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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Parallel replica dynamics method for bistable stochastic reaction networks: Simulation and sensitivity analysis

Stochastic reaction networks that exhibit bistable behavior are common in systems biology, materials science, and catalysis. Sampling of stationary distributions is crucial for understanding and characterizing the long-time dynamics of bistable stochastic dynamical systems. However, simulations are often hindered by the insufficient sampling of rare transitions between the two metastable regions. In this paper, we apply the parallel replica method for a continuous time Markov chain in order to improve sampling of the stationary distribution in bistable stochastic reaction networks. The proposed method uses parallel computing to accelerate the sampling of rare transitions. Furthermore, it can be combined with the path-space information bounds for parametric sensitivity analysis. With the proposed methodology, we study three bistable biological networks: the Schlögl model, the genetic switch network, and the enzymatic futile cycle network. We demonstrate the algorithmic speedup achieved in these numerical benchmarks. More significant acceleration is expected when multi-core or graphics processing unit computer architectures and programming tools such as CUDA are employed

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Updating the Thermal Vacuum Chambers at the NASA Johnson Space Center

Chambers A and B are two large thermal vacuum chambers at Johnson Space Center which enable space simulation for unmanned and human-rated missions, respectively. With the resurgence in deep space missions for scientific research and various private commercial ventures, these chambers are expected to be used frequently for at least the next decade. For qualifying the James Webb Space Telescope, upgrades to Chamber A were performed which included the addition of a 12.5 kW refrigeration system with helium shrouds capable of simulating deep space environment and an efficient and reliable LN2 natural flow thermosiphon system for the thermal shield. Continuous improvements since then have focused on ensuring operational readiness by modernizing the data acquisition, recording, controls, and visualization systems for both chambers and clean room. These upgrades will be the focus of this paper. Controlling the Cryochambers was enhanced by moving from a 32-bit SCADA system to a 64-bit architected system. Infrastructural changes involved installing redundant power circuits, adding new servers, network switches, and including load balancing with fail-over between servers to minimize downtime. Instead of distributed servers, 3 redundant servers are used to share configurations. Configurations are now kept in a shared SQL instance making it easy to deploy and maintain. During this upgrade process many sub-systems (PLCs and NI PXI interfaces to sensors) were upgraded from the prior OPC-DA to the more secure OPC-UA protocol. Cryo-system PLCs were updated to allow Ganni cycle floating pressure calculations from any cold box to be sent to any compressor. During the project, the team recreated over 70,000 live data points, 50000 historical data points, and 4000 alarms. Finally, the graphical interfaces were upgraded to support HTML 5 in conjunction shared pages were implemented reducing the total number of webpages by over 75%. These system updates reinvigorated the previous SCADA system which had reached its end of life. The same look and feel was maintained while providing operators with an updated interface to control, troubleshoot, and record. The new system architecture is more robust and easier to maintain creating a path forward to address remaining problem points and implement additional features.

Cody Schaefer↗
NASA NTRSDate not supplied

Updating the Thermal Vacuum Chambers at the NASA Johnson Space Center

Chambers A and B are two large thermal vacuum chambers at Johnson Space Center which enable space simulation for unmanned and human-rated missions, respectively. With the resurgence in deep space missions for scientific research and various private commercial ventures, these chambers are expected to be used frequently for at least the next decade. For qualifying the James Webb Space Telescope, upgrades to Chamber A were performed which included the addition of a 12.5 kW refrigeration system with helium shrouds capable of simulating deep space environment and an efficient and reliable LN2 natural flow thermosiphon system for the thermal shield. Continuous improvements since then have focused on ensuring operational readiness by modernizing the data acquisition, recording, controls, and visualization systems for both chambers and clean room. These upgrades will be the focus of this paper. Controlling the Cryochambers was enhanced by moving from a 32-bit SCADA system to a 64-bit architected system. Infrastructural changes involved installing redundant power circuits, adding new servers, network switches, and including load balancing with fail-over between servers to minimize downtime. Instead of distributed servers, 3 redundant servers are used to share configurations. Configurations are now kept in a shared SQL instance making it easy to deploy and maintain. During this upgrade process many sub-systems (PLCs and NI PXI interfaces to sensors) were upgraded from the prior OPC-DA to the more secure OPC-UA protocol. Cryo-system PLCs were updated to allow Ganni cycle floating pressure calculations from any cold box to be sent to any compressor. During the project, the team recreated over 70,000 live data points, 50000 historical data points, and 4000 alarms. Finally, the graphical interfaces were upgraded to support HTML 5 in conjunction shared pages were implemented reducing the total number of webpages by over 75%. These system updates reinvigorated the previous SCADA system which had reached its end of life. The same look and feel was maintained while providing operators with an updated interface to control, troubleshoot, and record. The new system architecture is more robust and easier to maintain creating a path forward to address remaining problem points and implement additional features.

