. Also, a priority-driven cable selection behavior has been programmed into each unit on the ring bus. This makes the bus able to connect itself up, according to a maximum redundancy priority system, without the need for computer intervention at startup. Switching around a failed or switched-off unit is also autonomous. The JPL bus provides a map of all the active units for the host computer to read and use for fault management. With regard to timing, this enhanced bus recognizes coordinated timing on a spacecraft as critical and addresses this with a single source of absolute and relative time, which is broadcast to all units on the bus with synchronization maintained to the tens of nanoseconds. Each BIU consists of up to five programmable triggers, which may be programmed for synchronization of events within the spacecraft of instrument. All JPL-formatted data transmitted on the ring bus are automatically time-stamped.

Wysocky, Terry↗
NASA NTRS2000

Freely Suspended Smectic Filaments and the Structure of the B7 Phase of MHOBOW

Our recent discovery of the spontaneous formation of chiral domains in fluid smectic phases of achiral bow-shaped molecules opens up a wide variety of possibilities for new liquid crystal phases and phenomena. The basic, spontaneously chiral layer structure of the highest temperature fluid smectic phases, the B2 and B7, are shown. One of the most intriguing aspects of this structure is the plethora of possible phases coming from different stacking sequences of the polar ordering and tilt directions. The four possibilities of next-nearest neighbor alternation are shown. In the original material studied, NOBOW, the ground states found are antiferroelectric, either the racemic SmC(sub S)P(sub A) or the chiral SmC(sub A)P(sub A). We are currently studying MHOBOW, synthesized by D. Walba which, by virtue of its methyl hexyloxy tail has a tendency to form anticlinic layer interfaces, in the hope of finding a phase with a ferroelectric ground state, either SmC(sub A)P(sub S) or SmC(sub S)P(sub A), which can be obtained in NOBOW only by applying a field. Preliminary observations of MHO-BOW have made its study, from the point of view of understanding novel LC structures, extremely high priority. The following truly remarkable characteristics have been revealed: (i) The smectic phase grows out of the isotropic in the form of helical ribbons. The resulting planar aligned textures of focal conics with layers normal to glass plates exhibit bizarre modulations, including stripes and checker-boards. These have also been seen in other materials suggesting that this is a new phase (tentatively called B7), which is a fluid smectic with some kind of in-layer structure. (ii) It is virtually impossible to make freely suspended films of MHOBOW. Rather it makes the freely suspended filaments which preliminary x-ray scattering experiments reveal to have the nested cylinder layer structure indicated; (iii) The powder x-ray diffraction exhibits four resolution-limited smectic layering peaks, very close in layer spacing, which vary continuously with T. This is further evidence for a more complex three dimensional structure than NOBOW, which has a typical single layering reflection. (iv) The x-ray structure factor of the layering peak of the filaments is extraordinarily complex and rich. Varying in qL (the scattering vector component along the filament axis) from a double slit-like pattern to modulated layer-like patterns, as qH (the scattering vector component normal to the filament axis) is varied over the range where the four powder peaks are located. These results suggest some kind of mosaic structure, perhaps with different layer spacings corresponding to the different stacking sequences. Recent x-ray diffraction experiments show that the peaks are modulated in intensity upon translation along a filament, in domains of several hundred microns dimension. These preliminary experiments suggest that the B7 is a fluid smectic with extremely unusual and fascinating structures. Of all of the many hundreds of fluid smectic materials we have attempted to study in the freely suspended film geometry over the years, only a few have failed to form films, and none showed any great tendency to form filaments, although this clearly should be a possible freely suspended smectic LC morphology. On several occasions in the past we have intentionally tried to make filaments from a variety of smectics without success. Thus the smectic filament formation property makes the B7 phase unique. It seems quite likely that the stability of filaments is related to the in-plane structure. The filaments exhibit other interesting structural and optical features. They are birefringent with a local optic axis which is oblique and which can vary continuously along filament and which can be manipulated with an electric field applied normal to the fiber, as if the field were causing a rotation of the optic axis about the fiber axis. Rapid displacement of the ends of the fiber toward one another causes a macroscopic helixing at low T and causes thick regions to transiently appear at high T, a 1D analog of island formation on a rapidly compressed film.

