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At least 145 records · Page 8

Tuning the Lifetimes of Photoinduced Deligation in a Metal–Organic Framework via Linker Functionalization

Recently photoinduced dynamic ligation in a metal–organic frameworks (MOFs) was reported, where a long-lived charge-transfer excited state (ca. 30 μs) featuring partial dissociation between the carboxylate linker and metal-based node was probed by time-resolved infrared (TRIR) spectroscopy. The study offers a new mechanistic perspective to evaluate the potential contribution from the excited state molecular configuration to the performance of MOF photocatalysts. In this work, by employing MIL-101(Fe) as the study platform, we have further explored the influence of intramolecular interactions on the stability of relevant excited states and demonstrated the effective tuning of their lifetimes through the incorporation of different functional groups into the system. The correlations between the varied excited state lifetimes and coordination configurations with specific functional groups (−NH 2 or −NO 2 ) was inferred from the analyses of infrared spectroscopic data and theoretical calculations, revealing the essential role of the intramolecular interactions (i.e., between the added functional groups and the carboxylate group) in the modulation of system energetics. Overall, the work presents a pathway to tune the excited state dynamics and expands the knowledge regarding the photoinduced dynamic ligation in carboxylate-based MOFs.

excited states↗

A mesoscopic link-transmission-model able to track individual vehicles

Macroscopic traffic flow is a common choice for large-scale traffic simulations. These models do not provide individual-specific metrics as outputs. However, this treatment is necessary in agent-based-models, as in, for example, assigning routes based on personal characteristics. Here, in this paper, we propose an extension of the link-transmission-model, an efficient and yet accurate discretization of the Lighthill-Whitham-Richards (LWR) model, which allow vehicles to be tracked individually while keeping the main features of the underlying model. The extension comprises modifying the link and node models to ensure that the flow between links is always at discrete levels. Therefore, every unit of flow is associated with one individual vehicle moving from its current to its next link. An upper bound of the discretization error is provided. We show that the proposed model resembles its continuous counterpart on lane drop, merge, and diverge cases. In addition, we apply the model into three different networks to validate its applicability in large networks. Finally, we also confirm the parameter transferability between continuous and discrete models and that both can well reproduce field data.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Architectural Methodology Report

The establishment of conventions between two communicating entities in the end systems is essential for communications. Examples of the kind of decisions that need to be made in establishing a protocol convention include the nature of the data representation, the for-mat and the speed of the date representation over the communications path, and the sequence of control messages (if any) which are sent. One of the main functions of a protocol is to establish a standard path between the communicating entities. This is necessary to create a virtual communications medium with certain desirable characteristics. In essence, it is the function of the protocol to transform the characteristics of the physical communications environment into a more useful virtual communications model. The final function of a protocol is to establish standard data elements for communications over the path; that is, the protocol serves to create a virtual data element for exchange. Other systems may be constructed in which the transferred element is a program or a job. Finally, there are special purpose applications in which the element to be transferred may be a complex structure such as all or part of a graphic display. NASA's Glenn Research Center (GRC) defines and develops advanced technology for high priority national needs in communications technologies for application to aeronautics and space. GRC tasked Computer Networks and Software Inc. (CNS) to describe the methodologies used in developing a protocol architecture for an in-space Internet node. The node would support NASA:s four mission areas: Earth Science; Space Science; Human Exploration and Development of Space (HEDS); Aerospace Technology. This report presents the methodology for developing the protocol architecture. The methodology addresses the architecture for a computer communications environment. It does not address an analog voice architecture.

Dhas, Chris↗

Concurrent hypercube system with improved message passing

A network of microprocessors, or nodes, are interconnected in an n-dimensional cube having bidirectional communication links along the edges of the n-dimensional cube. Each node's processor network includes an I/O subprocessor dedicated to controlling communication of message packets along a bidirectional communication link with each end thereof terminating at an I/O controlled transceiver. Transmit data lines are directly connected from a local FIFO through each node's communication link transceiver. Status and control signals from the neighboring nodes are delivered over supervisory lines to inform the local node that the neighbor node's FIFO is empty and the bidirectional link between the two nodes is idle for data communication. A clocking line between neighbors, clocks a message into an empty FIFO at a neighbor's node and vica versa. Either neighbor may acquire control over the bidirectional communication link at any time, and thus each node has circuitry for checking whether or not the communication link is busy or idle, and whether or not the receive FIFO is empty. Likewise, each node can empty its own FIFO and in turn deliver a status signal to a neighboring node indicating that the local FIFO is empty. The system includes features of automatic message rerouting, block message transfer and automatic parity checking and generation.

