Collection, processing, and reporting of damage tolerant design data for non-aerospace structural materials

NASA Technical Reports Server (NTRS)

Huber, P. D.; Gallagher, J. P.

1994-01-01

This report describes the organization, format and content of the NASA Johnson damage tolerant database which was created to store damage tolerant property data for non aerospace structural materials. The database is designed to store fracture toughness data (K(sub IC), K(sub c), J(sub IC) and CTOD(sub IC)), resistance curve data (K(sub R) VS. delta a (sub eff) and JR VS. delta a (sub eff)), as well as subcritical crack growth data (a vs. N and da/dN vs. delta K). The database contains complementary material property data for both stainless and alloy steels, as well as for aluminum, nickel, and titanium alloys which were not incorporated into the Damage Tolerant Design Handbook database.

Blending Education and Polymer Science: Semi Automated Creation of a Thermodynamic Property Database.

PubMed

Tchoua, Roselyne B; Qin, Jian; Audus, Debra J; Chard, Kyle; Foster, Ian T; de Pablo, Juan

2016-09-13

Structured databases of chemical and physical properties play a central role in the everyday research activities of scientists and engineers. In materials science, researchers and engineers turn to these databases to quickly query, compare, and aggregate various properties, thereby allowing for the development or application of new materials. The vast majority of these databases have been generated manually, through decades of labor-intensive harvesting of information from the literature; yet, while there are many examples of commonly used databases, a significant number of important properties remain locked within the tables, figures, and text of publications. The question addressed in our work is whether, and to what extent, the process of data collection can be automated. Students of the physical sciences and engineering are often confronted with the challenge of finding and applying property data from the literature, and a central aspect of their education is to develop the critical skills needed to identify such data and discern their meaning or validity. To address shortcomings associated with automated information extraction, while simultaneously preparing the next generation of scientists for their future endeavors, we developed a novel course-based approach in which students develop skills in polymer chemistry and physics and apply their knowledge by assisting with the semi-automated creation of a thermodynamic property database.

Blending Education and Polymer Science: Semiautomated Creation of a Thermodynamic Property Database

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tchoua, Roselyne B.; Qin, Jian; Audus, Debra J.

Structured databases of chemical and physical properties play a central role in the everyday research activities of scientists and engineers. In materials science, researchers and engineers turn to these databases to quickly query, compare, and aggregate various properties, thereby allowing for the development or application of new materials. The vast majority of these databases have been generated manually, through decades of labor-intensive harvesting of information from the literature, yet while there are many examples of commonly used databases, a significant number of important properties remain locked within the tables, figures, and text of publications. The question addressed in our workmore » is whether and to what extent the process of data collection can be automated. Students of the physical sciences and engineering are often confronted with the challenge of finding and applying property data from the literature, and a central aspect of their education is to develop the critical skills needed to identify such data and discern their meaning or validity. To address shortcomings associated with automated information extraction while simultaneously preparing the next generation of scientists for their future endeavors, we developed a novel course-based approach in which students develop skills in polymer chemistry and physics and apply their knowledge by assisting with the semiautomated creation of a thermodynamic property database.« less

In-Space Manufacturing Baseline Property Development

NASA Technical Reports Server (NTRS)

Stockman, Tom; Schneider, Judith; Prater, Tracie; Bean, Quincy; Werkheiser, Nicki

2016-01-01

The In-Space Manufacturing (ISM) project at NASA Marshall Space Flight Center currently operates a 3D FDM (fused deposition modeling) printer onboard the International Space Station. In order to enable utilization of this capability by designer, the project needs to establish characteristic material properties for materials produced using the process. This is difficult for additive manufacturing since standards and specifications do not yet exist for these technologies. Due to availability of crew time, there are limitations to the sample size which in turn limits the application of the traditional design allowables approaches to develop a materials property database for designers. In this study, various approaches to development of material databases were evaluated for use by designers of space systems who wish to leverage in-space manufacturing capabilities. This study focuses on alternative statistical techniques for baseline property development to support in-space manufacturing.

First year progress report on the development of the Texas flexible pavement database.

DOT National Transportation Integrated Search

2008-01-01

Comprehensive and reliable databases are essential for the development, validation, and calibration of any pavement : design and rehabilitation system. These databases should include material properties, pavement structural : characteristics, highway...

Structural Ceramics Database

National Institute of Standards and Technology Data Gateway

SRD 30 NIST Structural Ceramics Database (Web, free access)   The NIST Structural Ceramics Database (WebSCD) provides evaluated materials property data for a wide range of advanced ceramics known variously as structural ceramics, engineering ceramics, and fine ceramics.

Computational prediction of new auxetic materials.

PubMed

Dagdelen, John; Montoya, Joseph; de Jong, Maarten; Persson, Kristin

2017-08-22

Auxetics comprise a rare family of materials that manifest negative Poisson's ratio, which causes an expansion instead of contraction under tension. Most known homogeneously auxetic materials are porous foams or artificial macrostructures and there are few examples of inorganic materials that exhibit this behavior as polycrystalline solids. It is now possible to accelerate the discovery of materials with target properties, such as auxetics, using high-throughput computations, open databases, and efficient search algorithms. Candidates exhibiting features correlating with auxetic behavior were chosen from the set of more than 67 000 materials in the Materials Project database. Poisson's ratios were derived from the calculated elastic tensor of each material in this reduced set of compounds. We report that this strategy results in the prediction of three previously unidentified homogeneously auxetic materials as well as a number of compounds with a near-zero homogeneous Poisson's ratio, which are here denoted "anepirretic materials".There are very few inorganic materials with auxetic homogenous Poisson's ratio in polycrystalline form. Here authors develop an approach to screening materials databases for target properties such as negative Poisson's ratio by using stability and structural motifs to predict new instances of homogenous auxetic behavior as well as a number of materials with near-zero Poisson's ratio.

DMTB: the magnetotactic bacteria database

NASA Astrophysics Data System (ADS)

Pan, Y.; Lin, W.

2012-12-01

Magnetotactic bacteria (MTB) are of interest in biogeomagnetism, rock magnetism, microbiology, biomineralization, and advanced magnetic materials because of their ability to synthesize highly ordered intracellular nano-sized magnetic minerals, magnetite or greigite. Great strides for MTB studies have been made in the past few decades. More than 600 articles concerning MTB have been published. These rapidly growing data are stimulating cross disciplinary studies in such field as biogeomagnetism. We have compiled the first online database for MTB, i.e., Database of Magnestotactic Bacteria (DMTB, http://database.biomnsl.com). It contains useful information of 16S rRNA gene sequences, oligonucleotides, and magnetic properties of MTB, and corresponding ecological metadata of sampling sites. The 16S rRNA gene sequences are collected from the GenBank database, while all other data are collected from the scientific literature. Rock magnetic properties for both uncultivated and cultivated MTB species are also included. In the DMTB database, data are accessible through four main interfaces: Site Sort, Phylo Sort, Oligonucleotides, and Magnetic Properties. References in each entry serve as links to specific pages within public databases. The online comprehensive DMTB will provide a very useful data resource for researchers from various disciplines, e.g., microbiology, rock magnetism and paleomagnetism, biogeomagnetism, magnetic material sciences and others.

A database to enable discovery and design of piezoelectric materials

PubMed Central

de Jong, Maarten; Chen, Wei; Geerlings, Henry; Asta, Mark; Persson, Kristin Aslaug

2015-01-01

Piezoelectric materials are used in numerous applications requiring a coupling between electrical fields and mechanical strain. Despite the technological importance of this class of materials, for only a small fraction of all inorganic compounds which display compatible crystallographic symmetry, has piezoelectricity been characterized experimentally or computationally. In this work we employ first-principles calculations based on density functional perturbation theory to compute the piezoelectric tensors for nearly a thousand compounds, thereby increasing the available data for this property by more than an order of magnitude. The results are compared to select experimental data to establish the accuracy of the calculated properties. The details of the calculations are also presented, along with a description of the format of the database developed to make these computational results publicly available. In addition, the ways in which the database can be accessed and applied in materials development efforts are described. PMID:26451252

A Database Approach for Predicting and Monitoring Baked Anode Properties

NASA Astrophysics Data System (ADS)

Lauzon-Gauthier, Julien; Duchesne, Carl; Tessier, Jayson

2012-11-01

The baked anode quality control strategy currently used by most carbon plants based on testing anode core samples in the laboratory is inadequate for facing increased raw material variability. The low core sampling rate limited by lab capacity and the common practice of reporting averaged properties based on some anode population mask a significant amount of individual anode variability. In addition, lab results are typically available a few weeks after production and the anodes are often already set in the reduction cells preventing early remedial actions when necessary. A database approach is proposed in this work to develop a soft-sensor for predicting individual baked anode properties at the end of baking cycle. A large historical database including raw material properties, process operating parameters and anode core data was collected from a modern Alcoa plant. A multivariate latent variable PLS regression method was used for analyzing the large database and building the soft-sensor model. It is shown that the general low frequency trends in most anode physical and mechanical properties driven by raw material changes are very well captured by the model. Improvements in the data infrastructure (instrumentation, sampling frequency and location) will be necessary for predicting higher frequency variations in individual baked anode properties. This paper also demonstrates how multivariate latent variable models can be interpreted against process knowledge and used for real-time process monitoring of carbon plants, and detection of faults and abnormal operation.

Heat Transmission Properties of Insulating and Building Materials

National Institute of Standards and Technology Data Gateway

SRD 81 NIST Heat Transmission Properties of Insulating and Building Materials (Web, free access)   NIST has accumulated a valuable and comprehensive collection of thermal conductivity data. Version 1.0 of the database includes data for over 2000 measurements, covering several categories of materials including concrete, fiberboard, plastics, thermal insulation, and rubber.

An open experimental database for exploring inorganic materials

DOE PAGES

Zakutayev, Andriy; Wunder, Nick; Schwarting, Marcus; ...

2018-04-03

The use of advanced machine learning algorithms in experimental materials science is limited by the lack of sufficiently large and diverse datasets amenable to data mining. If publicly open, such data resources would also enable materials research by scientists without access to expensive experimental equipment. Here, we report on our progress towards a publicly open High Throughput Experimental Materials (HTEM) Database (htem.nrel.gov). This database currently contains 140,000 sample entries, characterized by structural (100,000), synthetic (80,000), chemical (70,000), and optoelectronic (50,000) properties of inorganic thin film materials, grouped in >4,000 sample entries across >100 materials systems; more than a half ofmore » these data are publicly available. This article shows how the HTEM database may enable scientists to explore materials by browsing web-based user interface and an application programming interface. This paper also describes a HTE approach to generating materials data, and discusses the laboratory information management system (LIMS), that underpin HTEM database. Finally, this manuscript illustrates how advanced machine learning algorithms can be adopted to materials science problems using this open data resource.« less

An open experimental database for exploring inorganic materials.

PubMed

Zakutayev, Andriy; Wunder, Nick; Schwarting, Marcus; Perkins, John D; White, Robert; Munch, Kristin; Tumas, William; Phillips, Caleb

2018-04-03

The use of advanced machine learning algorithms in experimental materials science is limited by the lack of sufficiently large and diverse datasets amenable to data mining. If publicly open, such data resources would also enable materials research by scientists without access to expensive experimental equipment. Here, we report on our progress towards a publicly open High Throughput Experimental Materials (HTEM) Database (htem.nrel.gov). This database currently contains 140,000 sample entries, characterized by structural (100,000), synthetic (80,000), chemical (70,000), and optoelectronic (50,000) properties of inorganic thin film materials, grouped in >4,000 sample entries across >100 materials systems; more than a half of these data are publicly available. This article shows how the HTEM database may enable scientists to explore materials by browsing web-based user interface and an application programming interface. This paper also describes a HTE approach to generating materials data, and discusses the laboratory information management system (LIMS), that underpin HTEM database. Finally, this manuscript illustrates how advanced machine learning algorithms can be adopted to materials science problems using this open data resource.

An open experimental database for exploring inorganic materials

PubMed Central

Zakutayev, Andriy; Wunder, Nick; Schwarting, Marcus; Perkins, John D.; White, Robert; Munch, Kristin; Tumas, William; Phillips, Caleb

2018-01-01

The use of advanced machine learning algorithms in experimental materials science is limited by the lack of sufficiently large and diverse datasets amenable to data mining. If publicly open, such data resources would also enable materials research by scientists without access to expensive experimental equipment. Here, we report on our progress towards a publicly open High Throughput Experimental Materials (HTEM) Database (htem.nrel.gov). This database currently contains 140,000 sample entries, characterized by structural (100,000), synthetic (80,000), chemical (70,000), and optoelectronic (50,000) properties of inorganic thin film materials, grouped in >4,000 sample entries across >100 materials systems; more than a half of these data are publicly available. This article shows how the HTEM database may enable scientists to explore materials by browsing web-based user interface and an application programming interface. This paper also describes a HTE approach to generating materials data, and discusses the laboratory information management system (LIMS), that underpin HTEM database. Finally, this manuscript illustrates how advanced machine learning algorithms can be adopted to materials science problems using this open data resource. PMID:29611842

An open experimental database for exploring inorganic materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zakutayev, Andriy; Wunder, Nick; Schwarting, Marcus

The use of advanced machine learning algorithms in experimental materials science is limited by the lack of sufficiently large and diverse datasets amenable to data mining. If publicly open, such data resources would also enable materials research by scientists without access to expensive experimental equipment. Here, we report on our progress towards a publicly open High Throughput Experimental Materials (HTEM) Database (htem.nrel.gov). This database currently contains 140,000 sample entries, characterized by structural (100,000), synthetic (80,000), chemical (70,000), and optoelectronic (50,000) properties of inorganic thin film materials, grouped in >4,000 sample entries across >100 materials systems; more than a half ofmore » these data are publicly available. This article shows how the HTEM database may enable scientists to explore materials by browsing web-based user interface and an application programming interface. This paper also describes a HTE approach to generating materials data, and discusses the laboratory information management system (LIMS), that underpin HTEM database. Finally, this manuscript illustrates how advanced machine learning algorithms can be adopted to materials science problems using this open data resource.« less

Cryogenic Information Center

NASA Technical Reports Server (NTRS)

Mohling, Robert A.; Marquardt, Eric D.; Fusilier, Fred C.; Fesmire, James E.

2003-01-01

The Cryogenic Information Center (CIC) is a not-for-profit corporation dedicated to preserving and distributing cryogenic information to government, industry, and academia. The heart of the CIC is a uniform source of cryogenic data including analyses, design, materials and processes, and test information traceable back to the Cryogenic Data Center of the former National Bureau of Standards. The electronic database is a national treasure containing over 146,000 specific bibliographic citations of cryogenic literature and thermophysical property data dating back to 1829. A new technical/bibliographic inquiry service can perform searches and technical analyses. The Cryogenic Material Properties (CMP) Program consists of computer codes using empirical equations to determine thermophysical material properties with emphasis on the 4-300K range. CMP's objective is to develop a user-friendly standard material property database using the best available data so government and industry can conduct more accurate analyses. The CIC serves to benefit researchers, engineers, and technologists in cryogenics and cryogenic engineering, whether they are new or experienced in the field.

Materials Characterization at Utah State University: Facilities and Knowledge-base of Electronic Properties of Materials Applicable to Spacecraft Charging

NASA Technical Reports Server (NTRS)

Dennison, J. R.; Thomson, C. D.; Kite, J.; Zavyalov, V.; Corbridge, Jodie

2004-01-01

In an effort to improve the reliability and versatility of spacecraft charging models designed to assist spacecraft designers in accommodating and mitigating the harmful effects of charging on spacecraft, the NASA Space Environments and Effects (SEE) Program has funded development of facilities at Utah State University for the measurement of the electronic properties of both conducting and insulating spacecraft materials. We present here an overview of our instrumentation and capabilities, which are particularly well suited to study electron emission as related to spacecraft charging. These measurements include electron-induced secondary and backscattered yields, spectra, and angular resolved measurements as a function of incident energy, species and angle, plus investigations of ion-induced electron yields, photoelectron yields, sample charging and dielectric breakdown. Extensive surface science characterization capabilities are also available to fully characterize the samples in situ. Our measurements for a wide array of conducting and insulating spacecraft materials have been incorporated into the SEE Charge Collector Knowledge-base as a Database of Electronic Properties of Materials Applicable to Spacecraft Charging. This Database provides an extensive compilation of electronic properties, together with parameterization of these properties in a format that can be easily used with existing spacecraft charging engineering tools and with next generation plasma, charging, and radiation models. Tabulated properties in the Database include: electron-induced secondary electron yield, backscattered yield and emitted electron spectra; He, Ar and Xe ion-induced electron yields and emitted electron spectra; photoyield and solar emittance spectra; and materials characterization including reflectivity, dielectric constant, resistivity, arcing, optical microscopy images, scanning electron micrographs, scanning tunneling microscopy images, and Auger electron spectra. Further details of the instrumentation used for insulator measurements and representative measurements of insulating spacecraft materials are provided in other Spacecraft Charging Conference presentations. The NASA Space Environments and Effects Program, the Air Force Office of Scientific Research, the Boeing Corporation, NASA Graduate Research Fellowships, and the NASA Rocky Mountain Space Grant Consortium have provided support.