Clark, N.↗
NASA NTRS2008

Visualization Component of Vehicle Health Decision Support System

The visualization front-end of a Decision Support System (DSS) also includes an analysis engine linked to vehicle telemetry, and a database of learned models for known behaviors. Because the display is graphical rather than text-based, the summarization it provides has a greater information density on one screen for evaluation by a flight controller.This tool provides a system-level visualization of the state of a vehicle, and drill-down capability for more details and interfaces to separate analysis algorithms and sensor data streams. The system-level view is a 3D rendering of the vehicle, with sensors represented as icons, tied to appropriate positions within the vehicle body and colored to indicate sensor state (e.g., normal, warning, anomalous state, etc.). The sensor data is received via an Information Sharing Protocol (ISP) client that connects to an external server for real-time telemetry. Users can interactively pan, zoom, and rotate this 3D view, as well as select sensors for a detail plot of the associated time series data. Subsets of the plotted data can be selected and sent to an external analysis engine to either search for a similar time series in an historical database, or to detect anomalous events. The system overview and plotting capabilities are completely general in that they can be applied to any vehicle instrumented with a collection of sensors. This visualization component can interface with the ISP for data streams used by NASA s Mission Control Center at Johnson Space Center. In addition, it can connect to, and display results from, separate analysis engine components that identify anomalies or that search for past instances of similar behavior. This software supports NASA's Software, Intelligent Systems, and Modeling element in the Exploration Systems Research and Technology Program by augmenting the capability of human flight controllers to make correct decisions, thus increasing safety and reliability. It was designed specifically as a tool for NASA's flight controllers to monitor the International Space Station and a future Crew Exploration Vehicle.

Jacob, Joseph↗
NASA NTRS2014

A Self-Stabilizing Hybrid-Fault Tolerant Synchronization Protocol

In this report we present a strategy for solving the Byzantine general problem for self-stabilizing a fully connected network from an arbitrary state and in the presence of any number of faults with various severities including any number of arbitrary (Byzantine) faulty nodes. Our solution applies to realizable systems, while allowing for differences in the network elements, provided that the number of arbitrary faults is not more than a third of the network size. The only constraint on the behavior of a node is that the interactions with other nodes are restricted to defined links and interfaces. Our solution does not rely on assumptions about the initial state of the system and no central clock nor centrally generated signal, pulse, or message is used. Nodes are anonymous, i.e., they do not have unique identities. We also present a mechanical verification of a proposed protocol. A bounded model of the protocol is verified using the Symbolic Model Verifier (SMV). The model checking effort is focused on verifying correctness of the bounded model of the protocol as well as confirming claims of determinism and linear convergence with respect to the self-stabilization period. We believe that our proposed solution solves the general case of the clock synchronization problem.

Malekpour, Mahyar R.↗
NASA NTRS1975

An experimental investigation of compressor stall using an on-line distortion indicator and signal conditioner

The relation of the steady-state and dynamic distortions and the stall margin of a J85-13 turbojet engine was investigated. A distortion indicator capable of computing two distortion indices was used. A special purpose signal conditioner was also used as an interface between transducer signals and distortion indicator. A good correlation of steady-state distortion and stall margin was established. The prediction of stall by using the indices as instantaneous distortion indicators was not successful. A sensitivity factor that related the loss of stall margin to the turbulence level was found.