Peterson, John C.↗

Implementing Delay/Disruption Tolerant Networking for NASA’s Plankton, Aerosol, Clouds, ocean Ecosystem (PACE) Mission

NASA’s Plankton, Aerosol, Clouds, ocean Ecosystem (PACE) mission will be the first NASA science mission to use Delay/Disruption Tolerant Networking (DTN) for routine operations. The DTN Bundle Protocol (BP) is being integrated into the core Flight Software (cFS) for the transfer of house-keeping files. DTN nodes will also be integrated into the Near Space Network (NSN) ground stations and the PACE Mission Operations Center. This paper will describe the DTN implementations, the PACE DTN operations concept and how this mission is a significant step towards the Solar System Internet.

dtn↗

Ethernet for Space Flight Applications

NASA's Goddard Space Flight Center (GSFC) is adapting current data networking technologies to fly on future spaceflight missions. The benefits of using commercially based networking standards and protocols have been widely discussed and are expected to include reduction in overall mission cost, shortened integration and test (I&T) schedules, increased operations flexibility, and hardware and software upgradeability/scalability with developments ongoing in the commercial world. The networking effort is a comprehensive one encompassing missions ranging from small University Explorer (UNEX) class spacecraft to large observatories such as the Next Generation Space Telescope (NGST). Mission aspects such as flight hardware and software, ground station hardware and software, operations, RF communications, and security (physical and electronic) are all being addressed to ensure a complete end-to-end system solution. One of the current networking development efforts at GSFC is the SpaceLAN (Spacecraft Local Area Network) project, development of a space-qualifiable Ethernet network. To this end we have purchased an IEEE 802.3-compatible 10/100/1000 Media Access Control (MAC) layer Intellectual Property (IP) core and are designing a network node interface (NNI) and associated network components such as a switch. These systems will ultimately allow the replacement of the typical MIL-STD-1553/1773 and custom interfaces that inhabit most spacecraft. In this paper we will describe our current Ethernet NNI development along with a novel new space qualified physical layer that will be used in place of the standard interfaces. We will outline our plans for development of space qualified network components that will allow future spacecraft to operate in significant radiation environments while using a single onboard network for reliable commanding and data transfer. There will be a brief discussion of some issues surrounding system implications of a flight Ethernet. Finally, we will show an onboard network architecture for a proposed new mission using Ethernet for science data transport.

Webb, Evan↗

Progressive Tree-Based Compression of Large-Scale Particle Data

Scientific simulations and observations using particles have been creating large datasets that require effective and efficient data reduction to store, transfer, and analyze. However, current approaches either compress only small data well while being inefficient for large data, or handle large data but with insufficient compression. Toward effective and scalable compression/decompression of particle positions, we introduce new kinds of particle hierarchies and corresponding traversal orders that quickly reduce reconstruction error while being fast and low in memory footprint. Our solution to compression of large-scale particle data is a flexible block-based hierarchy that supports progressive, random-access, and error-driven decoding, where error estimation heuristics can be supplied by the user. For low-level node encoding, we introduce new schemes that effectively compress both uniform and densely structured particle distributions. Our proposed methods thus target all three phases of a tree-based particle compression pipeline, namely tree construction, tree traversal, and node encoding. In conclusion, the improved efficacy and flexibility of these methods over existing compressors are demonstrated through extensive experimentation, using a wide range of scientific particle datasets.

97 MATHEMATICS AND COMPUTING↗

Prediction of the effects of thermal stratification on pressure and temperature response of the Apollo supercritical oxygen tank

A semiempirical design-oriented model has been developed for the prediction of the effects of thermal stratification on tank pressure and heater temperature response for the Apollo supercritical oxygen tank. The heat transfer formulation describes laminar free convection at low-g and takes into account the radiation and conduction processes occurring in the tank. The nonequilibrium thermodynamic behavior of the system due to localized heating of the stored fluid is represented by the characteristics of a discrete number of fluid regions and thermal nodes. Solutions to the time dependent variable fluid property problem are obtained through the use of a reference temperature procedure. A criterion which establishes the reference temperature as a function of the fluid density ratio is derived. The analytical results are compared with the flight data.