Fatigue Crack Growth Database for Damage Tolerance Analysis

NASA Technical Reports Server (NTRS)

Forman, R. G.; Shivakumar, V.; Cardinal, J. W.; Williams, L. C.; McKeighan, P. C.

2005-01-01

The objective of this project was to begin the process of developing a fatigue crack growth database (FCGD) of metallic materials for use in damage tolerance analysis of aircraft structure. For this initial effort, crack growth rate data in the NASGRO (Registered trademark) database, the United States Air Force Damage Tolerant Design Handbook, and other publicly available sources were examined and used to develop a database that characterizes crack growth behavior for specific applications (materials). The focus of this effort was on materials for general commercial aircraft applications, including large transport airplanes, small transport commuter airplanes, general aviation airplanes, and rotorcraft. The end products of this project are the FCGD software and this report. The specific goal of this effort was to present fatigue crack growth data in three usable formats: (1) NASGRO equation parameters, (2) Walker equation parameters, and (3) tabular data points. The development of this FCGD will begin the process of developing a consistent set of standard fatigue crack growth material properties. It is envisioned that the end product of the process will be a general repository for credible and well-documented fracture properties that may be used as a default standard in damage tolerance analyses.

MatProps: Material Properties Database and Associated Access Library

DOE Office of Scientific and Technical Information (OSTI.GOV)

Durrenberger, J K; Becker, R C; Goto, D M

2007-08-13

Coefficients for analytic constitutive and equation of state models (EOS), which are used by many hydro codes at LLNL, are currently stored in a legacy material database (Steinberg, UCRL-MA-106349). Parameters for numerous materials are available through this database, and include Steinberg-Guinan and Steinberg-Lund constitutive models for metals, JWL equations of state for high explosives, and Mie-Gruniesen equations of state for metals. These constitutive models are used in most of the simulations done by ASC codes today at Livermore. Analytic EOSs are also still used, but have been superseded in many cases by tabular representations in LEOS (http://leos.llnl.gov). Numerous advanced constitutivemore » models have been developed and implemented into ASC codes over the past 20 years. These newer models have more physics and better representations of material strength properties than their predecessors, and therefore more model coefficients. However, a material database of these coefficients is not readily available. Therefore incorporating these coefficients with those of the legacy models into a portable database that could be shared amongst codes would be most welcome. The goal of this paper is to describe the MatProp effort at LLNL to create such a database and associated access library that could be used by codes throughout the DOE complex and beyond. We have written an initial version of the MatProp database and access library and our DOE/ASC code ALE3D (Nichols et. al., UCRL-MA-152204) is able to import information from the database. The database, a link to which exists on the Sourceforge server at LLNL, contains coefficients for many materials and models (see Appendix), and includes material parameters in the following categories--flow stress, shear modulus, strength, damage, and equation of state. Future versions of the Matprop database and access library will include the ability to read and write material descriptions that can be exchanged between codes. It will also include an ability to do unit changes, i.e. have the library return parameters in user-specified unit systems. In addition to these, additional material categories can be added (e.g., phase change kinetics, etc.). The Matprop database and access library is part of a larger set of tools used at LLNL for assessing material model behavior. One of these is MSlib, a shared constitutive material model library. Another is the Material Strength Database (MSD), which allows users to compare parameter fits for specific constitutive models to available experimental data. Together with Matprop, these tools create a suite of capabilities that provide state-of-the-art models and parameters for those models to integrated simulation codes. This document is broken into several appendices. Appendix A contains a code example to retrieve several material coefficients. Appendix B contains the API for the Matprop data access library. Appendix C contains a list of the material names and model types currently available in the Matprop database. Appendix D contains a list of the parameter names for the currently recognized model types. Appendix E contains a full xml description of the material Tantalum.« less

Detection of material property errors in handbooks and databases using artificial neural networks with hidden correlations

NASA Astrophysics Data System (ADS)

Zhang, Y. M.; Evans, J. R. G.; Yang, S. F.

2010-11-01

The authors have discovered a systematic, intelligent and potentially automatic method to detect errors in handbooks and stop their transmission using unrecognised relationships between materials properties. The scientific community relies on the veracity of scientific data in handbooks and databases, some of which have a long pedigree covering several decades. Although various outlier-detection procedures are employed to detect and, where appropriate, remove contaminated data, errors, which had not been discovered by established methods, were easily detected by our artificial neural network in tables of properties of the elements. We started using neural networks to discover unrecognised relationships between materials properties and quickly found that they were very good at finding inconsistencies in groups of data. They reveal variations from 10 to 900% in tables of property data for the elements and point out those that are most probably correct. Compared with the statistical method adopted by Ashby and co-workers [Proc. R. Soc. Lond. Ser. A 454 (1998) p. 1301, 1323], this method locates more inconsistencies and could be embedded in database software for automatic self-checking. We anticipate that our suggestion will be a starting point to deal with this basic problem that affects researchers in every field. The authors believe it may eventually moderate the current expectation that data field error rates will persist at between 1 and 5%.

Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface

NASA Astrophysics Data System (ADS)

Choudhary, Kamal; Congo, Faical Yannick P.; Liang, Tao; Becker, Chandler; Hennig, Richard G.; Tavazza, Francesca

2017-01-01

Classical empirical potentials/force-fields (FF) provide atomistic insights into material phenomena through molecular dynamics and Monte Carlo simulations. Despite their wide applicability, a systematic evaluation of materials properties using such potentials and, especially, an easy-to-use user-interface for their comparison is still lacking. To address this deficiency, we computed energetics and elastic properties of variety of materials such as metals and ceramics using a wide range of empirical potentials and compared them to density functional theory (DFT) as well as to experimental data, where available. The database currently consists of 3248 entries including energetics and elastic property calculations, and it is still increasing. We also include computational tools for convex-hull plots for DFT and FF calculations. The data covers 1471 materials and 116 force-fields. In addition, both the complete database and the software coding used in the process have been released for public use online (presently at http://www.ctcms.nist.gov/˜knc6/periodic.html) in a user-friendly way designed to enable further material design and discovery.

Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface

PubMed Central

Choudhary, Kamal; Congo, Faical Yannick P.; Liang, Tao; Becker, Chandler; Hennig, Richard G.; Tavazza, Francesca

2017-01-01

Classical empirical potentials/force-fields (FF) provide atomistic insights into material phenomena through molecular dynamics and Monte Carlo simulations. Despite their wide applicability, a systematic evaluation of materials properties using such potentials and, especially, an easy-to-use user-interface for their comparison is still lacking. To address this deficiency, we computed energetics and elastic properties of variety of materials such as metals and ceramics using a wide range of empirical potentials and compared them to density functional theory (DFT) as well as to experimental data, where available. The database currently consists of 3248 entries including energetics and elastic property calculations, and it is still increasing. We also include computational tools for convex-hull plots for DFT and FF calculations. The data covers 1471 materials and 116 force-fields. In addition, both the complete database and the software coding used in the process have been released for public use online (presently at http://www.ctcms.nist.gov/∼knc6/periodic.html) in a user-friendly way designed to enable further material design and discovery. PMID:28140407

Constitutive Equations: Plastic and Viscoelastic Properties. (Latest citations from the Aerospace Database)

NASA Technical Reports Server (NTRS)

1997-01-01

The bibliography contains citations concerning analytical techniques using constitutive equations, applied to materials under stress. The properties explored with these techniques include viscoelasticity, thermoelasticity, and plasticity. While many of the references are general as to material type, most refer to specific metals or composites, or to specific shapes, such as flat plate or spherical vessels.

Materials, processes, and environmental engineering network

NASA Technical Reports Server (NTRS)

White, Margo M.

1993-01-01

The Materials, Processes, and Environmental Engineering Network (MPEEN) was developed as a central holding facility for materials testing information generated by the Materials and Processes Laboratory. It contains information from other NASA centers and outside agencies, and also includes the NASA Environmental Information System (NEIS) and Failure Analysis Information System (FAIS) data. Environmental replacement materials information is a newly developed focus of MPEEN. This database is the NASA Environmental Information System, NEIS, which is accessible through MPEEN. Environmental concerns are addressed regarding materials identified by the NASA Operational Environment Team, NOET, to be hazardous to the environment. An environmental replacement technology database is contained within NEIS. Environmental concerns about materials are identified by NOET, and control or replacement strategies are formed. This database also contains the usage and performance characteristics of these hazardous materials. In addition to addressing environmental concerns, MPEEN contains one of the largest materials databases in the world. Over 600 users access this network on a daily basis. There is information available on failure analysis, metals and nonmetals testing, materials properties, standard and commercial parts, foreign alloy cross-reference, Long Duration Exposure Facility (LDEF) data, and Materials and Processes Selection List data.

Morphology and microstructure of composite materials

NASA Technical Reports Server (NTRS)

Tiwari, S. N.; Srinivansan, K.

1991-01-01

Lightweight continuous carbon fiber based polymeric composites are currently enjoying increasing acceptance as structural materials capable of replacing metals and alloys in load bearing applications. As with most new materials, these composites are undergoing trials with several competing processing techniques aimed at cost effectively producing void free consolidations with good mechanical properties. As metallic materials have been in use for several centuries, a considerable database exists on their morphology - microstructure; and the interrelationships between structure and properties have been well documented. Numerous studies on composites have established the crucial relationship between microstructure - morphology and properties. The various microstructural and morphological features of composite materials, particularly those accompanying different processing routes, are documented.

Cybermaterials: materials by design and accelerated insertion of materials

NASA Astrophysics Data System (ADS)

Xiong, Wei; Olson, Gregory B.

2016-02-01

Cybermaterials innovation entails an integration of Materials by Design and accelerated insertion of materials (AIM), which transfers studio ideation into industrial manufacturing. By assembling a hierarchical architecture of integrated computational materials design (ICMD) based on materials genomic fundamental databases, the ICMD mechanistic design models accelerate innovation. We here review progress in the development of linkage models of the process-structure-property-performance paradigm, as well as related design accelerating tools. Extending the materials development capability based on phase-level structural control requires more fundamental investment at the level of the Materials Genome, with focus on improving applicable parametric design models and constructing high-quality databases. Future opportunities in materials genomic research serving both Materials by Design and AIM are addressed.

Risks and reliability of manufacturing processes as related to composite materials for spacecraft structures

NASA Technical Reports Server (NTRS)

Bao, Han P.

1995-01-01

Fabricating primary aircraft and spacecraft structures using advanced composite materials entail both benefits and risks. The benefits come from much improved strength-to-weight ratios and stiffness-to-weight ratios, potential for less part count, ability to tailor properties, chemical and solvent resistance, and superior thermal properties. On the other hand, the risks involved include high material costs, lack of processing experience, expensive labor, poor reproducibility, high toxicity for some composites, and a variety of space induced risks. The purpose of this project is to generate a manufacturing database for a selected number of materials with potential for space applications, and to rely on this database to develop quantitative approaches to screen candidate materials and processes for space applications on the basis of their manufacturing risks including costs. So far, the following materials have been included in the database: epoxies, polycyanates, bismalemides, PMR-15, polyphenylene sulfides, polyetherimides, polyetheretherketone, and aluminum lithium. The first four materials are thermoset composites; the next three are thermoplastic composites, and the last one is is a metal. The emphasis of this database is on factors affecting manufacturing such as cost of raw material, handling aspects which include working life and shelf life of resins, process temperature, chemical/solvent resistance, moisture resistance, damage tolerance, toxicity, outgassing, thermal cycling, and void content, nature or type of process, associate tooling, and in-process quality assurance. Based on industry experience and published literature, a relative ranking was established for each of the factors affecting manufacturing as listed above. Potential applications of this database include the determination of a delta cost factor for specific structures with a given process plan and a general methodology to screen materials and processes for incorporation into the current conceptual design optimization of future spacecrafts as being coordinated by the Vehicle Analysis Branch where this research is being conducted.

Universal Fragment Descriptors for Predicting Electronic and Mechanical Properties of Inorganic Crystals

NASA Astrophysics Data System (ADS)

Oses, Corey; Isayev, Olexandr; Toher, Cormac; Curtarolo, Stefano; Tropsha, Alexander

Historically, materials discovery is driven by a laborious trial-and-error process. The growth of materials databases and emerging informatics approaches finally offer the opportunity to transform this practice into data- and knowledge-driven rational design-accelerating discovery of novel materials exhibiting desired properties. By using data from the AFLOW repository for high-throughput, ab-initio calculations, we have generated Quantitative Materials Structure-Property Relationship (QMSPR) models to predict critical materials properties, including the metal/insulator classification, band gap energy, and bulk modulus. The prediction accuracy obtained with these QMSPR models approaches training data for virtually any stoichiometric inorganic crystalline material. We attribute the success and universality of these models to the construction of new materials descriptors-referred to as the universal Property-Labeled Material Fragments (PLMF). This representation affords straightforward model interpretation in terms of simple heuristic design rules that could guide rational materials design. This proof-of-concept study demonstrates the power of materials informatics to dramatically accelerate the search for new materials.

Application of the Materials-by-Design Methodology to Redesign a New Grade of the High-Strength Low-Alloy Class of Steels with Improved Mechanical Properties and Processability

NASA Astrophysics Data System (ADS)

Grujicic, M.; Snipes, J. S.; Ramaswami, S.

2016-01-01

An alternative to the traditional trial-and-error empirical approach for the development of new materials is the so-called materials-by-design approach. Within the latter approach, a material is treated as a complex system and its design and optimization is carried out by employing computer-aided engineering analyses, predictive tools, and available material databases. In the present work, the materials-by-design approach is utilized to redesign a grade of high-strength low-alloy (HSLA) class of steels with improved mechanical properties (primarily strength and fracture toughness), processability (e.g., castability, hot formability, and weldability), and corrosion resistance. Toward that end, a number of material thermodynamics, kinetics of phase transformations, and physics of deformation and fracture computational models and databases have been developed/assembled and utilized within a multi-disciplinary, two-level material-by-design optimization scheme. To validate the models, their prediction is compared against the experimental results for the related steel HSLA100. Then the optimization procedure is employed to determine the optimal chemical composition and the tempering schedule for a newly designed grade of the HSLA class of steels with enhanced mechanical properties, processability, and corrosion resistance.

Preliminary surficial geologic map database of the Amboy 30 x 60 minute quadrangle, California

USGS Publications Warehouse

Bedford, David R.; Miller, David M.; Phelps, Geoffrey A.

2006-01-01

The surficial geologic map database of the Amboy 30x60 minute quadrangle presents characteristics of surficial materials for an area approximately 5,000 km2 in the eastern Mojave Desert of California. This map consists of new surficial mapping conducted between 2000 and 2005, as well as compilations of previous surficial mapping. Surficial geology units are mapped and described based on depositional process and age categories that reflect the mode of deposition, pedogenic effects occurring post-deposition, and, where appropriate, the lithologic nature of the material. The physical properties recorded in the database focus on those that drive hydrologic, biologic, and physical processes such as particle size distribution (PSD) and bulk density. This version of the database is distributed with point data representing locations of samples for both laboratory determined physical properties and semi-quantitative field-based information. Future publications will include the field and laboratory data as well as maps of distributed physical properties across the landscape tied to physical process models where appropriate. The database is distributed in three parts: documentation, spatial map-based data, and printable map graphics of the database. Documentation includes this file, which provides a discussion of the surficial geology and describes the format and content of the map data, a database 'readme' file, which describes the database contents, and FGDC metadata for the spatial map information. Spatial data are distributed as Arc/Info coverage in ESRI interchange (e00) format, or as tabular data in the form of DBF3-file (.DBF) file formats. Map graphics files are distributed as Postscript and Adobe Portable Document Format (PDF) files, and are appropriate for representing a view of the spatial database at the mapped scale.

Universal fragment descriptors for predicting properties of inorganic crystals

NASA Astrophysics Data System (ADS)

Isayev, Olexandr; Oses, Corey; Toher, Cormac; Gossett, Eric; Curtarolo, Stefano; Tropsha, Alexander

2017-06-01

Although historically materials discovery has been driven by a laborious trial-and-error process, knowledge-driven materials design can now be enabled by the rational combination of Machine Learning methods and materials databases. Here, data from the AFLOW repository for ab initio calculations is combined with Quantitative Materials Structure-Property Relationship models to predict important properties: metal/insulator classification, band gap energy, bulk/shear moduli, Debye temperature and heat capacities. The prediction's accuracy compares well with the quality of the training data for virtually any stoichiometric inorganic crystalline material, reciprocating the available thermomechanical experimental data. The universality of the approach is attributed to the construction of the descriptors: Property-Labelled Materials Fragments. The representations require only minimal structural input allowing straightforward implementations of simple heuristic design rules.

Universal fragment descriptors for predicting properties of inorganic crystals.

PubMed

Isayev, Olexandr; Oses, Corey; Toher, Cormac; Gossett, Eric; Curtarolo, Stefano; Tropsha, Alexander

2017-06-05

Although historically materials discovery has been driven by a laborious trial-and-error process, knowledge-driven materials design can now be enabled by the rational combination of Machine Learning methods and materials databases. Here, data from the AFLOW repository for ab initio calculations is combined with Quantitative Materials Structure-Property Relationship models to predict important properties: metal/insulator classification, band gap energy, bulk/shear moduli, Debye temperature and heat capacities. The prediction's accuracy compares well with the quality of the training data for virtually any stoichiometric inorganic crystalline material, reciprocating the available thermomechanical experimental data. The universality of the approach is attributed to the construction of the descriptors: Property-Labelled Materials Fragments. The representations require only minimal structural input allowing straightforward implementations of simple heuristic design rules.