Cody Schaefer↗
NASA NTRS1996

The Global File System

The global file system (GFS) is a prototype design for a distributed file system in which cluster nodes physically share storage devices connected via a network-like fiber channel. Networks and network-attached storage devices have advanced to a level of performance and extensibility so that the previous disadvantages of shared disk architectures are no longer valid. This shared storage architecture attempts to exploit the sophistication of storage device technologies whereas a server architecture diminishes a device's role to that of a simple component. GFS distributes the file system responsibilities across processing nodes, storage across the devices, and file system resources across the entire storage pool. GFS caches data on the storage devices instead of the main memories of the machines. Consistency is established by using a locking mechanism maintained by the storage devices to facilitate atomic read-modify-write operations. The locking mechanism is being prototyped in the Silicon Graphics IRIX operating system and is accessed using standard Unix commands and modules.

Soltis, Steven R.↗
NASA NTRSDate not supplied

ASDC’s Python-Based Metadata Extraction Pipeline for Suborbital Campaigns

The FAIRness of data products, especially findability and accessibility depend on rich metadata which, when extracted, can allow for proper curation. Over the past few years, the Atmospheric Science Data Center (ASDC) suborbital science support team has developed a metadata extraction pipeline to ensure the required metadata can be retrieved systematically, effectively, and efficiently to ensure the data can be used by a broad community. The development of a pipeline has presented many, but necessary, challenges to support archival and distribution of ASDC’s 30+ suborbital missions. Though sufficient metadata is provided by instrument scientists, the metadata may not be readily machine actionable due to different formats and templates. Further complicating metadata extraction, our team has found that the nature of metadata can be quite diverse given the difference in measurement types, instruments, and measurement platforms. A metadata extraction pipeline has been developed to provide an efficient, plugin-in based, method for adding new parsers, a configuration system that lets non-developers customize how files are processed, and a system for identifying and logging metadata quality issues to ensure they are readily found and addressed. The metadata extraction pipeline identifies critical pieces of metadata that are needed to promote data FAIRness, including location, file revision, measurement start/end datetime and can be easily modified to extract further information (such as variables). Given the wide-ranging datasets, the pipeline has been modified to accommodate multiple file formats, including multiple versions of ICARTT (International Consortium for Atmospheric Research on Transport and Transformation), HDF (Hierarchical Data Format), netCDF (network Common Data Form), and multiple versions of the Ames File Format. The pipeline also supports building metadata for file formats that cannot have metadata easily extracted from them, such as PDF (Portable Document Format) and GIF (Graphics Interchange Format). The pipeline has allowed our team to maintain a consistent flow of data and metadata to archival and distribution services, ensuring the ASDC meets the needs of the suborbital science community. This presentation will highlight the ASDC’s suborbital metadata extraction pipeline, its development, how it’s been modified to support data FAIRness, and plans for maintaining the pipeline and adding new features.