Chen, I. M.↗

The Goddard Snow Radiance Assimilation Project: An Integrated Snow Radiance and Snow Physics Modeling Framework for Snow/cold Land Surface Modeling

Microwave-based retrievals of snow parameters from satellite observations have a long heritage and have so far been generated primarily by regression-based empirical "inversion" methods based on snapshots in time. Direct assimilation of microwave radiance into physical land surface models can be used to avoid errors associated with such retrieval/inversion methods, instead utilizing more straightforward forward models and temporal information. This approach has been used for years for atmospheric parameters by the operational weather forecasting community with great success. Recent developments in forward radiative transfer modeling, physical land surface modeling, and land data assimilation are converging to allow the assembly of an integrated framework for snow/cold lands modeling and radiance assimilation. The objective of the Goddard snow radiance assimilation project is to develop such a framework and explore its capabilities. The key elements of this framework include: a forward radiative transfer model (FRTM) for snow, a snowpack physical model, a land surface water/energy cycle model, and a data assimilation scheme. In fact, multiple models are available for each element enabling optimization to match the needs of a particular study. Together these form a modular and flexible framework for self-consistent, physically-based remote sensing and water/energy cycle studies. In this paper we will describe the elements and the integration plan. All modules will operate within the framework of the Land Information System (LIS), a land surface modeling framework with data assimilation capabilities running on a parallel-node computing cluster. Capabilities for assimilation of snow retrieval products are already under development for LIS. We will describe plans to add radiance-based assimilation capabilities. Plans for validation activities using field measurements will also be discussed.

Kim, E.↗

Seismology in the Cloud: A New Streaming Workflow

Data-intensive research in seismology is experiencing a recent boom, driven in part by large volumes of available data and advances in the growing field of data science. However, there are significant barriers to processing large data volumes, such as long retrieval times from data repositories, complex data management, and limited computational resources. New tools and platforms have reduced the barriers to entry for scientific cluster computing, including the maturation of the commercial cloud as an accessible instrument for research. Here, we build a customized research cluster in the cloud to test a new workflow for large-scale seismic analysis, in which data are processed as a stream (retrieved on-the-fly and acted upon without storing), with data from the Incorporated Research Institutions for Seismology Data Management Center. We use this workflow to deploy a spectral peak detection algorithm over 5.6 TB of compressed continuous seismic data from 2074 stations of the USArray Transportable Array EarthScope network. Using a 50-node cluster in the cloud, we completed the noise survey in 80 hr, with an average data throughput of 1.7 GB per minute. By varying cluster sizes, we find the scaling of our analysis to be sublinear, due to a combination of algorithmic limitations and data center response times. The cloud-based streaming workflow represents an order-of-magnitude increase in acquisition and processing speed compared to a traditional download-store-process workflow, and offers the additional benefits of employing a flexible, accessible, and widely used computing architecture. It is limited, however, due to its reliance on Internet transfer speeds and data center service capacity, and may not work well for repeated analyses or those for which even higher data throughputs are needed. These research applications will require a new class of cloud-native approaches in which both data and analysis are in the cloud.

58 GEOSCIENCES↗

TURBO: Terabits/s Using Reconfigurable Bandwidth Optics (Final Report)

Large scale, big science applications are generating petabytes of data that need to be shared among multiple locations. Moving a petabyte of data at 100 Gb/s takes 22 hours. Reducing this to single digit hours or below is clearly attractive and with future applications anticipating exabyte scale transfers, multi-terabit per second capacities are needed. This scale of capacity is available using optical systems. Core optical systems have aggregate per fiber capacities on the order of 10 Tb/s and more than 100 Tb/s system experiments have been realized in the lab. But large optical capacities are not just reserved for the core as similar system capacities are available in metro networks right up to the enterprise, campus, or data center. In general, the same technology is used today in the metro area as in the long-haul networks—reconfigurable optical add drop multiplexing (ROADM) node-based wavelength division multiplexing (WDM) systems. Data centers already support massive internal capacities on the scale of 100’s of Tb/s. As new photonic integrated technologies mature, for example through initiatives such as the Integrated Photonics Innovative Manufacturing Institute (IP-IMI), the cost of optical interfaces is expected to decrease, and higher capacity and higher performance interfaces will become more affordable. This set of circumstances creates the potential that Tb/s capacities will be available at the enterprise and campus level to support large scale science network applications.