INFOMAT: The international materials assessment and application centre's internet gateway

NASA Astrophysics Data System (ADS)

Branquinho, Carmen Lucia; Colodete, Leandro Tavares

2004-08-01

INFOMAT is an electronic directory structured to facilitate the search and retrieval of materials science and technology information sources. Linked to the homepage of the International Materials Assessment and Application Centre, INFOMAT presents descriptions of 392 proprietary databases with links to their host systems as well as direct links to over 180 public domain databases and over 2,400 web sites. Among the web sites are associations/unions, governmental and non-governmental institutions, industries, library holdings, market statistics, news services, on-line publications, standardization and intellectual property organizations, and universities/research groups.

Establishment of computerized numerical databases on thermophysical and other properties of molten as well as solid materials and data evaluation and validation for generating recommended reliable reference data

NASA Technical Reports Server (NTRS)

Ho, C. Y.

1993-01-01

The Center for Information and Numerical Data Analysis and Synthesis, (CINDAS), measures and maintains databases on thermophysical, thermoradiative, mechanical, optical, electronic, ablation, and physical properties of materials. Emphasis is on aerospace structural materials especially composites and on infrared detector/sensor materials. Within CINDAS, the Department of Defense sponsors at Purdue several centers: the High Temperature Material Information Analysis Center (HTMIAC), the Ceramics Information Analysis Center (CIAC) and the Metals Information Analysis Center (MIAC). The responsibilities of CINDAS are extremely broad encompassing basic and applied research, measurement of the properties of thin wires and thin foils as well as bulk materials, acquisition and search of world-wide literature, critical evaluation of data, generation of estimated values to fill data voids, investigation of constitutive, structural, processing, environmental, and rapid heating and loading effects, and dissemination of data. Liquids, gases, molten materials and solids are all considered. The responsibility of maintaining widely used databases includes data evaluation, analysis, correlation, and synthesis. Material property data recorded on the literature are often conflicting, diverging, and subject to large uncertainties. It is admittedly difficult to accurately measure materials properties. Systematic and random errors both enter. Some errors result from lack of characterization of the material itself (impurity effects). In some cases assumed boundary conditions corresponding to a theoretical model are not obtained in the experiments. Stray heat flows and losses must be accounted for. Some experimental methods are inappropriate and in other cases appropriate methods are carried out with poor technique. Conflicts in data may be resolved by curve fitting of the data to theoretical or empirical models or correlation in terms of various affecting parameters. Reasons (e.g. phase transitions) must be found for unusual dependence or any anomaly. Such critical evaluation involves knowledge of theory, experience in measurement, familiarity with metallurgy (microstructural behavior) and not inconsiderable judgment. An examination of typical data compiled and analyzed by CINDAS shows that the thermal conductivity of a material reported in the literature may vary by a factor of two of more; the range of reported values increases as temperature increases reflecting the difficulty of high temperature measurements. Often only estimates of melt behavior are available, despite the importance of melt properties in modeling, welding, or other solidification processes. There may be only a few measurements available for properties such as kinematic viscosity, even for widely used materials such as stainless steel. In the face of such a paucity of existing data and in a national environment where too few new data are being generated it is nonetheless the responsibility of CINDAS to select and disseminate recommended values of a wide variety of thermophysical properties.

Reactor Materials Program - Baseline Material Property Handbook - Mechanical Properties of 1950's Vintage Stainless Steel Weldment Components, Task Number 89-23-A-1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stoner, K.J.

1999-11-05

The Process Water System (primary coolant) piping of the nuclear production reactors constructed in the 1950''s at Savannah River Site is comprised primarily of Type 304 stainless steel with Type 308 stainless steel weld filler. A program to measure the mechanical properties of archival PWS piping and weld materials (having approximately six years of service at temperatures between 25 and 100 degrees C) has been completed. The results from the mechanical testing has been synthesized to provide a mechanical properties database for structural analyses of the SRS piping.

Materials Selection. Resources in Technology.

ERIC Educational Resources Information Center

Technology Teacher, 1991

1991-01-01

This learning activity develops algorithms to ensure that the process of selecting materials is well defined and sound. These procedures require the use of many databases to provide the designer with information such as physical, mechanical, and chemical properties of the materials under consideration. A design brief, student quiz, and five…

Harnessing the Big Data Paradigm for ICME: Shifting from Materials Selection to Materials Enabled Design

NASA Astrophysics Data System (ADS)

Broderick, Scott R.; Santhanam, Ganesh Ram; Rajan, Krishna

2016-08-01

As the size of databases has significantly increased, whether through high throughput computation or through informatics-based modeling, the challenge of selecting the optimal material for specific design requirements has also arisen. Given the multiple, and often conflicting, design requirements, this selection process is not as trivial as sorting the database for a given property value. We suggest that the materials selection process should minimize selector bias, as well as take data uncertainty into account. For this reason, we discuss and apply decision theory for identifying chemical additions to Ni-base alloys. We demonstrate and compare results for both a computational array of chemistries and standard commercial superalloys. We demonstrate how we can use decision theory to select the best chemical additions for enhancing both property and processing, which would not otherwise be easily identifiable. This work is one of the first examples of introducing the mathematical framework of set theory and decision analysis into the domain of the materials selection process.

Monolithic Cu-Cr-Nb Alloys for High Temperature, High Heat Flux Applications

NASA Technical Reports Server (NTRS)

Ellis, David L.; Locci, Ivan E.; Michal, Gary M.; Humphrey, Derek M.

1999-01-01

Work during the prior four years of this grant has resulted in significant advances in the development of Cu-8 Cr4 Nb and related Cu-Cr-Nb alloys. The alloys are nearing commercial use in the Reusable Launch Vehicle (RLV) where they are candidate materials for the thrust cell liners of the aerospike engines being developed by Rocketdyne. During the fifth and final year of the grant, it is proposed to complete development of the design level database of mechanical and thermophysical properties and transfer it to NASA Glenn Research Center and Rocketdyne. The database development work will be divided into three main areas: Thermophysical Database Augmentation, Mechanical Testing and Metallography and Fractography. In addition to the database development, work will continue that is focussed on the production of alternatives to the powder metallurgy alloys currently used. Exploration of alternative alloys will be aimed at both the development of lower cost materials and higher performance materials. A key element of this effort will be the use of Thermo-Calc software to survey the solubility behavior of a wide range of alloying elements in a copper matrix. The ultimate goals would be to define suitable alloy compositions and processing routes to produce thin sheets of the material at either a lower cost, or, with improved mechanical and thermal properties compared to the current Cu-Cr-Nb powder metallurgy alloys.

Analysis of speckle and material properties in laider tracer

NASA Astrophysics Data System (ADS)

Ross, Jacob W.; Rigling, Brian D.; Watson, Edward A.

2017-04-01

The SAL simulation tool Laider Tracer models speckle: the random variation in intensity of an incident light beam across a rough surface. Within Laider Tracer, the speckle field is modeled as a 2-D array of jointly Gaussian random variables projected via ray tracing onto the scene of interest. Originally, all materials in Laider Tracer were treated as ideal diffuse scatterers, for which the far-field return computed uses the Lambertian Bidirectional Reflectance Distribution Function (BRDF). As presented here, we implement material properties into Laider Tracer via the Non-conventional Exploitation Factors Data System: a database of properties for thousands of different materials sampled at various wavelengths and incident angles. We verify the intensity behavior as a function of incident angle after material properties are added to the simulation.

Analysing and Rationalising Molecular and Materials Databases Using Machine-Learning

NASA Astrophysics Data System (ADS)

de, Sandip; Ceriotti, Michele

Computational materials design promises to greatly accelerate the process of discovering new or more performant materials. Several collaborative efforts are contributing to this goal by building databases of structures, containing between thousands and millions of distinct hypothetical compounds, whose properties are computed by high-throughput electronic-structure calculations. The complexity and sheer amount of information has made manual exploration, interpretation and maintenance of these databases a formidable challenge, making it necessary to resort to automatic analysis tools. Here we will demonstrate how, starting from a measure of (dis)similarity between database items built from a combination of local environment descriptors, it is possible to apply hierarchical clustering algorithms, as well as dimensionality reduction methods such as sketchmap, to analyse, classify and interpret trends in molecular and materials databases, as well as to detect inconsistencies and errors. Thanks to the agnostic and flexible nature of the underlying metric, we will show how our framework can be applied transparently to different kinds of systems ranging from organic molecules and oligopeptides to inorganic crystal structures as well as molecular crystals. Funded by National Center for Computational Design and Discovery of Novel Materials (MARVEL) and Swiss National Science Foundation.

Intellectual property analysis of holographic materials business

NASA Astrophysics Data System (ADS)

Reingand, Nadya; Hunt, David

2006-02-01

The paper presents an overview of intellectual property in the field of holographic photosensitive materials and highlights the possibilities offered by patent searching and analysis. Thousands of patent documents relevant to holographic materials have been uncovered by the study. The search was performed in the following databases: U.S. Patent Office, European Patent Office, and Japanese Patent Office for the time frame of 1971 through November 2005. The patent analysis has unveiled trends in patent temporal distribution, leading IP portfolios, companies competition within the holographic materials market and other interesting insights.

Generation of large scale urban environments to support advanced sensor and seeker simulation

NASA Astrophysics Data System (ADS)

Giuliani, Joseph; Hershey, Daniel; McKeown, David, Jr.; Willis, Carla; Van, Tan

2009-05-01

One of the key aspects for the design of a next generation weapon system is the need to operate in cluttered and complex urban environments. Simulation systems rely on accurate representation of these environments and require automated software tools to construct the underlying 3D geometry and associated spectral and material properties that are then formatted for various objective seeker simulation systems. Under an Air Force Small Business Innovative Research (SBIR) contract, we have developed an automated process to generate 3D urban environments with user defined properties. These environments can be composed from a wide variety of source materials, including vector source data, pre-existing 3D models, and digital elevation models, and rapidly organized into a geo-specific visual simulation database. This intermediate representation can be easily inspected in the visible spectrum for content and organization and interactively queried for accuracy. Once the database contains the required contents, it can then be exported into specific synthetic scene generation runtime formats, preserving the relationship between geometry and material properties. To date an exporter for the Irma simulation system developed and maintained by AFRL/Eglin has been created and a second exporter to Real Time Composite Hardbody and Missile Plume (CHAMP) simulation system for real-time use is currently being developed. This process supports significantly more complex target environments than previous approaches to database generation. In this paper we describe the capabilities for content creation for advanced seeker processing algorithms simulation and sensor stimulation, including the overall database compilation process and sample databases produced and exported for the Irma runtime system. We also discuss the addition of object dynamics and viewer dynamics within the visual simulation into the Irma runtime environment.

M4FT-16LL080302052-Update to Thermodynamic Database Development and Sorption Database Integration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zavarin, Mavrik; Wolery, T. J.; Atkins-Duffin, C.

2016-08-16

This progress report (Level 4 Milestone Number M4FT-16LL080302052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite Disposal R&D Work Package Number FT-16LL08030205. The focus of this research is the thermodynamic modeling of Engineered Barrier System (EBS) materials and properties and development of thermodynamic databases and models to evaluate the stability of EBS materials and their interactions with fluids at various physico-chemical conditions relevant to subsurface repository environments. The development and implementation of equilibrium thermodynamic models are intended to describe chemical and physical processes such as solubility, sorption, and diffusion.

Nb-Base FS-85 Alloy as a Candidate Structural Material for Space Reactor Applications: Effects of Thermal Aging

NASA Astrophysics Data System (ADS)

Leonard, Keith J.; Busby, Jeremy T.; Hoelzer, David T.; Zinkle, Steven J.

2009-04-01

The proposed uses of fission reactors for manned or deep space missions have typically relied on the potential use of refractory metal alloys as structural materials. Throughout the history of these programs, a leading candidate has been Nb-1Zr, due to its good fabrication and welding characteristics. However, the less-than-optimal creep resistance of this alloy has encouraged interest in the more complex FS-85 (Nb-28Ta-10W-1Zr) alloy. Despite this interest, only a relatively small database exists for the properties of FS-85. Database gaps include the potential microstructural instabilities that can lead to mechanical property degradation. In this work, changes in the microstructure and mechanical properties of FS-85 were investigated following 1100 hours of thermal aging at 1098, 1248, and 1398 K. The changes in electrical resistivity, hardness, and tensile properties between the as-annealed and aged materials are compared. Evaluation of the microstructural changes was performed through optical microscopy (OM), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The development of intragranular and grain-boundary precipitation of Zr-rich compounds as a function of aging temperature was followed. Brittle tensile behavior was measured in the material aged at 1248 K, while ductile behavior occurred in samples aged above and below this temperature. The effect of temperature on the under- and overaging of the grain-boundary particles is believed to have contributed to the mechanical property behavior of the aged materials.

Review of Surface Properties of Thermal Protection Materials for the Design of IXV Thermal Protection System

NASA Astrophysics Data System (ADS)

Thoemel, J.; Cosson, E.; Chazot, O.

2009-01-01

In the framework of the creation of an aerothermodynamic database for the design the Intermediate Experimental Vehicle, surface properties of heat shield materials that represent the boundary conditions are reviewed. Catalytic and radiative characteristics available in the literature are critically analyzed and summarized. It turns out that large uncertainties on the parameters exist. Finally, simple and conservative values are proposed.

System and methods to determine and monitor changes in microstructural properties

DOEpatents

Turner, Joseph Alan [Lincoln, NE

2011-05-17

A system and methods with which changes in microstructure properties such as grain size, grain elongation, texture, and porosity of materials can be determined and monitored over time to assess conditions such as stress and defects. The present invention includes a database of data, wherein a first set of data is used for comparison with a second set of data to determine the conditions of the material microstructure.

Data-driven discovery of new Dirac semimetal materials

NASA Astrophysics Data System (ADS)

Yan, Qimin; Chen, Ru; Neaton, Jeffrey

In recent years, a significant amount of materials property data from high-throughput computations based on density functional theory (DFT) and the application of database technologies have enabled the rise of data-driven materials discovery. In this work, we initiate the extension of the data-driven materials discovery framework to the realm of topological semimetal materials and to accelerate the discovery of novel Dirac semimetals. We implement current available and develop new workflows to data-mine the Materials Project database for novel Dirac semimetals with desirable band structures and symmetry protected topological properties. This data-driven effort relies on the successful development of several automatic data generation and analysis tools, including a workflow for the automatic identification of topological invariants and pattern recognition techniques to find specific features in a massive number of computed band structures. Utilizing this approach, we successfully identified more than 15 novel Dirac point and Dirac nodal line systems that have not been theoretically predicted or experimentally identified. This work is supported by the Materials Project Predictive Modeling Center through the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC02-05CH11231.

Development of the system of reactor thermophysical data on the basis of ontological modelling

NASA Astrophysics Data System (ADS)

Chusov, I. A.; Kirillov, P. L.; Bogoslovskaya, G. P.; Yunusov, L. K.; Obysov, N. A.; Novikov, G. E.; Pronyaev, V. G.; Erkimbaev, A. O.; Zitserman, V. Yu; Kobzev, G. A.; Trachtengerts, M. S.; Fokin, L. R.

2017-11-01

Compilation and processing of the thermophysical data was always an important task for the nuclear industry. The difficulties of the present stage of this activity are explained by sharp increase of the data volume and the number of new materials, as well as by the increased requirements to the reliability of the data used in the nuclear industry. General trend in the fields with predominantly orientation at the work with data (material science, chemistry and others) consists in the transition to a common infrastructure with integration of separate databases, Web-portals and other resources. This infrastructure provides the interoperability, the procedures of the data exchange, storage and dissemination. Key elements of this infrastructure is a domain-specific ontology, which provides a single information model and dictionary for semantic definitions. Formalizing the subject area, the ontology adapts the definitions for the different database schemes and provides the integration of heterogeneous data. The important property to be inherent for ontologies is a possibility of permanent expanding of new definitions, e.g. list of materials and properties. The expansion of the thermophysical data ontology at the reactor materials includes the creation of taxonomic dictionaries for thermophysical properties; the models for data presentation and their uncertainties; the inclusion along with the parameters of the state, some additional factors, such as the material porosity, the burnup rate, the irradiation rate and others; axiomatics of the properties applicable to the given class of materials.

Virtual Manufacturing Techniques Designed and Applied to Manufacturing Activities in the Manufacturing Integration and Technology Branch

NASA Technical Reports Server (NTRS)

Shearrow, Charles A.