Abraham Porter↗
NASA NTRSDate not supplied

A Natural Language Understanding Approach for Digitizing Aircraft Ground Taxi Instructions

Recent Advancements in spoken language processing technologies have enabled the development of reliable automation tools to assist air traffic control (ATC) operations. These advancements present a unique opportunity to strategically implement digital taxi instructions for aircraft movement on the ground. Digital taxi instructions issue taxiing procedures to pilots as textual or graphical instructions. There are several benefits of digital instructions, including a reduction in radio congestion, elimination of communication errors, and improved aircraft monitoring capabilities. Natural language understanding (NLU) models can extract digital taxi instructions from verbal instructions issued by air traffic controllers. This capability enables the implementation of a digital taxi communication framework with minimal changes to the existing air traffic controller operational environment. We explore a novel application for NLU: automatically generating digital taxi instructions from air traffic controller speech. We describe the development of an annotation scheme to represent (aircraft) ground traffic communications in the US National Airspace System (NAS).Our annotation scheme uses intent classification and slot filling to extract taxi instructions, enabling NLU models to leverage syntactic information. Several neural network models were trained to categorize the controller’s intent and label information relevant to his or her intent.Our research demonstrates that it is feasible to use NLU to automatically generate digitaltaxi instructions, suggesting that it is a powerful tool for the implementation of digital taxi communications.

Hillel Steinmetz↗
NASA NTRSDate not supplied

A Natural Language Understanding Approach for Digitizing Aircraft Ground Taxi Instructions

Advancements in natural language processing (NLP) technologies offer a unique opportunity to furnish aircraft crews, primarily pilots, with digital instructions for taxiing operations. Digital taxi instructions, delivered either as text or graphics, can streamline taxiing procedures, thereby reducing radio congestion, minimizing communication errors, and enhancing aircraft monitoring. Techniques used for natural language understanding (NLU), a subset of NLP focused on machine comprehension of natural language, can extract taxi instructions directly from verbal radio communications. This capability paves the way for implementing a digital taxi communication framework with minimal adjustments to the existing air traffic controller operations. This paper delves into a novel application of NLU: the automated generation of digital taxi instructions from air traffic controller speech. We detail the development of an annotation scheme to represent aircraft ground traffic communications within the US National Airspace System (NAS), employing intent classification (IC) and slot filling (SF) to extract taxi instructions using NLU models. Several neural network models were trained on a dataset annotated with our scheme, achieving notable accuracy and F1 scores. Our research demonstrates the feasibility of using NLU to automatically generate digital taxi instructions, showcasing its potential to streamline the implementation of digital taxi communications.

LSTM↗
NASA NTRSDate not supplied

A Natural Language Understanding Approach for Digitizing Aircraft Ground Taxi Instructions

Advancements in natural language processing (NLP) technologies offer a unique opportunity to furnish aircraft crews, primarily pilots, with digital instructions for taxiing operations. Digital taxi instructions, delivered either as text or graphics, can streamline taxiing procedures, thereby reducing radio congestion, minimizing communication errors, and enhancing aircraft monitoring. Techniques used for natural language understanding (NLU), a subset of NLP focused on machine comprehension of natural language, can extract taxi instructions directly from verbal radio communications. This capability paves the way for implementing a digital taxi communication framework with minimal adjustments to the existing air traffic controller operations. This paper delves into a novel application of NLU: the automated generation of digital taxi instructions from air traffic controller speech. We detail the development of an annotation scheme to represent aircraft ground traffic communications within the US National Airspace System (NAS), employing intent classification (IC) and slot filling (SF) to extract taxi instructions using NLU models. Several neural network models were trained on a dataset annotated with our scheme, achieving notable accuracy and 𝐹1 scores. Our research demonstrates the feasibility of using NLU to automatically generate digital taxi instructions, showcasing its potential to streamline the implementation of digital taxi communications.