42 ENGINEERING↗

Generalized Fluid System Simulation Program, Version 5.0-Educational. Supplemental Information for NASA/TM-2011-216470

The Generalized Fluid System Simulation Program (GFSSP) is a finite-volume based general-purpose computer program for analyzing steady state and time-dependent flow rates, pressures, temperatures, and concentrations in a complex flow network. The program is capable of modeling real fluids with phase changes, compressibility, mixture thermodynamics, conjugate heat transfer between solid and fluid, fluid transients, pumps, compressors and external body forces such as gravity and centrifugal. The thermofluid system to be analyzed is discretized into nodes, branches, and conductors. The scalar properties such as pressure, temperature, and concentrations are calculated at nodes. Mass flow rates and heat transfer rates are computed in branches and conductors. The graphical user interface allows users to build their models using the point, drag and click method; the users can also run their models and post-process the results in the same environment. The integrated fluid library supplies thermodynamic and thermo-physical properties of 36 fluids and 21 different resistance/source options are provided for modeling momentum sources or sinks in the branches. This Technical Memorandum illustrates the application and verification of the code through 12 demonstrated example problems. This supplement gives the input and output data files for the examples.

Majumdar, A. K.↗

Autonomous Byte Stream Randomizer

Net-centric networking environments are often faced with limited resources and must utilize bandwidth as efficiently as possible. In networking environments that span wide areas, the data transmission has to be efficient without any redundant or exuberant metadata. The Autonomous Byte Stream Randomizer software provides an extra level of security on top of existing data encryption methods. Randomizing the data s byte stream adds an extra layer to existing data protection methods, thus making it harder for an attacker to decrypt protected data. Based on a generated crypto-graphically secure random seed, a random sequence of numbers is used to intelligently and efficiently swap the organization of bytes in data using the unbiased and memory-efficient in-place Fisher-Yates shuffle method. Swapping bytes and reorganizing the crucial structure of the byte data renders the data file unreadable and leaves the data in a deconstructed state. This deconstruction adds an extra level of security requiring the byte stream to be reconstructed with the random seed in order to be readable. Once the data byte stream has been randomized, the software enables the data to be distributed to N nodes in an environment. Each piece of the data in randomized and distributed form is a separate entity unreadable on its own right, but when combined with all N pieces, is able to be reconstructed back to one. Reconstruction requires possession of the key used for randomizing the bytes, leading to the generation of the same cryptographically secure random sequence of numbers used to randomize the data. This software is a cornerstone capability possessing the ability to generate the same cryptographically secure sequence on different machines and time intervals, thus allowing this software to be used more heavily in net-centric environments where data transfer bandwidth is limited.

Paloulian, George K.↗

Soft error-mitigating semiconductor design system and associated methods

A soft error-mitigating semiconductor design system and associated methods that tailor circuit design steps to mitigate corruption of data in storage elements (e.g., flip flops) due to Single Events Effects (SEEs). Required storage elements are automatically mapped to triplicated redundant nodes controlled by a voting element that enforces majority-voting logic for fault-free output (i.e., Triple Modular Redundancy (TMR)). Storage elements are also optimally positioned for placement in keeping with SEE-tolerant spacing constraints. Additionally, clock delay insertion (employing either a single global clock or clock triplication) in the TMR specification may introduce useful skew that protects against glitch propagation through the designed device. The resultant layout generated from the TMR configuration may relax constraints imposed on register transfer level (RTL) engineers to make rad-hard designs, as automation introduces TMR storage registers, memory element spacing, and clock delay/triplication with minimal designer input.