1999-01-01

One of the identified goals of EM3 is to implement virtual manufacturing by the time the year 2000 has ended. To realize this goal of a true virtual manufacturing enterprise the initial development of a machinability database and the infrastructure must be completed. This will consist of the containment of the existing EM-NET problems and developing machine, tooling, and common materials databases. To integrate the virtual manufacturing enterprise with normal day to day operations the development of a parallel virtual manufacturing machinability database, virtual manufacturing database, virtual manufacturing paradigm, implementation/integration procedure, and testable verification models must be constructed. Common and virtual machinability databases will include the four distinct areas of machine tools, available tooling, common machine tool loads, and a materials database. The machine tools database will include the machine envelope, special machine attachments, tooling capacity, location within NASA-JSC or with a contractor, and availability/scheduling. The tooling database will include available standard tooling, custom in-house tooling, tool properties, and availability. The common materials database will include materials thickness ranges, strengths, types, and their availability. The virtual manufacturing databases will consist of virtual machines and virtual tooling directly related to the common and machinability databases. The items to be completed are the design and construction of the machinability databases, virtual manufacturing paradigm for NASA-JSC, implementation timeline, VNC model of one bridge mill and troubleshoot existing software and hardware problems with EN4NET. The final step of this virtual manufacturing project will be to integrate other production sites into the databases bringing JSC's EM3 into a position of becoming a clearing house for NASA's digital manufacturing needs creating a true virtual manufacturing enterprise.

Constitutive Equations: Plastic and Viscoelastic Properties. (Latest Citations from the Aerospace Database)

NASA Technical Reports Server (NTRS)

1996-01-01

The bibliography contains citations concerning analytical techniques using constitutive equations, applied to materials under stress. The properties explored with these techniques include viscoelasticity, thermoelasticity, and plasticity. While many of the references are general as to material type, most refer to specific metals or composites, or to specific shapes, such as flat plate or spherical vessels. (Contains 50-250 citations and includes a subject term index and title list.)

Directionally Solidified Eutectic Ceramics for Multifunctional Aerospace Applications

DTIC Science & Technology

2013-01-01

eutectic materials development through a new initiative entitled Boride Eutectic Project. These results first time organize and populate materials...property databases, and utilize an iterative feedback routine to constantly improve the design process of the boride eutectics LaB6-MeB2 (Me = Zr, Hf, Ti

The VLab repository of thermodynamics and thermoelastic properties of minerals

NASA Astrophysics Data System (ADS)

Da Silveira, P. R.; Sarkar, K.; Wentzcovitch, R. M.; Shukla, G.; Lindemann, W.; Wu, Z.

2015-12-01

Thermodynamics and thermoelastic properties of minerals at planetary interior conditions are essential as input for geodynamics simulations and for interpretation of seismic tomography models. Precise experimental determination of these properties at such extreme conditions is very challenging. Therefore, ab initio calculations play an essential role in this context, but at the cost of great computational effort and memory use. Setting up a widely accessible and versatile mineral physics database can relax unnecessary repetition of such computationally intensive calculations. Access to such data facilitates transactional interaction across fields and can advance more quickly insights about deep Earth processes. Hosted by the Minnesota Supercomputing Institute, the Virtual Laboratory for Earth and Planetary Materials (VLab) was designed to develop and promote the theory of planetary materials using distributed, high-throughput quantum calculations. VLab hosts an interactive database of thermodynamics and thermoelastic properties or minerals computed by ab initio. Such properties can be obtained according to user's preference. The database is accompanied by interactive visualization tools, allowing users to repeat and build upon previously published results. Using VLab2015, we have evaluated thermoelastic properties, such as elastic coefficients (Cij), Voigt, Reuss, and Voigt-Reuss-Hill aggregate averages for bulk (K) and shear modulus (G), shear wave velocity (VS), longitudinal wave velocity (Vp), and bulk sound velocity (V0) for several important minerals. Developed web services are general and can be used for crystals of any symmetry. Results can be tabulated, plotted, or downloaded from the VLab website according to user's preference.

Computational prediction of new auxetic materials

DOE PAGES

Dagdelen, John; Montoya, Joseph; de Jong, Maarten; ...

2017-08-22

Auxetics comprise a rare family of materials that manifest negative Poisson’s ratio, which causes an expansion instead of contraction under tension. Most known homogeneously auxetic materials are porous foams or artificial macrostructures and there are few examples of inorganic materials that exhibit this behavior as polycrystalline solids. It is now possible to accelerate the discovery of materials with target properties, such as auxetics, using high-throughput computations, open databases, and efficient search algorithms. Candidates exhibiting features correlating with auxetic behavior were chosen from the set of more than 67 000 materials in the Materials Project database. Poisson’s ratios were derived frommore » the calculated elastic tensor of each material in this reduced set of compounds. We report that this strategy results in the prediction of three previously unidentified homogeneously auxetic materials as well as a number of compounds with a near-zero homogeneous Poisson’s ratio, which are here denoted “anepirretic materials”.« less

Materials And Processes Technical Information System (MAPTIS) LDEF materials database

NASA Technical Reports Server (NTRS)

Davis, John M.; Strickland, John W.

1992-01-01

The Materials and Processes Technical Information System (MAPTIS) is a collection of materials data which was computerized and is available to engineers in the aerospace community involved in the design and development of spacecraft and related hardware. Consisting of various database segments, MAPTIS provides the user with information such as material properties, test data derived from tests specifically conducted for qualification of materials for use in space, verification and control, project management, material information, and various administrative requirements. A recent addition to the project management segment consists of materials data derived from the LDEF flight. This tremendous quantity of data consists of both pre-flight and post-flight data in such diverse areas as optical/thermal, mechanical and electrical properties, atomic concentration surface analysis data, as well as general data such as sample placement on the satellite, A-O flux, equivalent sun hours, etc. Each data point is referenced to the primary investigator(s) and the published paper from which the data was taken. The MAPTIS system is envisioned to become the central location for all LDEF materials data. This paper consists of multiple parts, comprising a general overview of the MAPTIS System and the types of data contained within, and the specific LDEF data element and the data contained in that segment.

Full space device optimization for solar cells.

PubMed

Baloch, Ahmer A B; Aly, Shahzada P; Hossain, Mohammad I; El-Mellouhi, Fedwa; Tabet, Nouar; Alharbi, Fahhad H

2017-09-20

Advances in computational materials have paved a way to design efficient solar cells by identifying the optimal properties of the device layers. Conventionally, the device optimization has been governed by single or double descriptors for an individual layer; mostly the absorbing layer. However, the performance of the device depends collectively on all the properties of the material and the geometry of each layer in the cell. To address this issue of multi-property optimization and to avoid the paradigm of reoccurring materials in the solar cell field, a full space material-independent optimization approach is developed and presented in this paper. The method is employed to obtain an optimized material data set for maximum efficiency and for targeted functionality for each layer. To ensure the robustness of the method, two cases are studied; namely perovskite solar cells device optimization and cadmium-free CIGS solar cell. The implementation determines the desirable optoelectronic properties of transport mediums and contacts that can maximize the efficiency for both cases. The resulted data sets of material properties can be matched with those in materials databases or by further microscopic material design. Moreover, the presented multi-property optimization framework can be extended to design any solid-state device.

Towards the design of novel cuprate-based superconductors

NASA Astrophysics Data System (ADS)

Yee, Chuck-Hou

The rapid maturation of materials databases combined with recent development of theories seeking to quantitatively link chemical properties to superconductivity in the cuprates provide the context to design novel superconductors. In this talk, we describe a framework designed to search for new superconductors, which combines chemical rules-of-thumb, insights of transition temperatures from dynamical mean-field theory, first-principles electronic structure tools, materials databases and structure prediction via evolutionary algorithms. We apply the framework to design a family of copper oxysulfides and evaluate the prospects of superconductivity.

Assessment of Technologies for the Space Shuttle External Tank Thermal Protection System and Recommendations for Technology Improvement - Part III: Material Property Characterization, Analysis, and Test Methods

NASA Technical Reports Server (NTRS)

Gates, Thomas S.; Johnson, Theodore F.; Whitley, Karen S.

2005-01-01

The objective of this report is to contribute to the independent assessment of the Space Shuttle External Tank Foam Material. This report specifically addresses material modeling, characterization testing, data reduction methods, and data pedigree. A brief description of the External Tank foam materials, locations, and standard failure modes is provided to develop suitable background information. A review of mechanics based analysis methods from the open literature is used to provide an assessment of the state-of-the-art in material modeling of closed cell foams. Further, this report assesses the existing material property database and investigates sources of material property variability. The report presents identified deficiencies in testing methods and procedures, recommendations for additional testing as required, identification of near-term improvements that should be pursued, and long-term capabilities or enhancements that should be developed.

The Structural Ceramics Database: Technical Foundations

PubMed Central

Munro, R. G.; Hwang, F. Y.; Hubbard, C. R.

1989-01-01

The development of a computerized database on advanced structural ceramics can play a critical role in fostering the widespread use of ceramics in industry and in advanced technologies. A computerized database may be the most effective means of accelerating technology development by enabling new materials to be incorporated into designs far more rapidly than would have been possible with traditional information transfer processes. Faster, more efficient access to critical data is the basis for creating this technological advantage. Further, a computerized database provides the means for a more consistent treatment of data, greater quality control and product reliability, and improved continuity of research and development programs. A preliminary system has been completed as phase one of an ongoing program to establish the Structural Ceramics Database system. The system is designed to be used on personal computers. Developed in a modular design, the preliminary system is focused on the thermal properties of monolithic ceramics. The initial modules consist of materials specification, thermal expansion, thermal conductivity, thermal diffusivity, specific heat, thermal shock resistance, and a bibliography of data references. Query and output programs also have been developed for use with these modules. The latter program elements, along with the database modules, will be subjected to several stages of testing and refinement in the second phase of this effort. The goal of the refinement process will be the establishment of this system as a user-friendly prototype. Three primary considerations provide the guidelines to the system’s development: (1) The user’s needs; (2) The nature of materials properties; and (3) The requirements of the programming language. The present report discusses the manner and rationale by which each of these considerations leads to specific features in the design of the system. PMID:28053397

Materials Research for High Speed Civil Transport and Generic Hypersonics-Metals Durability

NASA Technical Reports Server (NTRS)

Schulz, Paul; Hoffman, Daniel

1996-01-01

This report covers a portion of an ongoing investigation of the durability of titanium alloys for the High Speed Civil Transport (HSCT). Candidate alloys need to possess an acceptable combination of properties including strength and toughness as well as fatigue and corrosion resistance when subjected to the HSCT operational environment. These materials must also be capable of being processed into required product forms while maintaining their properties. Processing operations being considered for this airplane include forming, welding, adhesive bonding, and superplastic forming with or without diffusion bonding. This program was designed to develop the material properties database required to lower the risk of using advanced titanium alloys on the HSCT.

Assessing local structure motifs using order parameters for motif recognition, interstitial identification, and diffusion path characterization

NASA Astrophysics Data System (ADS)

Zimmermann, Nils E. R.; Horton, Matthew K.; Jain, Anubhav; Haranczyk, Maciej

2017-11-01

Structure-property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells) of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal closed packed-like environments. Here, we showcase the usefulness of local order parameters to identify these basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP) database (61,422 compounds) for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT) facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO2-spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.

Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization

DOE PAGES

Zimmermann, Nils E. R.; Horton, Matthew K.; Jain, Anubhav; ...

2017-11-13

Structure–property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors, as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells) of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal close packed-like environments. Here, we showcase the usefulness of local order parameters to identify thesemore » basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP) database (61,422 compounds) for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT) facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO 2-spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.« less

Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zimmermann, Nils E. R.; Horton, Matthew K.; Jain, Anubhav

Structure–property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors, as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells) of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal close packed-like environments. Here, we showcase the usefulness of local order parameters to identify thesemore » basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP) database (61,422 compounds) for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT) facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO 2-spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.« less

Theoretical calculating the thermodynamic properties of solid sorbents for CO{sub 2} capture applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duan, Yuhua

2012-11-02

Since current technologies for capturing CO{sub 2} to fight global climate change are still too energy intensive, there is a critical need for development of new materials that can capture CO{sub 2} reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO{sub 2} capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO{sub 2} sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculatedmore » thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO{sub 2} adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO{sub 2} capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. Only those selected CO{sub 2} sorbent candidates were further considered for experimental validations. The ab initio thermodynamic technique has the advantage of identifying thermodynamic properties of CO{sub 2} capture reactions without any experimental input beyond crystallographic structural information of the solid phases involved. Such methodology not only can be used to search for good candidates from existing database of solid materials, but also can provide some guidelines for synthesis new materials. In this presentation, we first introduce our screening methodology and the results on a testing set of solids with known thermodynamic properties to validate our methodology. Then, by applying our computational method to several different kinds of solid systems, we demonstrate that our methodology can predict the useful information to help developing CO{sub 2} capture Technologies.« less

High-throughput determination of structural phase diagram and constituent phases using GRENDEL

NASA Astrophysics Data System (ADS)

Kusne, A. G.; Keller, D.; Anderson, A.; Zaban, A.; Takeuchi, I.

2015-11-01

Advances in high-throughput materials fabrication and characterization techniques have resulted in faster rates of data collection and rapidly growing volumes of experimental data. To convert this mass of information into actionable knowledge of material process-structure-property relationships requires high-throughput data analysis techniques. This work explores the use of the Graph-based endmember extraction and labeling (GRENDEL) algorithm as a high-throughput method for analyzing structural data from combinatorial libraries, specifically, to determine phase diagrams and constituent phases from both x-ray diffraction and Raman spectral data. The GRENDEL algorithm utilizes a set of physical constraints to optimize results and provides a framework by which additional physics-based constraints can be easily incorporated. GRENDEL also permits the integration of database data as shown by the use of critically evaluated data from the Inorganic Crystal Structure Database in the x-ray diffraction data analysis. Also the Sunburst radial tree map is demonstrated as a tool to visualize material structure-property relationships found through graph based analysis.

Large scale simulations of the mechanical properties of layered transition metal ternary compounds for fossil energy power system applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ching, Wai-Yim

2014-12-31

Advanced materials with applications in extreme conditions such as high temperature, high pressure, and corrosive environments play a critical role in the development of new technologies to significantly improve the performance of different types of power plants. Materials that are currently employed in fossil energy conversion systems are typically the Ni-based alloys and stainless steels that have already reached their ultimate performance limits. Incremental improvements are unlikely to meet the more stringent requirements aimed at increased efficiency and reduce risks while addressing environmental concerns and keeping costs low. Computational studies can lead the way in the search for novel materialsmore » or for significant improvements in existing materials that can meet such requirements. Detailed computational studies with sufficient predictive power can provide an atomistic level understanding of the key characteristics that lead to desirable properties. This project focuses on the comprehensive study of a new class of materials called MAX phases, or Mn+1AXn (M = a transition metal, A = Al or other group III, IV, and V elements, X = C or N). The MAX phases are layered transition metal carbides or nitrides with a rare combination of metallic and ceramic properties. Due to their unique structural arrangements and special types of bonding, these thermodynamically stable alloys possess some of the most outstanding properties. We used a genomic approach in screening a large number of potential MAX phases and established a database for 665 viable MAX compounds on the structure, mechanical and electronic properties and investigated the correlations between them. This database if then used as a tool for materials informatics for further exploration of this class of intermetallic compounds.« less

Novel tools for accelerated materials discovery in the AFLOWLIB.ORG repository: breakthroughs and challenges in the mapping of the materials genome

NASA Astrophysics Data System (ADS)

Buongiorno Nardelli, Marco

2015-03-01

High-Throughput Quantum-Mechanics computation of materials properties by ab initio methods has become the foundation of an effective approach to materials design, discovery and characterization. This data driven approach to materials science currently presents the most promising path to the development of advanced technological materials that could solve or mitigate important social and economic challenges of the 21st century. In particular, the rapid proliferation of computational data on materials properties presents the possibility to complement and extend materials property databases where the experimental data is lacking and difficult to obtain. Enhanced repositories such as AFLOWLIB, open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various properties. The practical realization of these opportunities depends on the the design effcient algorithms for electronic structure simulations of realistic material systems, the systematic compilation and classification of the generated data, and its presentation in easily accessed form to the materials science community, the primary mission of the AFLOW consortium. This work was supported by ONR-MURI under Contract N00014-13-1-0635 and the Duke University Center for Materials Genomics.

Development of a material property database on selected ceramic matrix composite materials

NASA Technical Reports Server (NTRS)

Mahanta, Kamala

1996-01-01

Ceramic Matrix Composites, with fiber/whisker/particulate reinforcement, possess the attractive properties of ceramics such as high melting temperature, high strength and stiffness at high temperature, low density, excellent environmental resistance, combined with improved toughness and mechanical reliability. These unique properties have made these composites an enabling technology for thermomechanically demanding applications in high temperature, high stress and aggressive environments. On a broader scale, CMC's are anticipated to be applicable in aircraft propulsion, space propulsion, power and structures, in addition to ground based applications. However, it is also true that for any serious commitment of the material toward any of the intended critical thermo-mechanical applications to materialize, vigorous research has to be conducted for a thorough understanding of the mechanical and thermal behavior of CMC's. The high technology of CMC'S is far from being mature. In view of this growing need for CMC data, researchers all over the world have found themselves drawn into the characterization of CMC's such as C/SiC, SiC/SiC, SiC/Al203, SiC/Glass, SiC/C, SiC/Blackglas. A significant amount of data has been generated by the industries, national laboratories and educational institutions in the United States of America. NASA/Marshall Space Flight Center intends to collect the 'pedigreed' CMC data and store those in a CMC database within MAPTIS (Materials and Processes Technical Information System). The task of compilation of the CMC database is a monumental one and requires efforts in various directions. The project started in the form of a summer faculty fellowship in 1994 and has spilled into the months that followed and into the summer faculty fellowship of 1995 and has the prospect of continuing into the future for a healthy growth, which of course depends to a large extent on how fast CMC data are generated. The 10-week long summer fellowship has concentrated, basically, on establishing the procedure for a smooth transfer of data into a CMC database on MAPTIS which is a vital part of the following broader picture of the project.