Costakis, W. G.↗
NASA NTRS1997

Steady-State Cycle Deck Launcher Developed for Numerical Propulsion System Simulation

One of the objectives of NASA's High Performance Computing and Communications Program's (HPCCP) Numerical Propulsion System Simulation (NPSS) is to reduce the time and cost of generating aerothermal numerical representations of engines, called customer decks. These customer decks, which are delivered to airframe companies by various U.S. engine companies, numerically characterize an engine's performance as defined by the particular U.S. airframe manufacturer. Until recently, all numerical models were provided with a Fortran-compatible interface in compliance with the Society of Automotive Engineers (SAE) document AS681F, and data communication was performed via a standard, labeled common structure in compliance with AS681F. Recently, the SAE committee began to develop a new standard: AS681G. AS681G addresses multiple language requirements for customer decks along with alternative data communication techniques. Along with the SAE committee, the NPSS Steady-State Cycle Deck project team developed a standard Application Program Interface (API) supported by a graphical user interface. This work will result in Aerospace Recommended Practice 4868 (ARP4868). The Steady-State Cycle Deck work was validated against the Energy Efficient Engine customer deck, which is publicly available. The Energy Efficient Engine wrapper was used not only to validate ARP4868 but also to demonstrate how to wrap an existing customer deck. The graphical user interface for the Steady-State Cycle Deck facilitates the use of the new standard and makes it easier to design and analyze a customer deck. This software was developed following I. Jacobson's Object-Oriented Design methodology and is implemented in C++. The AS681G standard will establish a common generic interface for U.S. engine companies and airframe manufacturers. This will lead to more accurate cycle models, quicker model generation, and faster validation leading to specifications. The standard will facilitate cooperative work between industry and NASA. The NPSS Steady-State Cycle Deck team released a batch version of the Steady-State Cycle Deck in March 1996. Version 1.1 was released in June 1996. During fiscal 1997, NPSS accepted enhancements and modifications to the Steady-State Cycle Deck launcher. Consistent with NPSS' commercialization plan, these modifications will be done by a third party that can provide long-term software support.

VanDrei, Donald E.↗
NASA NTRS1999

In-Situ Observations of Interaction Between Particulate Agglomerates and an Advancing Planar Solid/Liquid Interface: Microgravity Experiments

Results are reported of directional solidification experiments on particulate agglomerate pushing and engulfment by a planar solid/liquid (s/1) interface. These experiments were conducted on the Space Shuttle Columbia during the United States Microgravity Payload 4 (USMP-4) Mission. It was found that the pushing to engulfment transition velocity, V(sub ct),, for agglomerates depends not only on their effective size but also their orientation with respect to the s/l interface. The analytical model for predicting V(sub cr) of a single particle was subsequently enhanced to predict V(sub cr) of the agglomerates by considering their shape factor and orientation.

Sen, S.↗
NASA NTRS2002

Investigation of Space Based Solid State Coherent Lidar

This report describes the work performed over the period of October 1, 1997 through March 31, 2001. Under this contract, UAH/CAO participated in defining and designing the SPAce Readiness Coherent Lidar Experiment (SPARCLE) mission, and developed the instrument's optical subsystem. This work was performed in collaborative fashion with NASA/MSFC engineers at both UAH/CAO and NASA/MSFC facilities. Earlier work by the UAH/CAO had produced a preliminary top-level system design for the Shuttle lidar instrument meeting the proposed mission performance requirements and the Space Shuttle Hitchhiker canister volume constraints. The UAH/CAO system design efforts had concentrated on the optical and mechanical designs of the instrument. The instrument electronics were also addressed, and the major electronic components and their interfaces defined. The instrument design concept was mainly based on the state of the transmitter and local oscillator laser development at NASA Langley Research Center and Jet Propulsion Laboratory, and utilized several lidar-related technologies that were either developed or evaluated by the NASA/MSFC and UAH/CAO scientists. UAH/CAO has developed a comprehensive coherent lidar numerical model capable of analyzing the performance of different instrument and mission concepts. This model uses the instrument configuration, atmospheric conditions and current velocity estimation theory to provide prediction of instrument performance during different phases of operation. This model can also optimize the design parameters of the instrument.