Miryala, Sandeep↗

Soft error-mitigating semiconductor design system and associated methods

A soft error-mitigating semiconductor design system and associated methods that tailor circuit design steps to mitigate corruption of data in storage elements (e.g., flip flops) due to Single Events Effects (SEEs). Required storage elements are automatically mapped to triplicated redundant nodes controlled by a voting element that enforces majority-voting logic for fault-free output (i.e., Triple Modular Redundancy (TMR)). Storage elements are also optimally positioned for placement in keeping with SEE-tolerant spacing constraints. Additionally, clock delay insertion (employing either a single global clock or clock triplication) in the TMR specification may introduce useful skew that protects against glitch propagation through the designed device. The resultant layout generated from the TMR configuration may relax constraints imposed on register transfer level (RTL) engineers to make rad-hard designs, as automation introduces TMR storage registers, memory element spacing, and clock delay/triplication with minimal designer input.

Miryala, Sandeep↗

GOES-I/M ascent maneuvers from transfer orbit to station

The Geostationary Operational Environmental Satellite (GOES)-I/M station acquisition sequence consists nominally of three in-plane/out-of-plane maneuvers at apogee on the line of relative nodes and a small in-plane maneuver at perigee. Existing software to determine maneuver attitude, ignition time, and burn duration required modification to optimize the out-of-plane parts and admit the noninertial, three-axis stabilized attitude. The Modified Multiple Impulse Station Acquisition Maneuver Planning Program (SENARIO2) was developed from its predecessor, SCENARIO, to optimize the out-of-plane components of the impulsive delta-V vectors. Additional new features include commputation of short term J sub 2 perturbations and output of all premaneuver and postmaneuver orbit elements, coarse maneuver attitudes, propellant usage, spacecraft antenna aspect angles, and ground station coverage. The output data are intended to be used in the launch window computation and by the maneuver targeting computation (General Maneuver (GMAN) Program) software. The maneuver targeting computation in GMAN was modified to admit the GOES-I/M maneuver attitude. Appropriate combinations of ignition time, burn duration, and attitude enable any reasonable target orbit to be achieved.

Abeyagunawardene, S.↗

Development and validation of a second-order thermal network model for residential buildings

Heating, Ventilation, and Air Conditioning (HVAC) systems can maintain the space air temperature of residential buildings, either directly by heating/cooling the air, or indirectly via heat transfer to and from the building structure that acts as a thermal mass. Hence, HVAC systems can help achieve load shifting, peak load reduction, and/or energy cost saving, thus enabling grid-interactive HVAC operation. A home thermal model that can accurately reflect the dynamics of the space air and interior wall surface temperatures, is therefore valuable. This paper develops such a model using the standard RC (resistance-capacitance) approach. The model contains a virtual envelope node and an internal space node and is thus second-order. A hybrid parameter identification scheme, made up of the least-squares and optimal search methods, is also developed. The proposed model and scheme were validated using data collected from a test home. It was found that a modest amount of training data was sufficient to yield reliable parameter estimates and accurate prediction. It was also found that when making 24-hour-ahead prediction of the space air temperature, both methods had comparable performances when the training data began in a transition season. However, when they began in an HVAC season, the optimal search method performed better. Furthermore, the least-squares method is recommended during a transition season due to its lower computational burden, while the optimal search method is recommended during an HVAC season due to its better estimation performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Programming Strategies for Irregular Algorithms on the Emu Chick

The Emu Chick prototype implements migratory memory-side processing in a novel hardware system. Rather than transferring large amounts of data across the system interconnect, the Emu Chick moves lightweight thread contexts to near-memory cores before the beginning of each remote memory read. Previous work has characterized the performance of the Chick prototype in terms of memory bandwidth and programming differences from more typical, non-migratory platforms, but there has not yet been an analysis of algorithms on this system. This work evaluates irregular algorithms that could benefit from the lightweight, memory-side processing of the Chick and demonstrates techniques and optimization strategies for achieving performance in sparse matrix-vector multiply operation (SpMV), breadth-first search (BFS), and graph alignment across up to eight distributed nodes encompassing 64 nodelets in the Chick system. We also define and justify relative metrics to compare prototype FPGA-based hardware with established ASIC architectures. The Chick currently supports up to 68x scaling for graph alignment, 80 MTEPS for BFS on balanced graphs, and 50% of measured STREAM bandwidth for SpMV.

Hein, Eric↗