Computational Modeling of Mixed Solids for CO2 CaptureSorbents

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duan, Yuhua

2015-01-01

Since current technologies for capturing CO2 to fight global climate change are still too energy intensive, there is a critical need for development of new materials that can capture CO2 reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO2 capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO2 sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculated thermodynamic properties of differentmore » classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO2 adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO2 capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. Only those selected CO2 sorbent candidates were further considered for experimental validations. The ab initio thermodynamic technique has the advantage of identifying thermodynamic properties of CO2 capture reactions without any experimental input beyond crystallographic structural information of the solid phases involved. Such methodology not only can be used to search for good candidates from existing database of solid materials, but also can provide some guidelines for synthesis new materials. In this presentation, we apply our screening methodology to mixing solid systems to adjust the turnover temperature to help on developing CO2 capture Technologies.« less

High-throughput density-functional perturbation theory phonons for inorganic materials

NASA Astrophysics Data System (ADS)

Petretto, Guido; Dwaraknath, Shyam; P. C. Miranda, Henrique; Winston, Donald; Giantomassi, Matteo; van Setten, Michiel J.; Gonze, Xavier; Persson, Kristin A.; Hautier, Geoffroy; Rignanese, Gian-Marco

2018-05-01

The knowledge of the vibrational properties of a material is of key importance to understand physical phenomena such as thermal conductivity, superconductivity, and ferroelectricity among others. However, detailed experimental phonon spectra are available only for a limited number of materials, which hinders the large-scale analysis of vibrational properties and their derived quantities. In this work, we perform ab initio calculations of the full phonon dispersion and vibrational density of states for 1521 semiconductor compounds in the harmonic approximation based on density functional perturbation theory. The data is collected along with derived dielectric and thermodynamic properties. We present the procedure used to obtain the results, the details of the provided database and a validation based on the comparison with experimental data.

Surficial geologic map of the Amboy 30' x 60' quadrangle, San Bernardino County, California

USGS Publications Warehouse

Bedford, David R.; Miller, David M.; Phelps, Geoffrey A.

2010-01-01

The surficial geologic map of the Amboy 30' x 60' quadrangle presents characteristics of surficial materials for an area of approximately 5,000 km2 in the eastern Mojave Desert of southern California. This map consists of new surficial mapping conducted between 2000 and 2007, as well as compilations from previous surficial mapping. Surficial geologic units are mapped and described based on depositional process and age categories that reflect the mode of deposition, pedogenic effects following deposition, and, where appropriate, the lithologic nature of the material. Many physical properties were noted and measured during the geologic mapping. This information was used to classify surficial deposits and to understand their ecological importance. We focus on physical properties that drive hydrologic, biologic, and physical processes such as particle-size distribution (PSD) and bulk density. The database contains point data representing locations of samples for both laboratory determined physical properties and semiquantitative field-based information in the database. We include the locations of all field observations and note the type of information collected in the field to help assist in assessing the quality of the mapping. The publication is separated into three parts: documentation, spatial data, and printable map graphics of the database. Documentation includes this pamphlet, which provides a discussion of the surficial geology and units and the map. Spatial data are distributed as ArcGIS Geodatabase in Microsoft Access format and are accompanied by a readme file, which describes the database contents, and FGDC metadata for the spatial map information. Map graphics files are distributed as Postscript and Adobe Portable Document Format (PDF) files that provide a view of the spatial database at the mapped scale.

(BARS) -- Bibliographic Retrieval System Sandia Shock Compression (SSC) database Shock Physics Index (SPHINX) database. Volume 1: UNIX version query guide customized application for INGRES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herrmann, W.; von Laven, G.M.; Parker, T.

1993-09-01

The Bibliographic Retrieval System (BARS) is a data base management system specially designed to retrieve bibliographic references. Two databases are available, (i) the Sandia Shock Compression (SSC) database which contains over 5700 references to the literature related to stress waves in solids and their applications, and (ii) the Shock Physics Index (SPHINX) which includes over 8000 further references to stress waves in solids, material properties at intermediate and low rates, ballistic and hypervelocity impact, and explosive or shock fabrication methods. There is some overlap in the information in the two data bases.

Database for Safety-Oriented Tracking of Chemicals

NASA Technical Reports Server (NTRS)

Stump, Jacob; Carr, Sandra; Plumlee, Debrah; Slater, Andy; Samson, Thomas M.; Holowaty, Toby L.; Skeete, Darren; Haenz, Mary Alice; Hershman, Scot; Raviprakash, Pushpa

2010-01-01

SafetyChem is a computer program that maintains a relational database for tracking chemicals and associated hazards at Johnson Space Center (JSC) by use of a Web-based graphical user interface. The SafetyChem database is accessible to authorized users via a JSC intranet. All new chemicals pass through a safety office, where information on hazards, required personal protective equipment (PPE), fire-protection warnings, and target organ effects (TOEs) is extracted from material safety data sheets (MSDSs) and recorded in the database. The database facilitates real-time management of inventory with attention to such issues as stability, shelf life, reduction of waste through transfer of unused chemicals to laboratories that need them, quantification of chemical wastes, and identification of chemicals for which disposal is required. Upon searching the database for a chemical, the user receives information on physical properties of the chemical, hazard warnings, required PPE, a link to the MSDS, and references to the applicable International Standards Organization (ISO) 9000 standard work instructions and the applicable job hazard analysis. Also, to reduce the labor hours needed to comply with reporting requirements of the Occupational Safety and Health Administration, the data can be directly exported into the JSC hazardous- materials database.

Pictorial materials database: 1200 combinations of pigments, dyes, binders and varnishes designed as a tool for heritage science and conservation

NASA Astrophysics Data System (ADS)

Cavaleri, Tiziana; Buscaglia, Paola; Migliorini, Simonetta; Nervo, Marco; Piccablotto, Gabriele; Piccirillo, Anna; Pisani, Marco; Puglisi, Davide; Vaudan, Dario; Zucco, Massimo

2017-06-01

The conservation of artworks requires a profound knowledge about pictorial materials, their chemical and physical properties and their interaction and/or degradation processes. For this reason, pictorial materials databases are widely used to study and investigate cultural heritage. At Centre for Conservation and Restoration La Venaria Reale, we prepared a set of about 1200 mock-ups with 173 different pigments and/or dyes, used across all the historical times or as products for conservation, four binders, two varnishes and four different materials for underdrawings. In collaboration with the Laboratorio Analisi Scientifiche of Regione Autonoma Valle d'Aosta, the National Institute of Metrological Research and the Department of Architecture and Design of the Polytechnic of Turin, we created a scientific database that is now available online (http://www.centrorestaurovenaria.it/en/areas/diagnostic/pictorial-materials-database) designed as a tool for heritage science and conservation. Here, we present a focus on materials for pictorial retouching where the hyperspectral imaging application, conducted with a prototype of new technology, allowed to provide a list of pigments that could be more suitable for conservation treatments and pictorial retouching. Then we present the case study of the industrial painting Notte Barbara (1962) by Pinot Gallizio where the use of the database including modern and contemporary art materials showed to be very useful and where the fibre optics reflectance spectroscopy technique was decisive for pigment identification purpose. Later in this research, the mock-ups will be exploited to study degradation processes, e.g., the lightfastness, or the possible formation of interaction products, e.g., metal carboxylates.

The Mendeleev-Meyer force project.

PubMed

Santos, Sergio; Lai, Chia-Yun; Amadei, Carlo A; Gadelrab, Karim R; Tang, Tzu-Chieh; Verdaguer, Albert; Barcons, Victor; Font, Josep; Colchero, Jaime; Chiesa, Matteo

2016-10-14

Here we present the Mendeleev-Meyer Force Project which aims at tabulating all materials and substances in a fashion similar to the periodic table. The goal is to group and tabulate substances using nanoscale force footprints rather than atomic number or electronic configuration as in the periodic table. The process is divided into: (1) acquiring nanoscale force data from materials, (2) parameterizing the raw data into standardized input features to generate a library, (3) feeding the standardized library into an algorithm to generate, enhance or exploit a model to identify a material or property. We propose producing databases mimicking the Materials Genome Initiative, the Medical Literature Analysis and Retrieval System Online (MEDLARS) or the PRoteomics IDEntifications database (PRIDE) and making these searchable online via search engines mimicking Pubmed or the PRIDE web interface. A prototype exploiting deep learning algorithms, i.e. multilayer neural networks, is presented.

Guidelines for Developing and Inserting Material Properties into the Code 65 Composite Material Database

DTIC Science & Technology

2011-12-01

kind of base fiber used Fab-ric uni, stitched, weave, woven roving, textile form, tape, prepreg Laminate Schedu le [0]10 [0]14 [0]36 Manufacturing...roving, textile form, tape, prepreg Laminate Schedule [0]10 [0]14 [0]36 Manufacturing Date 2006 Test Facility/Date 2007 Program of Record AHM&ST...9 Laminate Schedule .......................................................................................................10 Cure

Geotechnical Materials Database for Embankment Design and Construction

DOT National Transportation Integrated Search

2011-12-01

This project was focused on the assimilation of engineering properties of borrow soils across the state of : South Carolina. Extensive data on soils used for embankment construction were evaluated and compared : within Group A (Piedmont) and Group B ...

Intellectual Property Materials Online/CD-ROM: What and Where.

ERIC Educational Resources Information Center

Thompson, N. J.

1992-01-01

This comprehensive review of databanks and CD-ROMs worldwide dealing with patents, trademarks, trade names, copyrights, and related legal opinions includes comments on database coverage and search features. Comparison tables of vendors' products are provided. (22 references) (EA)

Tensile Properties of Polymeric Matrix Composites Subjected to Cryogenic Environments

NASA Technical Reports Server (NTRS)

Whitley, Karen S.; Gates, Thomas S.

2004-01-01

Polymer matrix composites (PMC s) have seen limited use as structural materials in cryogenic environments. One reason for the limited use of PMC s in cryogenic structures is a design philosophy that typically requires a large, validated database of material properties in order to ensure a reliable and defect free structure. It is the intent of this paper to provide an initial set of mechanical properties developed from experimental data of an advanced PMC (IM7/PETI-5) exposed to cryogenic temperatures and mechanical loading. The application of this data is to assist in the materials down-select and design of cryogenic fuel tanks for future reusable space vehicles. The details of the material system, test program, and experimental methods will be outlined. Tension modulus and strength were measured at room temperature, -196 C, and -269 C on five different laminates. These properties were also tested after aging at -186 C with and without loading applied. Microcracking was observed in one laminate.

NIST Gas Hydrate Research Database and Web Dissemination Channel.

PubMed

Kroenlein, K; Muzny, C D; Kazakov, A; Diky, V V; Chirico, R D; Frenkel, M; Sloan, E D

2010-01-01

To facilitate advances in application of technologies pertaining to gas hydrates, a freely available data resource containing experimentally derived information about those materials was developed. This work was performed by the Thermodynamic Research Center (TRC) paralleling a highly successful database of thermodynamic and transport properties of molecular pure compounds and their mixtures. Population of the gas-hydrates database required development of guided data capture (GDC) software designed to convert experimental data and metadata into a well organized electronic format, as well as a relational database schema to accommodate all types of numerical and metadata within the scope of the project. To guarantee utility for the broad gas hydrate research community, TRC worked closely with the Committee on Data for Science and Technology (CODATA) task group for Data on Natural Gas Hydrates, an international data sharing effort, in developing a gas hydrate markup language (GHML). The fruits of these efforts are disseminated through the NIST Sandard Reference Data Program [1] as the Clathrate Hydrate Physical Property Database (SRD #156). A web-based interface for this database, as well as scientific results from the Mallik 2002 Gas Hydrate Production Research Well Program [2], is deployed at http://gashydrates.nist.gov.

Database for the geologic map of the Mount Baker 30- by 60-minute quadrangle, Washington (I-2660)

USGS Publications Warehouse

Tabor, R.W.; Haugerud, R.A.; Hildreth, Wes; Brown, E.H.

2006-01-01

This digital map database has been prepared by R.W. Tabor from the published Geologic map of the Mount Baker 30- by 60-Minute Quadrangle, Washington. Together with the accompanying text files as PDF, it provides information on the geologic structure and stratigraphy of the area covered. The database delineates map units that are identified by general age and lithology following the stratigraphic nomenclature of the U.S. Geological Survey. The authors mapped most of the geology at 1:100,000. The Quaternary contacts and structural data have been much simplified for the 1:100,000-scale map and database. The spatial resolution (scale) of the database is 1:100,000 or smaller. This database depicts the distribution of geologic materials and structures at a regional (1:100,000) scale. The report is intended to provide geologic information for the regional study of materials properties, earthquake shaking, landslide potential, mineral hazards, seismic velocity, and earthquake faults. In addition, the report contains information and interpretations about the regional geologic history and framework. However, the regional scale of this report does not provide sufficient detail for site development purposes.

Database for the geologic map of the Chelan 30-minute by 60-minute quadrangle, Washington (I-1661)

USGS Publications Warehouse

Tabor, R.W.; Frizzell, V.A.; Whetten, J.T.; Waitt, R.B.; Swanson, D.A.; Byerly, G.R.; Booth, D.B.; Hetherington, M.J.; Zartman, R.E.

2006-01-01

This digital map database has been prepared by R. W. Tabor from the published Geologic map of the Chelan 30-Minute Quadrangle, Washington. Together with the accompanying text files as PDF, it provides information on the geologic structure and stratigraphy of the area covered. The database delineates map units that are identified by general age and lithology following the stratigraphic nomenclature of the U.S. Geological Survey. The authors mapped most of the bedrock geology at 1:100,000 scale, but compiled Quaternary units at 1:24,000 scale. The Quaternary contacts and structural data have been much simplified for the 1:100,000-scale map and database. The spatial resolution (scale) of the database is 1:100,000 or smaller. This database depicts the distribution of geologic materials and structures at a regional (1:100,000) scale. The report is intended to provide geologic information for the regional study of materials properties, earthquake shaking, landslide potential, mineral hazards, seismic velocity, and earthquake faults. In addition, the report contains information and interpretations about the regional geologic history and framework. However, the regional scale of this report does not provide sufficient detail for site development purposes.

Database for the geologic map of the Snoqualmie Pass 30-minute by 60-minute quadrangle, Washington (I-2538)

USGS Publications Warehouse

Tabor, R.W.; Frizzell, V.A.; Booth, D.B.; Waitt, R.B.

2006-01-01

This digital map database has been prepared by R.W. Tabor from the published Geologic map of the Snoqualmie Pass 30' X 60' Quadrangle, Washington. Together with the accompanying text files as PDF, it provides information on the geologic structure and stratigraphy of the area covered. The database delineates map units that are identified by general age and lithology following the stratigraphic nomenclature of the U.S. Geological Survey. The authors mapped most of the bedrock geology at 1:100,000 scale, but compiled Quaternary units at 1:24,000 scale. The Quaternary contacts and structural data have been much simplified for the 1:100,000-scale map and database. The spatial resolution (scale) of the database is 1:100,000 or smaller. This database depicts the distribution of geologic materials and structures at a regional (1:100,000) scale. The report is intended to provide geologic information for the regional study of materials properties, earthquake shaking, landslide potential, mineral hazards, seismic velocity, and earthquake faults. In addition, the report contains information and interpretations about the regional geologic history and framework. However, the regional scale of this report does not provide sufficient detail for site development purposes.

Geologic Map of the Wenatchee 1:100,000 Quadrangle, Central Washington: A Digital Database

USGS Publications Warehouse

Tabor, R.W.; Waitt, R.B.; Frizzell, V.A.; Swanson, D.A.; Byerly, G.R.; Bentley, R.D.

2005-01-01

This digital map database has been prepared by R.W. Tabor from the published Geologic map of the Wenatchee 1:100,000 Quadrangle, Central Washington. Together with the accompanying text files as PDF, it provides information on the geologic structure and stratigraphy of the area covered. The database delineates map units that are identified by general age and lithology following the stratigraphic nomenclature of the U.S. Geological Survey. The authors mapped most of the bedrock geology at 1:100,000 scale, but compiled Quaternary units at 1:24,000 scale. The Quaternary contacts and structural data have been much simplified for the 1:100,000-scale map and database. The spatial resolution (scale) of the database is 1:100,000 or smaller. This database depicts the distribution of geologic materials and structures at a regional (1:100,000) scale. The report is intended to provide geologic information for the regional study of materials properties, earthquake shaking, landslide potential, mineral hazards, seismic velocity, and earthquake faults. In addition, the report contains information and interpretations about the regional geologic history and framework. However, the regional scale of this report does not provide sufficient detail for site development purposes.