ATC↗
DOE OSTI2011

The role of TiO{sub 2} in the B{sub 2}O{sub 3}-Na{sub 2}O-PbO-Al{sub 2}O{sub 3} glass system

Optical and vibrational studies have been carried out on 60B{sub 2}O{sub 3}.(20-x)Na{sub 2}O.10PbO.10Al{sub 2}O{sub 3}:xTiO{sub 2} (x=0, 1, 2, 3, 4, and 5 mol%) glasses, in order to understand the role of TiO{sub 2} in the 60B{sub 2}O{sub 3}.20Na{sub 2}O.10PbO.10Al{sub 2}O{sub 3} glass matrix. The X-ray patterns reveal homogeneous glasses over the entire compositional range. The absorption spectra show that the energy of the optical band gap ({Delta}E{sub opt}) and Urbach's energy (E{sub U}) decreases as TiO{sub 2} content increases. The changes observed in the Raman and IR spectra are related to the BO{sub 4}{yields}BO{sub 3} back conversion effect and the appearance of 'loose' BO{sub 4}{sup -} groups. The data indicate that titanium ions act as a network modifier. - Graphical abstract: Behavior of the relative integrated intensity of the IR bands, Ar=A{sub 4}/A{sub 3}, as TiO{sub 2} content increases. A decrease of 45% of Ar indicates that the number of BO{sub 4} groups is decreasing due to the BO{sub 4}{yields}BO{sub 3} back conversion. Highlights: > The XRD data show the amorphous character of all measured glasses. > The optical absorption results evidenced possible change of the glass structure. > The Raman data have revealed some vibrational modifications. > The overall results indicate that titanium acts as a network modifier.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

IMG-ABC: new features for bacterial secondary metabolism analysis and targeted biosynthetic gene cluster discovery in thousands of microbial genomes

Secondary metabolites produced by microbes have diverse biological functions, which makes them a great potential source of biotechnologically relevant compounds with antimicrobial, anti-cancer and other activities. The proteins needed to synthesize these natural products are often encoded by clusters of co-located genes called biosynthetic gene clusters (BCs). In order to advance the exploration of microbial secondary metabolism, we developed the largest publically available database of experimentally verified and predicted BCs, the Integrated Microbial Genomes Atlas of Biosynthetic gene Clusters (IMG-ABC) (https://img.jgi.doe.gov/abc/). Here, we describe an update of IMG-ABC, which includes ClusterScout, a tool for targeted identification of custom biosynthetic gene clusters across 40 000 isolate microbial genomes, and a new search capability to query more than 700 000 BCs from isolate genomes for clusters with similar Pfam composition. Additional features enable fast exploration and analysis of BCs through two new interactive visualization features, a BC function heatmap and a BC similarity network graph. These new tools and features add to the value of IMG-ABC's vast body of BC data, facilitating their in-depth analysis and accelerating secondary metabolite discovery.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1993

Designers' models of the human-computer interface

Understanding design models of the human-computer interface (HCI) may produce two types of benefits. First, interface development often requires input from two different types of experts: human factors specialists and software developers. Given the differences in their backgrounds and roles, human factors specialists and software developers may have different cognitive models of the HCI. Yet, they have to communicate about the interface as part of the design process. If they have different models, their interactions are likely to involve a certain amount of miscommunication. Second, the design process in general is likely to be guided by designers' cognitive models of the HCI, as well as by their knowledge of the user, tasks, and system. Designers do not start with a blank slate; rather they begin with a general model of the object they are designing. The author's approach to a design model of the HCI was to have three groups make judgments of categorical similarity about the components of an interface: human factors specialists with HCI design experience, software developers with HCI design experience, and a baseline group of computer users with no experience in HCI design. The components of the user interface included both display components such as windows, text, and graphics, and user interaction concepts, such as command language, editing, and help. The judgments of the three groups were analyzed using hierarchical cluster analysis and Pathfinder. These methods indicated, respectively, how the groups categorized the concepts, and network representations of the concepts for each group. The Pathfinder analysis provides greater information about local, pairwise relations among concepts, whereas the cluster analysis shows global, categorical relations to a greater extent.