Amzajerdian, Farzin↗
NASA NTRS1999

In Situ Observations of Interaction Between Particulate Agglomerates and an Advancing Planar Solid/Liquid Interface: Microgravity Experiments

Results are reported of directional solidification experiments on particulate agglomerate pushing and engulfment by a planar solid/liquid (s/l) interface. These experiments were conducted on the Space Shuttle Columbia during the United States Microgravity Payload 4 (USMP-4) Mission. It was found that the pushing to engulfment transition velocity, V(sub cr) for agglomerates depends not only on their effective size but also their orientation with respect to the s,1 interface. The analytical model for predicting V(sub cr) of a single particle was subsequently enhanced to predict V(sub cr) of the agglomerates by considering their shape factor and orientation.

Sen, S.↗
NASA NTRS1994

Convection in the Physical Vapor Transport Process: Thermal - 1

The effects of convection on diffusive-convective physical vapor transport process are examined computationally. We analyze conditions ranging from typical laboratory conditions to conditions achievable only in a low gravity environment. This corresponds to thermal Rayleigh numbers Ra(sub tau) ranging from 1.80 x 10 to 1.92 x 10(exp 6). Our results indicate that the effect of the sublimation and condensation fluxes at the boundaries is to increase the threshold of instability. For typical ground based conditions, time dependent oscillatory convection can occur. This results in unsteady transport, and non-uniform temperature and concentration gradients at the crystal interface. Spectral analysis of the flow field shows parametric regions exhibiting both an oscillatory approach to steady state and a chaotic transient to a periodic state. Low gravity conditions stabilize the flow field. Convective effects are effectively reduced, thus resulting in uniform temperature and concentration gradients at the interface, a desirable condition for crystal growth.

Duval, Walter M. B.↗
NASA NTRS1994

Convection in the Physical Vapor Transport Process-I: Thermal

The effects of convection on diffusive-convective physical vapor transport process are examined computationally. We analyze conditions ranging from typical laboratory conditions to conditions achievable only in a low gravity environment. This corresponds to thermal Rayleigh numbers Ra, ranging from 1.80 x 10 to 1.92 x 10(exp 6). Our results indicate that the effect of the sublimation and condensation fluxes at the boundaries is to increase the threshold of instability. For typical ground based conditions, time dependent oscillatory convection can occur. This results in unsteady transport, and non- uniform temperature and concentration gradients at the crystal interface. Spectral analysis of the flow field shows parametric regions exhibiting both an oscillatory approach to steady state and a chaotic transient to a periodic state. Low gravity conditions stabilize the flow field. Convective effects are effectively reduced, thus resulting in uniform temperature and concentration gradients at the interface, a desirable condition for crystal growth.

Duval, Walter M. B.↗
NASA NTRS1995

Performance Comparison of a Matrix Solver on a Heterogeneous Network Using Two Implementations of MPI: MPICH and LAM

Two of the current and most popular implementations of the Message-Passing Standard, Message Passing Interface (MPI), were contrasted: MPICH by Argonne National Laboratory, and LAM by the Ohio Supercomputer Center at Ohio State University. A parallel skyline matrix solver was adapted to be run in a heterogeneous environment using MPI. The Message-Passing Interface Forum was held in May 1994 which lead to a specification of library functions that implement the message-passing model of parallel communication. LAM, which creates it's own environment, is more robust in a highly heterogeneous network. MPICH uses the environment native to the machine architecture. While neither of these free-ware implementations provides the performance of native message-passing or vendor's implementations, MPICH begins to approach that performance on the SP-2. The machines used in this study were: IBM RS6000, 3 Sun4, SGI, and the IBM SP-2. Each machine is unique and a few machines required specific modifications during the installation. When installed correctly, both implementations worked well with only minor problems.

Phillips, Jennifer K.↗
NASA NTRS1971

A study of nitride devices for computer memory applications

Metal-nitride-oxide-silicon /MNOS/ capacitors act like metal-nitride-silicon /MNS/ capacitors with extra interface where sheet of charge can be stored in slow states. Flatband voltage shifts over a wide range by adjusting store charge density.

Raburn, W. D.↗