Material Property Database and Environmental Attribute Models for NM Science Research

DTIC Science & Technology

2011-03-28

3 Goals 1. Provide place "to go " for initial information 2. Basic understanding of what types of information you might need to... MWCNT , SWCNT, Fullerene, Waste • Aluminum ...,. Explosive, propellant • Silver ...,. Coatings, textiles, polymers • Titanium dioxide

Macrostrat: A Platform for Geological Data Integration and Deep-Time Earth Crust Research

NASA Astrophysics Data System (ADS)

Peters, Shanan E.; Husson, Jon M.; Czaplewski, John

2018-04-01

Characterizing the lithology, age, and physical-chemical properties of rocks and sediments in the Earth's upper crust is necessary to fully assess energy, water, and mineral resources and to address many fundamental questions. Although a large number of geological maps, regional geological syntheses, and sample-based measurements have been produced, there is no openly available database that integrates rock record-derived data, while also facilitating large-scale, quantitative characterization of the volume, age, and material properties of the upper crust. Here we describe Macrostrat, a relational geospatial database and supporting cyberinfrastructure that is designed to enable quantitative spatial and geochronological analyses of the entire assemblage of surface and subsurface sedimentary, igneous, and metamorphic rocks. Macrostrat contains general, comprehensive summaries of the age and properties of 33,903 lithologically and chronologically defined geological units distributed across 1,474 regions in North and South America, the Caribbean, New Zealand, and the deep sea. Sample-derived data, including fossil occurrences in the Paleobiology Database, more than 180,000 geochemical and outcrop-derived measurements, and more than 2.3 million bedrock geologic map units from over 200 map sources, are linked to specific Macrostrat units and/or lithologies. Macrostrat has generated numerous quantitative results and its infrastructure is used as a data platform in several independently developed mobile applications. It is necessary to expand geographic coverage and to refine age models and material properties to arrive at a more precise characterization of the upper crust globally and test fundamental hypotheses about the long-term evolution of Earth systems.

Materials used to simulate physical properties of human skin.

PubMed

Dąbrowska, A K; Rotaru, G-M; Derler, S; Spano, F; Camenzind, M; Annaheim, S; Stämpfli, R; Schmid, M; Rossi, R M

2016-02-01

For many applications in research, material development and testing, physical skin models are preferable to the use of human skin, because more reliable and reproducible results can be obtained. This article gives an overview of materials applied to model physical properties of human skin to encourage multidisciplinary approaches for more realistic testing and improved understanding of skin-material interactions. The literature databases Web of Science, PubMed and Google Scholar were searched using the terms 'skin model', 'skin phantom', 'skin equivalent', 'synthetic skin', 'skin substitute', 'artificial skin', 'skin replica', and 'skin model substrate.' Articles addressing material developments or measurements that include the replication of skin properties or behaviour were analysed. It was found that the most common materials used to simulate skin are liquid suspensions, gelatinous substances, elastomers, epoxy resins, metals and textiles. Nano- and micro-fillers can be incorporated in the skin models to tune their physical properties. While numerous physical skin models have been reported, most developments are research field-specific and based on trial-and-error methods. As the complexity of advanced measurement techniques increases, new interdisciplinary approaches are needed in future to achieve refined models which realistically simulate multiple properties of human skin. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Systems and methods for predicting materials properties

DOEpatents

Ceder, Gerbrand; Fischer, Chris; Tibbetts, Kevin; Morgan, Dane; Curtarolo, Stefano

2007-11-06

Systems and methods for predicting features of materials of interest. Reference data are analyzed to deduce relationships between the input data sets and output data sets. Reference data includes measured values and/or computed values. The deduced relationships can be specified as equations, correspondences, and/or algorithmic processes that produce appropriate output data when suitable input data is used. In some instances, the output data set is a subset of the input data set, and computational results may be refined by optionally iterating the computational procedure. To deduce features of a new material of interest, a computed or measured input property of the material is provided to an equation, correspondence, or algorithmic procedure previously deduced, and an output is obtained. In some instances, the output is iteratively refined. In some instances, new features deduced for the material of interest are added to a database of input and output data for known materials.

Preliminary Geologic Map of the Buxton 7.5' Quadrangle, Washington County, Oregon

USGS Publications Warehouse

Dinterman, Philip A.; Duvall, Alison R.

2009-01-01

This map, compiled from previously published and unpublished data, and new mapping by the authors, represents the general distribution of bedrock and surficial deposits of the Buxton 7.5-minute quadrangle. The database delineates map units that are identified by general age and lithology following the stratigraphic nomenclature of the U.S. Geological Survey. The scale of the source maps limits the spatial resolution (scale) of the database to 1:24,000 or smaller. This plot file and accompanying database depict the distribution of geologic materials and structures at a regional (1:24,000) scale. The report is intended to provide geologic information for the regional study of materials properties, earthquake shaking, landslide potential, mineral hazards, seismic velocity, and earthquake faults. In addition, the report contains new information and interpretations about the regional geologic history and framework. However, the regional scale of this report does not provide sufficient detail for site development purposes.

Database Design for Structural Analysis and Design Optimization.

DTIC Science & Technology

1984-10-01

2) . Element number of nodes IELT NPAR(2) " Stress printing flag IPST NPAR(2) Element material angle BETA NPAR(2) Element thickness THICK NPAR(2...number LM 3*NPAR(17)*NPAR(2) Element nodal coordinates XYZ 3*NPAR(17)*NPAR(2) Element number of nodes IELT NPAR(2) Element geometry number of nodes IELTX...D.O.F. number LM 6*NPAR(7)*NPAR(2) Element number of nodes IELT NPAR(2) Material property set number MATP NPAR(2) Material constants PROP NPAR(17

Mechanical Properties of Plasma-Sprayed ZrO2-8 wt% Y2O3 Thermal Barrier Coatings

NASA Technical Reports Server (NTRS)

Choi, Sung R.; Zhu, Dongming; Miller, Robert A.

2004-01-01

Mechanical behavior of free standing, plasma-sprayed ZrO2-8 wt% Y2O3 thermal barrier coatings, including strength, fracture toughness, fatigue, constitutive relation, elastic modulus, and directionality, has been determined under various loading-specimen configurations. This report presents and describes a summary of mechanical properties of the plasma-sprayed coating material to provide them as a design database.

Fusion materials semiannual progress report for the period ending June 30, 1998

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burn, G.

1998-09-01

This is the twenty-fourth in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the US Department of Energy. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database.

Acquisition and analysis of a spectral and bidirectional database of urban materials over Toulouse (France)

NASA Astrophysics Data System (ADS)

Briottet, X.; Lachérade, S.; Pallotta, S.; Miesch, C.; Tanguy, B.; Le Men, H.

2006-05-01

This paper presents an experiment carried out in Toulouse in 2004. This campaign aims to create a specific library which will give us simultaneously information in three domains: a list of the main materials present in the city, the optical properties of each of them (spectral and directional) and their spatial variability in a given class. The spectral domain covers the entire optical domain from the visible to the Long Wave InfraRed range. Measurements have been carried out in the visible and near infrared spectral region (400-2500 nm) with an ASD spectroradiometer at a 20 cm resolution for outdoors measurements, and with a goniometer for laboratory ones at the same spatial resolution. A database of about 550 individual spectra has been created. These spectra could be divided into 4 classical urban classes like road (red asphalt, tar), pavement (red asphalt, tar), square (granite slab) and wall (brick, concrete). In addition to these "in situ" experiments, the bi-directional behaviours of urban material samples have been studied in laboratory with the Onera goniometer. Two material types have been distinguished: flat materials, which is isotropic, and textured materials, whose study is more complex. Whereas road and sidewalk materials are quite lambertian with a slight backscattering effect typical of rough surfaces, square materials like granite or concrete present a specular peak at large zenith angle. A specific study on tiles demonstrates their important anisotropic directional properties. In the infrared domain (3μm - 14μm), a SOC 400 spectroradiometer was used at a 1.27cm spatial resolution. A database of about 100 individual spectra has been created. These spectra could be divided into four classical urban classes like road (red asphalt, tar), pavement (red asphalt, tar), square (granite slab) and wall (bricks, painted walls). In each spectral domain, three variability types are considered: a physical variability which is intrinsic to the material, a contextual variability depending on the material use and a theoretical variability which is the one observed inside a chosen class.

Thermophysical properties of hydrophobised lime plasters - The influence of ageing

NASA Astrophysics Data System (ADS)

Pavlíková, Milena; Zemanová, Lucie; Pavlík, Zbyšek

2017-07-01

The building envelope is a principal responsible for buildings energy loses. Lime plasters as the most popular finishing materials of historical buildings and culture monuments influence the thermal behaviour as well as construction material of masonry. On this account, the effect of ageing on the thermophysical properties of a newly designed lime plasters containing hydrophobic admixture is analysed in the paper. For the comparative purposes, the reference lime plaster is tested. The ageing is accelerated with controlled carbonation process to simulate the final plasters properties. Basic characterization of the tested materials is done using bulk density, matrix density, and porosity measurements. Thermal conductivity and volumetric heat capacity are experimentally assessed using a transient impulse method. The obtained data revealed the significant changes of the both studied thermal parameters in the dependence on plasters composition and age. The assessed material parameters will be stored in a material database, where will find use as an input data for computational modelling of heat transport in this type of porous building materials and evaluation of energy-savings and sustainability issues.

ARTI refrigerant database

DOE Office of Scientific and Technical Information (OSTI.GOV)

Calm, J.M.

1998-03-15

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to thermophysical properties, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufacturers and those using alternative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern. The database provides bibliographic citations and abstracts for publications that may be useful in research and design of air conditioning and refrigeration equipment. It also references documents addressing compatibility ofmore » refrigerants and lubricants with other materials.« less

Zirconia in dental implantology: A review

PubMed Central

Apratim, Abhishek; Eachempati, Prashanti; Krishnappa Salian, Kiran Kumar; Singh, Vijendra; Chhabra, Saurabh; Shah, Sanket

2015-01-01

Background: Titanium has been the most popular material of choice for dental implantology over the past few decades. Its properties have been found to be most suitable for the success of implant treatment. But recently, zirconia is slowly emerging as one of the materials which might replace the gold standard of dental implant, i.e., titanium. Materials and Methods: Literature was searched to retrieve information about zirconia dental implant and studies were critically analyzed. PubMed database was searched for information about zirconia dental implant regarding mechanical properties, osseointegration, surface roughness, biocompatibility, and soft tissue health around it. The literature search was limited to English language articles published from 1975 to 2015. Results: A total of 45 papers met the inclusion criteria for this review, among the relevant search in the database. Conclusion: Literature search showed that some of the properties of zirconia seem to be suitable for making it an ideal dental implant, such as biocompatibility, osseointegration, favourable soft tissue response and aesthetics due to light transmission and its color. At the same time, some studies also point out its drawbacks. It was also found that most of the studies on zirconia dental implants are short-term studies and there is a need for more long-term clinical trials to prove that zirconia is worth enough to replace titanium as a biomaterial in dental implantology. PMID:26236672

Handbook of the Materials Properties of FeCrAl Alloys For Nuclear Power Production Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamamoto, Yukinori; Snead, Mary A.; Field, Kevin G.

FeCrAl alloys are a class of alloys that have seen increased interest for nuclear power applications including as accident tolerant fuel cladding, structural components for fast fission reactors, and as first wall and blanket structures for fusion reactors. FeCrAl alloys are under consideration for these applications due to their inherent corrosion resistance, stress corrosion cracking resistance, radiation-induced swelling resistance, and high temperature oxidation resistance. A substantial amount of research effort has been completed to design, develop, and begin commercial scaling of FeCrAl alloys for nuclear power applications over the past half a century. These efforts have led to the developmentmore » of an extensive database on material properties and process knowledge for FeCrAl alloys but not within a consolidated format. The following report is the first edition of a materials handbook to consolidate the state-of-the-art on FeCrAl alloys for nuclear power applications. This centralized database focuses solely on wrought FeCrAl alloys, oxide dispersion strengthened alloys, although discussed in brief, are not covered. Where appropriate, recommendations for applications of the data is provided and current knowledge gaps are identified.« less

Learning atoms for materials discovery.

PubMed

Zhou, Quan; Tang, Peizhe; Liu, Shenxiu; Pan, Jinbo; Yan, Qimin; Zhang, Shou-Cheng

2018-06-26

Exciting advances have been made in artificial intelligence (AI) during recent decades. Among them, applications of machine learning (ML) and deep learning techniques brought human-competitive performances in various tasks of fields, including image recognition, speech recognition, and natural language understanding. Even in Go, the ancient game of profound complexity, the AI player has already beat human world champions convincingly with and without learning from the human. In this work, we show that our unsupervised machines (Atom2Vec) can learn the basic properties of atoms by themselves from the extensive database of known compounds and materials. These learned properties are represented in terms of high-dimensional vectors, and clustering of atoms in vector space classifies them into meaningful groups consistent with human knowledge. We use the atom vectors as basic input units for neural networks and other ML models designed and trained to predict materials properties, which demonstrate significant accuracy. Copyright © 2018 the Author(s). Published by PNAS.

New Powder Diffraction File (PDF-4) in relational database format: advantages and data-mining capabilities.

PubMed

Kabekkodu, Soorya N; Faber, John; Fawcett, Tim

2002-06-01

The International Centre for Diffraction Data (ICDD) is responding to the changing needs in powder diffraction and materials analysis by developing the Powder Diffraction File (PDF) in a very flexible relational database (RDB) format. The PDF now contains 136,895 powder diffraction patterns. In this paper, an attempt is made to give an overview of the PDF-4, search/match methods and the advantages of having the PDF-4 in RDB format. Some case studies have been carried out to search for crystallization trends, properties, frequencies of space groups and prototype structures. These studies give a good understanding of the basic structural aspects of classes of compounds present in the database. The present paper also reports data-mining techniques and demonstrates the power of a relational database over the traditional (flat-file) database structures.

High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials

DOE PAGES

Petousis, Ioannis; Mrdjenovich, David; Ballouz, Eric; ...

2017-01-31

Dielectrics are an important class of materials that are ubiquitous in modern electronic applications. Even though their properties are important for the performance of devices, the number of compounds with known dielectric constant is on the order of a few hundred. Here, we use Density Functional Perturbation Theory as a way to screen for the dielectric constant and refractive index of materials in a fast and computationally efficient way. Our results constitute the largest dielectric tensors database to date, containing 1,056 compounds. Details regarding the computational methodology and technical validation are presented along with the format of our publicly availablemore » data. In addition, we integrate our dataset with the Materials Project allowing users easy access to material properties. Finally, we explain how our dataset and calculation methodology can be used in the search for novel dielectric compounds.« less

High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials

PubMed Central

Petousis, Ioannis; Mrdjenovich, David; Ballouz, Eric; Liu, Miao; Winston, Donald; Chen, Wei; Graf, Tanja; Schladt, Thomas D.; Persson, Kristin A.; Prinz, Fritz B.

2017-01-01

Dielectrics are an important class of materials that are ubiquitous in modern electronic applications. Even though their properties are important for the performance of devices, the number of compounds with known dielectric constant is on the order of a few hundred. Here, we use Density Functional Perturbation Theory as a way to screen for the dielectric constant and refractive index of materials in a fast and computationally efficient way. Our results constitute the largest dielectric tensors database to date, containing 1,056 compounds. Details regarding the computational methodology and technical validation are presented along with the format of our publicly available data. In addition, we integrate our dataset with the Materials Project allowing users easy access to material properties. Finally, we explain how our dataset and calculation methodology can be used in the search for novel dielectric compounds. PMID:28140408

High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials.

PubMed

Petousis, Ioannis; Mrdjenovich, David; Ballouz, Eric; Liu, Miao; Winston, Donald; Chen, Wei; Graf, Tanja; Schladt, Thomas D; Persson, Kristin A; Prinz, Fritz B

2017-01-31

Dielectrics are an important class of materials that are ubiquitous in modern electronic applications. Even though their properties are important for the performance of devices, the number of compounds with known dielectric constant is on the order of a few hundred. Here, we use Density Functional Perturbation Theory as a way to screen for the dielectric constant and refractive index of materials in a fast and computationally efficient way. Our results constitute the largest dielectric tensors database to date, containing 1,056 compounds. Details regarding the computational methodology and technical validation are presented along with the format of our publicly available data. In addition, we integrate our dataset with the Materials Project allowing users easy access to material properties. Finally, we explain how our dataset and calculation methodology can be used in the search for novel dielectric compounds.

Database for the geologic map of the Sauk River 30-minute by 60-minute quadrangle, Washington (I-2592)

USGS Publications Warehouse

Tabor, R.W.; Booth, D.B.; Vance, J.A.; Ford, A.B.

2006-01-01

This digital map database has been prepared by R.W. Tabor from the published Geologic map of the Sauk River 30- by 60 Minute Quadrangle, Washington. Together with the accompanying text files as PDF, it provides information on the geologic structure and stratigraphy of the area covered. The database delineates map units that are identified by general age and lithology following the stratigraphic nomenclature of the U.S. Geological Survey. The authors mapped most of the bedrock geology at 1:100,000 scale, but compiled most Quaternary units at 1:24,000 scale. The Quaternary contacts and structural data have been much simplified for the 1:100,000-scale map and database. The spatial resolution (scale) of the database is 1:100,000 or smaller. This database depicts the distribution of geologic materials and structures at a regional (1:100,000) scale. The report is intended to provide geologic information for the regional study of materials properties, earthquake shaking, landslide potential, mineral hazards, seismic velocity, and earthquake faults. In addition, the report contains information and interpretations about the regional geologic history and framework. However, the regional scale of this report does not provide sufficient detail for site development purposes.