Gillan, Douglas J.↗
NASA NTRS1992

GRO/EGRET data analysis software: An integrated system of custom and commercial software using standard interfaces

The Energetic Gamma Ray Telescope Experiment (EGRET) on the Compton Gamma Ray Observatory has been in orbit for more than a year and is being used to map the full sky for gamma rays in a wide energy range from 30 to 20,000 MeV. Already these measurements have resulted in a wide range of exciting new information on quasars, pulsars, galactic sources, and diffuse gamma ray emission. The central part of the analysis is done with sky maps that typically cover an 80 x 80 degree section of the sky for an exposure time of several days. Specific software developed for this program generates the counts, exposure, and intensity maps. The analysis is done on a network of UNIX based workstations and takes full advantage of a custom-built user interface called X-dialog. The maps that are generated are stored in the FITS format for a collection of energies. These, along with similar diffuse emission background maps generated from a model calculation, serve as input to a maximum likelihood program that produces maps of likelihood with optional contours that are used to evaluate regions for sources. Likelihood also evaluates the background corrected intensity at each location for each energy interval from which spectra can be generated. Being in a standard FITS format permits all of the maps to be easily accessed by the full complement of tools available in several commercial astronomical analysis systems. In the EGRET case, IDL is used to produce graphics plots in two and three dimensions and to quickly implement any special evaluation that might be desired. Other custom-built software, such as the spectral and pulsar analyses, take advantage of the XView toolkit for display and Postscript output for the color hard copy. This poster paper outlines the data flow and provides examples of the user interfaces and output products. It stresses the advantages that are derived from the integration of the specific instrument-unique software and powerful commercial tools for graphics and statistical evaluation. This approach has several proven advantages including flexibility, a minimum of development effort, ease of use, and portability.

Laubenthal, N. A.↗
NASA NTRS1988

Mission telemetry system monitor: A real-time knowledge-based system

The Galileo Mission Telemetry System (MTS) has a cluster of computer subsystems configured as a star network. The MTS handles the real-time processing of spacecraft telemetry and ground monitor data. Large volumes of status and fault messages are generated as a result of changes in the system environment. These messages are triggered by the conditions that exist on any one particular subsystem or device. The order of message generation is in time sequence and does not always correlate to the function sequence of active processes. A significant number of messages provide context with varying degrees of uncertainty. As such, highly skilled telemetry controllers are required to regularly go through high volumes of messages generated by the MTS to identify, diagnose, and isolate faults. A knowledge-based system prototype is being developed to monitor the Galileo Mission Telemetry System performance. The system design approach features temporal reasoning, uncertainty management, and intelligent graphic user interfaces.

Mouneimne, Samih A.↗
NASA NTRS1994

Performance evaluation of the Engineering Analysis and Data Systems (EADS) 2

The Engineering Analysis and Data System (EADS)II (1) was installed in March 1993 to provide high performance computing for science and engineering at Marshall Space Flight Center (MSFC). EADS II increased the computing capabilities over the existing EADS facility in the areas of throughput and mass storage. EADS II includes a Vector Processor Compute System (VPCS), a Virtual Memory Compute System (CFS), a Common Output System (COS), as well as Image Processing Station, Mini Super Computers, and Intelligent Workstations. These facilities are interconnected by a sophisticated network system. This work considers only the performance of the VPCS and the CFS. The VPCS is a Cray YMP. The CFS is implemented on an RS 6000 using the UniTree Mass Storage System. To better meet the science and engineering computing requirements, EADS II must be monitored, its performance analyzed, and appropriate modifications for performance improvement made. Implementing this approach requires tool(s) to assist in performance monitoring and analysis. In Spring 1994, PerfStat 2.0 was purchased to meet these needs for the VPCS and the CFS. PerfStat(2) is a set of tools that can be used to analyze both historical and real-time performance data. Its flexible design allows significant user customization. The user identifies what data is collected, how it is classified, and how it is displayed for evaluation. Both graphical and tabular displays are supported. The capability of the PerfStat tool was evaluated, appropriate modifications to EADS II to optimize throughput and enhance productivity were suggested and implemented, and the effects of these modifications on the systems performance were observed. In this paper, the PerfStat tool is described, then its use with EADS II is outlined briefly. Next, the evaluation of the VPCS, as well as the modifications made to the system are described. Finally, conclusions are drawn and recommendations for future worked are outlined.