A database for reproducible manipulation research: CapriDB - Capture, Print, Innovate.

PubMed

Pokorny, Florian T; Bekiroglu, Yasemin; Pauwels, Karl; Butepage, Judith; Scherer, Clara; Kragic, Danica

2017-04-01

We present a novel approach and database which combines the inexpensive generation of 3D object models via monocular or RGB-D camera images with 3D printing and a state of the art object tracking algorithm. Unlike recent efforts towards the creation of 3D object databases for robotics, our approach does not require expensive and controlled 3D scanning setups and aims to enable anyone with a camera to scan, print and track complex objects for manipulation research. The proposed approach results in detailed textured mesh models whose 3D printed replicas provide close approximations of the originals. A key motivation for utilizing 3D printed objects is the ability to precisely control and vary object properties such as the size, material properties and mass distribution in the 3D printing process to obtain reproducible conditions for robotic manipulation research. We present CapriDB - an extensible database resulting from this approach containing initially 40 textured and 3D printable mesh models together with tracking features to facilitate the adoption of the proposed approach.

In silico design of porous polymer networks: high-throughput screening for methane storage materials.

PubMed

Martin, Richard L; Simon, Cory M; Smit, Berend; Haranczyk, Maciej

2014-04-02

Porous polymer networks (PPNs) are a class of advanced porous materials that combine the advantages of cheap and stable polymers with the high surface areas and tunable chemistry of metal-organic frameworks. They are of particular interest for gas separation or storage applications, for instance, as methane adsorbents for a vehicular natural gas tank or other portable applications. PPNs are self-assembled from distinct building units; here, we utilize commercially available chemical fragments and two experimentally known synthetic routes to design in silico a large database of synthetically realistic PPN materials. All structures from our database of 18,000 materials have been relaxed with semiempirical electronic structure methods and characterized with Grand-canonical Monte Carlo simulations for methane uptake and deliverable (working) capacity. A number of novel structure-property relationships that govern methane storage performance were identified. The relationships are translated into experimental guidelines to realize the ideal PPN structure. We found that cooperative methane-methane attractions were present in all of the best-performing materials, highlighting the importance of guest interaction in the design of optimal materials for methane storage.

Outside Mainstream Electronic Databases: Review of Studies Conducted in the USSR and Post-Soviet Countries on Electric Current-Assisted Consolidation of Powder Materials

PubMed Central

Olevsky, Eugene A.; Aleksandrova, Elena V.; Ilyina, Alexandra M.; Dudina, Dina V.; Novoselov, Alexander N.; Pelve, Kirill Y.; Grigoryev, Eugene G.

2013-01-01

This paper reviews research articles published in the former USSR and post-soviet countries on the consolidation of powder materials using electric current that passes through the powder sample and/or a conductive die-punch set-up. Having been published in Russian, many of the reviewed papers are not included in the mainstream electronic databases of the scientific articles and thus are not known to the scientific community. The present review is aimed at filling this information gap. In the paper, the electric current-assisted sintering techniques based on high- and low-voltage approaches are presented. The main results of the theoretical modeling of the processes of electromagnetic field-assisted consolidation of powder materials are discussed. Sintering experiments and related equipment are described and the major experimental results are analyzed. Sintering conditions required to achieve the desired properties of the sintered materials are provided for selected material systems. Tooling materials used in the electric current-assisted consolidation set-ups are also described. PMID:28788337

PSIDD3: Post-Scan Ultrasonic Data Display System for the Windows-Based PC Including Fuzzy Logic Analysis

NASA Technical Reports Server (NTRS)

Lovelace, Jeffrey J.; Cios, Krzysztof J.; Roth, Don J.; Cao, Wei

2000-01-01

Post-Scan Interactive Data Display (PSIDD) III is a user-oriented Windows-based system that facilitates the display and comparison of ultrasonic contact data. The system is optimized to compare ultrasonic measurements made at different locations within a material or at different stages of material degradation. PSIDD III provides complete analysis of the primary wave forms in the time and frequency domains along with the calculation of several frequency dependent properties including Phase Velocity and Attenuation Coefficient and several frequency independent properties, like the Cross Correlation Velocity. The system allows image generation on all of the frequency dependent properties at any available frequency (limited by the bandwidth used in the scans) and on any of the frequency independent properties. From ultrasonic contact scans, areas of interest on an image can be studied with regard to underlying raw waveforms and derived ultrasonic properties by simply selecting the point on the image. The system offers various modes of in-depth comparison between scan points. Up to five scan points can be selected for comparative analysis at once. The system was developed with Borland Delphi software (Visual Pascal) and is based on a SQL database. It is ideal for classification of material properties, or location of microstructure variations in materials.

Process description language: an experiment in robust programming for manufacturing systems

NASA Astrophysics Data System (ADS)

Spooner, Natalie R.; Creak, G. Alan

1998-10-01

Maintaining stable, robust, and consistent software is difficult in face of the increasing rate of change of customers' preferences, materials, manufacturing techniques, computer equipment, and other characteristic features of manufacturing systems. It is argued that software is commonly difficult to keep up to date because many of the implications of these changing features on software details are obscure. A possible solution is to use a software generation system in which the transformation of system properties into system software is made explicit. The proposed generation system stores the system properties, such as machine properties, product properties and information on manufacturing techniques, in databases. As a result this information, on which system control is based, can also be made available to other programs. In particular, artificial intelligence programs such as fault diagnosis programs, can benefit from using the same information as the control system, rather than a separate database which must be developed and maintained separately to ensure consistency. Experience in developing a simplified model of such a system is presented.

Development of Design Standards and Guidelines for Electromagnetic Compatibility and Lightning Protection for Spacecraft Utilizing Composite Materials

NASA Technical Reports Server (NTRS)

1996-01-01

Preliminary design guidelines necessary to assure electromagnetic compatibility (EMC) of spacecraft using composite materials, are presented. A database of electrical properties of composite materials which may have an effect on EMC is established. The guidelines concentrate on the composites that are conductive but may require enhancement to be adequate for EMC purposes. These composites are represented by graphite reinforced polymers. Methods for determining adequate conductivity levels for various EMC purposes are defined, along with the methods of design which increase conductivity of composite materials and joints to adequate levels.

Composite materials for space applications

NASA Technical Reports Server (NTRS)

Rawal, Suraj P.; Misra, Mohan S.; Wendt, Robert G.

1990-01-01

The objectives of the program were to: generate mechanical, thermal, and physical property test data for as-fabricated advanced materials; design and fabricate an accelerated thermal cycling chamber; and determine the effect of thermal cycling on thermomechanical properties and dimensional stability of composites. In the current program, extensive mechanical and thermophysical property tests of various organic matrix, metal matrix, glass matrix, and carbon-carbon composites were conducted, and a reliable database was constructed for spacecraft material selection. Material property results for the majority of the as-fabricated composites were consistent with the predicted values, providing a measure of consolidation integrity attained during fabrication. To determine the effect of thermal cycling on mechanical properties, microcracking, and thermal expansion behavior, approximately 500 composite specimens were exposed to 10,000 cycles between -150 and +150 F. These specimens were placed in a large (18 cu ft work space) thermal cycling chamber that was specially designed and fabricated to simulate one year low earth orbital (LEO) thermal cycling in 20 days. With this rate of thermal cycling, this is the largest thermal cycling unit in the country. Material property measurements of the thermal cycled organic matrix composite laminate specimens exhibited less than 24 percent decrease in strength, whereas, the remaining materials exhibited less than 8 percent decrease in strength. The thermal expansion response of each of the thermal cycled specimens revealed significant reduction in hysteresis and residual strain, and the average CTE values were close to the predicted values.

A review on mode-I interlaminar fracture toughness of fibre reinforced composites

NASA Astrophysics Data System (ADS)

Nasuha, N.; Azmi, A. I.; Tan, C. L.

2017-10-01

Composite material has been growing rapidly throughout the year for its unique properties in comparisons with metal. Recently, there has been a growth on studying the way to reduce the delamination failure, which is the primary challenge on laminated fibre composite. This failure can degrade the strength of composite materials, hence loses its function. In this review, database search was performed using the keywords search on “interlaminar fracture toughness”, “double cantilever beam”, “delamination resistance” and “Mode-I GIC”. The searches were performed on Google Scholar, Scopus and Web of Science with further cross-referencing with other databases. Most relevant studies were selected for review and referencing by the author. This review paper gives a brief explanation on Mode-I interlaminar fracture toughness of composite material. This fracture mode is the most common modes on studying the delamination failure.

A Proposed Method for the Computer-aided Discovery and Design of High-strength, Ductile Metals

NASA Astrophysics Data System (ADS)

Winter, Ian Stewart

Gum Metal, a class of Ti-Nb alloys, has generated a great deal of interest in the metallurgical community since its development in 2003. These alloys display numerous novel and anomalous properties, many of which only occur after severe plastic deformation has been incurred on the material. Such properties include: super-elasticity, super-coldworkability, Invar and Elinvar behavior, high ductility, as well as high strength. The high strength of gum metal has generated particular enthusiasm as it is on the order of the predicted ideal strength of the material. Many of the properties of gum metal appear to be a direct result of tuning the composition to be near an elastic instability resulting in a high degree of elastic anisotropy. This presents an opportunity for the computer-aided discovery and design of structural materials as the ideal strength and elastic anisotropy can be approximated from the elastic constants. Two approaches are described for searching for this high ansitropy. In the first, The possibility of forming gum metal in Mg is explored by tuning the material to be near the BCC-HCP transition either by pressure or alloying with Li. The second makes use of the Materials Project's elastic constants database, which contains thousands of ordered compounds, in order to screen for gum metal candidates. By defining an elastic anisotropy parameter consistent with the behavior of gum metal and calculating it for all cubic materials in the elastic constants database several gum metal candidates are found. In order to better assess their candidacy information on the intrinsic ductility of these materials is necessary. A method is proposed for calculating the ideal strength and deformation mode of a solid solution from first-principles. In order to validate this method the intrinsic ductile-to-brittle transition composition of Ti-V systems is calculated. It is further shown that this method can be applied to the calculation of an ideal tensile yield surface.

The Steward Observatory asteroid relational database

NASA Technical Reports Server (NTRS)

Sykes, Mark V.; Alvarezdelcastillo, Elizabeth M.

1991-01-01

The Steward Observatory Asteroid Relational Database (SOARD) was created as a flexible tool for undertaking studies of asteroid populations and sub-populations, to probe the biases intrinsic to asteroid databases, to ascertain the completeness of data pertaining to specific problems, to aid in the development of observational programs, and to develop pedagogical materials. To date, SOARD has compiled an extensive list of data available on asteroids and made it accessible through a single menu-driven database program. Users may obtain tailored lists of asteroid properties for any subset of asteroids or output files which are suitable for plotting spectral data on individual asteroids. The program has online help as well as user and programmer documentation manuals. The SOARD already has provided data to fulfill requests by members of the astronomical community. The SOARD continues to grow as data is added to the database and new features are added to the program.

Lattice Symmetry and Identification-The Fundamental Role of Reduced Cells in Materials Characterization.

PubMed

Mighell, A D

2001-01-01

In theory, physical crystals can be represented by idealized mathematical lattices. Under appropriate conditions, these representations can be used for a variety of purposes such as identifying, classifying, and understanding the physical properties of materials. Critical to these applications is the ability to construct a unique representation of the lattice. The vital link that enabled this theory to be realized in practice was provided by the 1970 paper on the determination of reduced cells. This seminal paper led to a mathematical approach to lattice analysis initially based on systematic reduction procedures and the use of standard cells. Subsequently, the process evolved to a matrix approach based on group theory and linear algebra that offered a more abstract and powerful way to look at lattices and their properties. Application of the reduced cell to both database work and laboratory research at NIST was immediately successful. Currently, this cell and/or procedures based on reduction are widely and routinely used by the general scientific community: (i) for calculating standard cells for the reporting of crystalline materials, (ii) for classifying materials, (iii) in crystallographic database work (iv) in routine x-ray and neutron diffractometry, and (v) in general crystallographic research. Especially important is its use in symmetry determination and in identification. The focus herein is on the role of the reduced cell in lattice symmetry determination.

Lattice Symmetry and Identification—The Fundamental Role of Reduced Cells in Materials Characterization

PubMed Central

Mighell, Alan D.

2001-01-01

In theory, physical crystals can be represented by idealized mathematical lattices. Under appropriate conditions, these representations can be used for a variety of purposes such as identifying, classifying, and understanding the physical properties of materials. Critical to these applications is the ability to construct a unique representation of the lattice. The vital link that enabled this theory to be realized in practice was provided by the 1970 paper on the determination of reduced cells. This seminal paper led to a mathematical approach to lattice analysis initially based on systematic reduction procedures and the use of standard cells. Subsequently, the process evolved to a matrix approach based on group theory and linear algebra that offered a more abstract and powerful way to look at lattices and their properties. Application of the reduced cell to both database work and laboratory research at NIST was immediately successful. Currently, this cell and/or procedures based on reduction are widely and routinely used by the general scientific community: (i) for calculating standard cells for the reporting of crystalline materials, (ii) for classifying materials, (iii) in crystallographic database work (iv) in routine x-ray and neutron diffractometry, and (v) in general crystallographic research. Especially important is its use in symmetry determination and in identification. The focus herein is on the role of the reduced cell in lattice symmetry determination. PMID:27500059

Implementation Challenges for Sintered Silicon Carbide Fiber Bonded Ceramic Materials for High Temperature Applications

NASA Technical Reports Server (NTRS)

Singh, M.

2011-01-01

During the last decades, a number of fiber reinforced ceramic composites have been developed and tested for various aerospace and ground based applications. However, a number of challenges still remain slowing the wide scale implementation of these materials. In addition to continuous fiber reinforced composites, other innovative materials have been developed including the fibrous monoliths and sintered fiber bonded ceramics. The sintered silicon carbide fiber bonded ceramics have been fabricated by the hot pressing and sintering of silicon carbide fibers. However, in this system reliable property database as well as various issues related to thermomechanical performance, integration, and fabrication of large and complex shape components has yet to be addressed. In this presentation, thermomechanical properties of sintered silicon carbide fiber bonded ceramics (as fabricated and joined) will be presented. In addition, critical need for manufacturing and integration technologies in successful implementation of these materials will be discussed.

FTIR spectroscopy as a tool for nano-material characterization

NASA Astrophysics Data System (ADS)

Baudot, Charles; Tan, Cher Ming; Kong, Jeng Chien

2010-11-01

Covalently grafting functional molecules to carbon nanotubes (CNTs) is an important step to leverage the excellent properties of that nano-fiber in order to exploit its potential in improving the mechanical and thermal properties of a composite material. While Fourier Transform Infra Red (FTIR) spectroscopy can display the various chemical bonding in a material, we found that the existing database in FTIR library does not cover all the bonding information present in functionalized CNTs because the bond between the grafted molecule and the CNT is new in the FTIR study. In order to extend the applicability of FTIR to nano-material, we present a theoretical method to derive FTIR spectroscopy and compare it with our experimental results. In particular, we illustrate a method for the identification of functional molecules grafted on CNTs, and we are able to confirm that the functional molecules are indeed covalently grafted on the CNTs without any alterations to its functional groups.

Simulated Aging of Spacecraft External Materials on Orbit

NASA Astrophysics Data System (ADS)

Khatipov, S.

Moscow State Engineering Physics Institute (MIFI), in cooperation with Air Force Research Laboratory's Satellite Assessment Center (SatAC), the European Office of Aerospace Research and Development (EOARD), and the International Science and Technology Center (ISTC), has developed a database describing the changes in optical properties of materials used on the external surfaces of spacecraft due to space environmental factors. The database includes data acquired from tests completed under contract with the ISTC and EOARD, as well as from previous Russian materials studies conducted within the last 30 years. The space environmental factors studied are for those found in Low Earth Orbits (LEO) and Geosynchronous orbits (GEO), including electron irradiation at 50, 100, and 200 keV, proton irradiation at 50, 150, 300, and 500 keV, and ultraviolet irradiation equivalent to 1 sun-year. The material characteristics investigated were solar absorption (aS), spectral reflectance (rl), solar reflectance (rS), emissivity (e), spectral transmission coefficient (Tl), solar transmittance (TS), optical density (D), relative optical density (D/x), Bi-directional Reflectance Distribution Function (BRDF), and change of appearance and color in the visible wavelengths. The materials tested in the project were thermal control coatings (paints), multilayer insulation (films), and solar cells. The ability to predict changes in optical properties of spacecraft materials is important to increase the fidelity of space observation tools, better understand observation of space objects, and increase the longevity of spacecraft. The end goal of our project is to build semi-empirical mathematical models to predict the long-term effects of space aging as a function of time and orbit.

On the Future of Thermochemical Databases, the Development of Solution Models and the Practical Use of Computational Thermodynamics in Volcanology, Geochemistry and Petrology: Can Innovations of Modern Data Science Democratize an Oligarchy?

NASA Astrophysics Data System (ADS)

Ghiorso, M. S.