Debrunner, Linda S.↗
DOE OSTI2013

A new strontium antimonate{sup III} Sr{sub 5}Sb{sub 22}O{sub 38}: Synthesis, crystal structure and characterizations

A new strontium antimonate{sup III}, Sr{sub 5}Sb{sub 22}O{sub 38}, has been hydrothermally synthesized and structurally characterized by single crystal X-ray diffraction. It crystallizes in the P2{sub 1}/n space group of the monoclinic system with a=11.739(9) Å, b=12.014(10) Å, c=16.412(13) Å, β=91.460(8)°, V=2314.0(3) Å{sup 3}. The crystal structure is built of seven trigonal–pyramidal SbO{sub 3} and four sphenoid SbO{sub 4} polyhedra which are connected through sharing corner-oxygen atoms to form the complex three-dimensional {sub ∞}{sup 3}[Sb{sub 22}O{sub 38}]{sup 10−} anionic network with two different intersectant tunnels along the [111-bar ] and [11-bar 1-bar ] directions accommodating the electric charge balanced Sr{sup 2+} cations. First-principles electronic structure calculations based on the density functional theory (DFT) and the UV–vis diffuse reflectance spectroscopy measurements both indicate that the compound belongs to a direct band insulator with an optical gap value of 3.3 eV. - Graphical abstract: The 2D Sb–O slabs are stacked through sharing oxygen atoms to form the 3D network structure of the new strontium antimonate{sup III} Sr{sub 5}Sb{sub 22}O{sub 38}. - Highlights: • A new strontium antimonate{sup III}, Sr{sub 5}Sb{sub 22}O{sub 38}, has been hydrothermally synthesized. • The single crystal structure was determined by X-ray diffraction. • The powder XRD and UV–vis absorption spectroscopy were studied. • Theoretical studies interpret the relationships between optical absorption and crystal structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2014

Use of Machine Learning Techniques for Iidentification of Robust Teleconnections to East African Rainfall Variability in Observations and Models

Providing advance warning of East African rainfall variations is a particular focus of several groups including those participating in the Famine Early Warming Systems Network. Both seasonal and long-term model projections of climate variability are being used to examine the societal impacts of hydrometeorological variability on seasonal to interannual and longer time scales. The NASA / USAID SERVIR project, which leverages satellite and modeling-based resources for environmental decision making in developing nations, is focusing on the evaluation of both seasonal and climate model projections to develop downscaled scenarios for using in impact modeling. The utility of these projections is reliant on the ability of current models to capture the embedded relationships between East African rainfall and evolving forcing within the coupled ocean-atmosphere-land climate system. Previous studies have posited relationships between variations in El Niño, the Walker circulation, Pacific decadal variability (PDV), and anthropogenic forcing. This study applies machine learning methods (e.g. clustering, probabilistic graphical model, nonlinear PCA) to observational datasets in an attempt to expose the importance of local and remote forcing mechanisms of East African rainfall variability. The ability of the NASA Goddard Earth Observing System (GEOS5) coupled model to capture the associated relationships will be evaluated using Coupled Model Intercomparison Project Phase 5 (CMIP5) simulations.

Roberts, J. Brent↗
DOE OSTI2013

Novel alkaline earth copper germanates with ferro and antiferromagnetic S=1/2 chains

Two new alkaline earth copper(II) germanates were hydrothermally synthesized: CaCuGeO{sub 4}{center_dot}H{sub 2}O (1) and BaCu{sub 2}Ge{sub 3}O{sub 9}{center_dot}H{sub 2}O (2), and their structures determined by single crystal X-ray diffraction. Compound (1) crystallizes in space group P2{sub 1}/c with a=5.1320(2) Angstrom-Sign , b=16.1637(5) Angstrom-Sign , c=5.4818(2) Angstrom-Sign , {beta}=102.609(2) Degree-Sign , V=443.76(3) Angstrom-Sign {sup 3} and Z=4. This copper germanate contains layers of composition [CuGeO{sub 4}]{sub {infinity}}{sup 2-} comprising CuO{sub 4} square planes and GeO{sub 4} tetrahedra with calcium and water molecules in the inter-layer space. Compound (2) crystallizes in the Cmcm space group with a=5.5593(3) Angstrom-Sign , b=10.8606(9) Angstrom-Sign , c=13.5409(8) Angstrom-Sign , V=817.56(9) Angstrom-Sign {sup 3} and Z=4. This structure contains GeO{sub 6} and CuO{sub 6} octahedra as well as GeO{sub 4} tetrahedra, forming a three-dimensional network of interconnecting six-membered ring channels. The magnetic susceptibility for both samples can be interpreted as S=1/2 chains, in agreement with the copper topology observed in the crystal structure. The susceptibility of (1) exhibits a Bonner-Fisher type behavior, resulting from antiferromagnetic intra-chain interactions without three-dimensional ordering down to 5 K-the lowest measured temperature. This observation, together with the absence of super-exchange paths between the copper chains, make this system particularly promising for the study of low dimensional magnetism. The magnetic properties of (2) show a very weak ferromagnetic near-neighbor interaction along the chain. In this compound a peak the {chi}T plot seems to indicate the onset of interchain antiferromagentic correlations. However, no ordering temperature is detected in the susceptibility data. - Graphical abstract: Copper chains present in CaCuGeO{sub 4}{center_dot}H{sub 2}O and BaCu{sub 2}Ge{sub 3}O{sub 9}{center_dot}H{sub 2}O, two novel copper germanates synthesized hydrothermally, showing antiferromagnetic and ferromagnetic intra-chain interactions respectively. Highlights: Black-Right-Pointing-Pointer The structure of two new chain containing copper germinates is reported. Black-Right-Pointing-Pointer The calcium compound CaCuGeO{sub 4}{center_dot}H{sub 2}O contains corner sharing square planes. Black-Right-Pointing-Pointer The barium compound BaCu{sub 2}Ge{sub 3}O{sub 9}, displays edge sharing octahedra. Black-Right-Pointing-Pointer Susceptibility data show that the Ca compound is a one-dimensional antiferromagnet while Ba is a weak ferromagnet.

36 MATERIALS SCIENCE↗
DOE OSTI2012

A novel structure and photochromism of heteropolyoxometalates dispersed in polymer networks

Nanocomposites based on Keggin structure tungstophosphate acid (PWA) with 'branch-like' nanometer well dispersed in poly(acrylamide-co-vinylamine) (PAM-co-PVAm) were fabricated. The microstructure and photochromic properties were studied via Fourier transform infrared spectroscopy (FT-IR), scanning electron microscope (SEM), transmission electron microscope (TEM), ultraviolet-visible spectra (UV-vis) and electron resonance spectra (ESR). FT-IR results showed that the Keggin geometry of polyoxometalates was still preserved inside the composites and hydrogen bonding and salt formation were built between PWA and polymer matrix. SEM and TEM images showed that PWA nanoparticles were finely dispersed in polymer matrix with 'branch-like' shape. Under UV irradiation, the film was reduced photochemically to yield a glaucous species. After UV light turned off, the color of film became green. Two photo-reduction processes (one was between acylamino and heteropoly acid, another was between amidocyanogen and heteropoly acid) occurred at the same time in PWA/PAM-co-PVAm system, which resulted in the formation of heteropolygreen. - Graphical abstract: Two absorption bands appeared after UV irradiated. In bleaching process, the peaks at 620-820 nm disappeared and those at 420 nm still presented. Due to synergies happened between heteropolyacid and PAM-co-PVAm, heteropolygreen was formed. Highlights: Black-Right-Pointing-Pointer 'Branch-like' composites were fabricated by dispersed PWA into PAM-co-PVAm system. Black-Right-Pointing-Pointer Two photo-reduction processes occurred simultaneously in PWA/PAM-co-PVAm system. Black-Right-Pointing-Pointer Heteropolygreen was formed by synergies of hydrogen bonding and salt formation.

36 MATERIALS SCIENCE↗