2014-12-01

Computational thermodynamics (CT) has now become an essential tool of petrologic and geochemical research. CT is the basis for the construction of phase diagrams, the application of geothermometers and geobarometers, the equilibrium speciation of solutions, the construction of pseudosections, calculations of mass transfer between minerals, melts and fluids, and, it provides a means of estimating materials properties for the evaluation of constitutive relations in fluid dynamical simulations. The practical application of CT to Earth science problems requires data. Data on the thermochemical properties and the equation of state of relevant materials, and data on the relative stability and partitioning of chemical elements between phases as a function of temperature and pressure. These data must be evaluated and synthesized into a self consistent collection of theoretical models and model parameters that is colloquially known as a thermodynamic database. Quantitative outcomes derived from CT reply on the existence, maintenance and integrity of thermodynamic databases. Unfortunately, the community is reliant on too few such databases, developed by a small number of research groups, and mostly under circumstances where refinement and updates to the database lag behind or are unresponsive to need. Given the increasing level of reliance on CT calculations, what is required is a paradigm shift in the way thermodynamic databases are developed, maintained and disseminated. They must become community resources, with flexible and assessable software interfaces that permit easy modification, while at the same time maintaining theoretical integrity and fidelity to the underlying experimental observations. Advances in computational and data science give us the tools and resources to address this problem, allowing CT results to be obtained at the speed of thought, and permitting geochemical and petrological intuition to play a key role in model development and calibration.

US and foreign alloy cross-reference database

NASA Technical Reports Server (NTRS)

Springer, John M.; Morgan, Steven H.

1991-01-01

Marshall Space Flight Center and other NASA installations have a continuing requirement for materials data from other countries involved with the development of joint international Spacelab experiments and other hardware. This need includes collecting data for common alloys to ascertain composition, physical properties, specifications, and designations. This data is scattered throughout a large number of specification statements, standards, handbooks, and other technical literature which make a manual search both tedious and often limited in extent. In recognition of this problem, a computerized database of information on alloys was developed along with the software necessary to provide the desired functions to access this data. The intention was to produce an initial database covering aluminum alloys, along with the program to provide a user-interface to the data, and then later to extend and refine the database to include other nonferrous and ferrous alloys.

Combining electronic structure and many-body theory with large databases: A method for predicting the nature of 4 f states in Ce compounds

NASA Astrophysics Data System (ADS)

Herper, H. C.; Ahmed, T.; Wills, J. M.; Di Marco, I.; Björkman, T.; Iuşan, D.; Balatsky, A. V.; Eriksson, O.

2017-08-01

Recent progress in materials informatics has opened up the possibility of a new approach to accessing properties of materials in which one assays the aggregate properties of a large set of materials within the same class in addition to a detailed investigation of each compound in that class. Here we present a large scale investigation of electronic properties and correlated magnetism in Ce-based compounds accompanied by a systematic study of the electronic structure and 4 f -hybridization function of a large body of Ce compounds. We systematically study the electronic structure and 4 f -hybridization function of a large body of Ce compounds with the goal of elucidating the nature of the 4 f states and their interrelation with the measured Kondo energy in these compounds. The hybridization function has been analyzed for more than 350 data sets (being part of the IMS database) of cubic Ce compounds using electronic structure theory that relies on a full-potential approach. We demonstrate that the strength of the hybridization function, evaluated in this way, allows us to draw precise conclusions about the degree of localization of the 4 f states in these compounds. The theoretical results are entirely consistent with all experimental information, relevant to the degree of 4 f localization for all investigated materials. Furthermore, a more detailed analysis of the electronic structure and the hybridization function allows us to make precise statements about Kondo correlations in these systems. The calculated hybridization functions, together with the corresponding density of states, reproduce the expected exponential behavior of the observed Kondo temperatures and prove a consistent trend in real materials. This trend allows us to predict which systems may be correctly identified as Kondo systems. A strong anticorrelation between the size of the hybridization function and the volume of the systems has been observed. The information entropy for this set of systems is about 0.42. Our approach demonstrates the predictive power of materials informatics when a large number of materials is used to establish significant trends. This predictive power can be used to design new materials with desired properties. The applicability of this approach for other correlated electron systems is discussed.

Mineral and Geochemical Classification From Spectroscopy/Diffraction Through Neural Networks

NASA Astrophysics Data System (ADS)

Ferralis, N.; Grossman, J.; Summons, R. E.

2017-12-01

Spectroscopy and diffraction techniques are essential for understanding structural, chemical and functional properties of geological materials for Earth and Planetary Sciences. Beyond data collection, quantitative insight relies on experimentally assembled, or computationally derived spectra. Inference on the geochemical or geophysical properties (such as crystallographic order, chemical functionality, elemental composition, etc.) of a particular geological material (mineral, organic matter, etc.) is based on fitting unknown spectra and comparing the fit with consolidated databases. The complexity of fitting highly convoluted spectra, often limits the ability to infer geochemical characteristics, and limits the throughput for extensive datasets. With the emergence of heuristic approaches to pattern recognitions though machine learning, in this work we investigate the possibility and potential of using supervised neural networks trained on available public spectroscopic database to directly infer geochemical parameters from unknown spectra. Using Raman, infrared spectroscopy and powder x-ray diffraction from the publicly available RRUFF database, we train neural network models to classify mineral and organic compounds (pure or mixtures) based on crystallographic structure from diffraction, chemical functionality, elemental composition and bonding from spectroscopy. As expected, the accuracy of the inference is strongly dependent on the quality and extent of the training data. We will identify a series of requirements and guidelines for the training dataset needed to achieve consistent high accuracy inference, along with methods to compensate for limited of data.

TOWARD THE DEVELOPMENT OF A CONSENSUS MATERIALS DATABASE FOR PRESSURE TECHNOLGY APPLICATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Swindeman, Robert W; Ren, Weiju

The ASME construction code books specify materials and fabrication procedures that are acceptable for pressure technology applications. However, with few exceptions, the materials properties provided in the ASME code books provide no statistics or other information pertaining to material variability. Such information is central to the prediction and prevention of failure events. Many sources of materials data exist that provide variability information but such sources do not necessarily represent a consensus of experts with respect to the reported trends that are represented. Such a need has been identified by the ASME Standards Technology, LLC and initial steps have been takenmore » to address these needs: however, these steps are limited to project-specific applications only, such as the joint DOE-ASME project on materials for Generation IV nuclear reactors. In contrast to light-water reactor technology, the experience base for the Generation IV nuclear reactors is somewhat lacking and heavy reliance must be placed on model development and predictive capability. The database for model development is being assembled and includes existing code alloys such as alloy 800H and 9Cr-1Mo-V steel. Ownership and use rights are potential barriers that must be addressed.« less

Public Access to Digital Material; A Call to Researchers: Digital Libraries Need Collaboration across Disciplines; Greenstone: Open-Source Digital Library Software; Retrieval Issues for the Colorado Digitization Project's Heritage Database; Report on the 5th European Conference on Digital Libraries, ECDL 2001; Report on the First Joint Conference on Digital Libraries.

ERIC Educational Resources Information Center

Kahle, Brewster; Prelinger, Rick; Jackson, Mary E.; Boyack, Kevin W.; Wylie, Brian N.; Davidson, George S.; Witten, Ian H.; Bainbridge, David; Boddie, Stefan J.; Garrison, William A.; Cunningham, Sally Jo; Borgman, Christine L.; Hessel, Heather

2001-01-01

These six articles discuss various issues relating to digital libraries. Highlights include public access to digital materials; intellectual property concerns; the need for collaboration across disciplines; Greenstone software for construction and presentation of digital information collections; the Colorado Digitization Project; and conferences…

High-throughput materials discovery and development: breakthroughs and challenges in the mapping of the materials genome

NASA Astrophysics Data System (ADS)

Buongiorno Nardelli, Marco

High-Throughput Quantum-Mechanics computation of materials properties by ab initio methods has become the foundation of an effective approach to materials design, discovery and characterization. This data driven approach to materials science currently presents the most promising path to the development of advanced technological materials that could solve or mitigate important social and economic challenges of the 21st century. In particular, the rapid proliferation of computational data on materials properties presents the possibility to complement and extend materials property databases where the experimental data is lacking and difficult to obtain. Enhanced repositories such as AFLOWLIB open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various properties. The practical realization of these opportunities depends almost exclusively on the the design of efficient algorithms for electronic structure simulations of realistic material systems beyond the limitations of the current standard theories. In this talk, I will review recent progress in theoretical and computational tools, and in particular, discuss the development and validation of novel functionals within Density Functional Theory and of local basis representations for effective ab-initio tight-binding schemes. Marco Buongiorno Nardelli is a pioneer in the development of computational platforms for theory/data/applications integration rooted in his profound and extensive expertise in the design of electronic structure codes and in his vision for sustainable and innovative software development for high-performance materials simulations. His research activities range from the design and discovery of novel materials for 21st century applications in renewable energy, environment, nano-electronics and devices, the development of advanced electronic structure theories and high-throughput techniques in materials genomics and computational materials design, to an active role as community scientific software developer (QUANTUM ESPRESSO, WanT, AFLOWpi)

Recognizing Materials using Perceptually Inspired Features

PubMed Central

Sharan, Lavanya; Liu, Ce; Rosenholtz, Ruth; Adelson, Edward H.

2013-01-01

Our world consists not only of objects and scenes but also of materials of various kinds. Being able to recognize the materials that surround us (e.g., plastic, glass, concrete) is important for humans as well as for computer vision systems. Unfortunately, materials have received little attention in the visual recognition literature, and very few computer vision systems have been designed specifically to recognize materials. In this paper, we present a system for recognizing material categories from single images. We propose a set of low and mid-level image features that are based on studies of human material recognition, and we combine these features using an SVM classifier. Our system outperforms a state-of-the-art system [Varma and Zisserman, 2009] on a challenging database of real-world material categories [Sharan et al., 2009]. When the performance of our system is compared directly to that of human observers, humans outperform our system quite easily. However, when we account for the local nature of our image features and the surface properties they measure (e.g., color, texture, local shape), our system rivals human performance. We suggest that future progress in material recognition will come from: (1) a deeper understanding of the role of non-local surface properties (e.g., extended highlights, object identity); and (2) efforts to model such non-local surface properties in images. PMID:23914070

The ``Missing Compounds'' affair in functionality-driven material discovery

NASA Astrophysics Data System (ADS)

Zunger, Alex

2014-03-01

In the paradigm of ``data-driven discovery,'' underlying one of the leading streams of the Material Genome Initiative (MGI), one attempts to compute high-throughput style as many of the properties of as many of the N (about 10**5- 10**6) compounds listed in databases of previously known compounds. One then inspects the ensuing Big Data, searching for useful trends. The alternative and complimentary paradigm of ``functionality-directed search and optimization'' used here, searches instead for the n much smaller than N configurations and compositions that have the desired value of the target functionality. Examples include the use of genetic and other search methods that optimize the structure or identity of atoms on lattice sites, using atomistic electronic structure (such as first-principles) approaches in search of a given electronic property. This addresses a few of the bottlenecks that have faced the alternative, data-driven/high throughput/Big Data philosophy: (i) When the configuration space is theoretically of infinite size, building a complete data base as in data-driven discovery is impossible, yet searching for the optimum functionality, is still a well-posed problem. (ii) The configuration space that we explore might include artificially grown, kinetically stabilized systems (such as 2D layer stacks; superlattices; colloidal nanostructures; Fullerenes) that are not listed in compound databases (used by data-driven approaches), (iii) a large fraction of chemically plausible compounds have not been experimentally synthesized, so in the data-driven approach these are often skipped. In our approach we search explicitly for such ``Missing Compounds''. It is likely that many interesting material properties will be found in cases (i)-(iii) that elude high throughput searches based on databases encapsulating existing knowledge. I will illustrate (a) Functionality-driven discovery of topological insulators and valley-split quantum-computer semiconductors, as well as (b) Use of ``first principles thermodynamics'' to discern which of the previously ``missing compounds'' should, in fact exist and in which structure. Synthesis efforts by Poeppelmeier group at NU realized 20 never-before-made half-Heusler compounds out of the 20 predicted ones, in our predicted space groups. This type of theory-led experimental search of designed materials with target functionalities may shorten the current process of discovery of interesting functional materials. Supported by DOE ,Office of Science, Energy Frontier Research Center for Inverse Design

Lessons Learned From Developing Reactor Pressure Vessel Steel Embrittlement Database

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Jy-An John

Materials behaviors caused by neutron irradiation under fission and/or fusion environments can be little understood without practical examination. Easily accessible material information system with large material database using effective computers is necessary for design of nuclear materials and analyses or simulations of the phenomena. The developed Embrittlement Data Base (EDB) at ORNL is this comprehensive collection of data. EDB database contains power reactor pressure vessel surveillance data, the material test reactor data, foreign reactor data (through bilateral agreements authorized by NRC), and the fracture toughness data. The lessons learned from building EDB program and the associated database management activity regardingmore » Material Database Design Methodology, Architecture and the Embedded QA Protocol are described in this report. The development of IAEA International Database on Reactor Pressure Vessel Materials (IDRPVM) and the comparison of EDB database and IAEA IDRPVM database are provided in the report. The recommended database QA protocol and database infrastructure are also stated in the report.« less

A high-quality fuels database of photos and information

Treesearch

Clinton S. Wright; Paige C. Eagle; Diana L. Olson

2010-01-01

Photo series and their associated data provide a quick and easy way for managers to quantify and describe fuel and vegetation properties, such as loading of dead and down woody material, tree density, or height of understory vegetation. This information is critical for making fuel management decisions and for predicting fire behavior and fire effects. The Digital Photo...

Scale-Up of GRCop: From Laboratory to Rocket Engines

NASA Technical Reports Server (NTRS)

Ellis, David L.

2016-01-01

GRCop is a high temperature, high thermal conductivity copper-based series of alloys designed primarily for use in regeneratively cooled rocket engine liners. It began with laboratory-level production of a few grams of ribbon produced by chill block melt spinning and has grown to commercial-scale production of large-scale rocket engine liners. Along the way, a variety of methods of consolidating and working the alloy were examined, a database of properties was developed and a variety of commercial and government applications were considered. This talk will briefly address the basic material properties used for selection of compositions to scale up, the methods used to go from simple ribbon to rocket engines, the need to develop a suitable database, and the issues related to getting the alloy into a rocket engine or other application.

Designing Semiconductor Heterostructures Using Digitally Accessible Electronic-Structure Data

NASA Astrophysics Data System (ADS)

Shapera, Ethan; Schleife, Andre

Semiconductor sandwich structures, so-called heterojunctions, are at the heart of modern applications with tremendous societal impact: Light-emitting diodes shape the future of lighting and solar cells are promising for renewable energy. However, their computer-based design is hampered by the high cost of electronic structure techniques used to select materials based on alignment of valence and conduction bands and to evaluate excited state properties. We describe, validate, and demonstrate an open source Python framework which rapidly screens existing online databases and user-provided data to find combinations of suitable, previously fabricated materials for optoelectronic applications. The branch point energy aligns valence and conduction bands of different materials, requiring only the bulk density functional theory band structure. We train machine learning algorithms to predict the dielectric constant, electron mobility, and hole mobility with material descriptors available in online databases. Using CdSe and InP as emitting layers for LEDs and CH3NH3PbI3 and nanoparticle PbS as absorbers for solar cells, we demonstrate our broadly applicable, automated method.

Subscale Test Methods for Combustion Devices

NASA Technical Reports Server (NTRS)

Anderson, W. E.; Sisco, J. C.; Long, M. R.; Sung, I.-K.

2005-01-01

Stated goals for long-life LRE s have been between 100 and 500 cycles: 1) Inherent technical difficulty of accurately defining the transient and steady state thermochemical environments and structural response (strain); 2) Limited statistical basis on failure mechanisms and effects of design and operational variability; and 3) Very high test costs and budget-driven need to protect test hardware (aversion to test-to-failure). Ambitious goals will require development of new databases: a) Advanced materials, e.g., tailored composites with virtually unlimited property variations; b) Innovative functional designs to exploit full capabilities of advanced materials; and c) Different cycles/operations. Subscale testing is one way to address technical and budget challenges: 1) Prototype subscale combustors exposed to controlled simulated conditions; 2) Complementary to conventional laboratory specimen database development; 3) Instrumented with sensors to measure thermostructural response; and 4) Coupled with analysis

Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics

DOE PAGES

Isaacs, Eric B.; Wolverton, Chris

2018-02-26

Electronic band structure contains a wealth of information on the electronic properties of a solid and is routinely computed. However, the more difficult problem of designing a solid with a desired band structure is an outstanding challenge. In order to address this inverse band structure design problem, we devise an approach using materials database screening with materials attributes based on the constituent elements, nominal electron count, crystal structure, and thermodynamics. Our strategy is tested in the context of thermoelectric materials, for which a targeted band structure containing both flat and dispersive components with respect to crystal momentum is highly desirable.more » We screen for thermodynamically stable or metastable compounds containing d 8 transition metals coordinated by anions in a square planar geometry in order to mimic the properties of recently identified oxide thermoelectrics with such a band structure. In doing so, we identify 157 compounds out of a total of over half a million candidates. After further screening based on electronic band gap and structural anisotropy, we explicitly compute the band structures for the several of the candidates in order to validate the approach. We successfully find two new oxide systems that achieve the targeted band structure. Electronic transport calculations on these two compounds, Ba 2PdO 3 and La 4PdO 7, confirm promising thermoelectric power factor behavior for the compounds. This methodology is easily adapted to other targeted band structures and should be widely applicable to a variety of design problems.« less

Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Isaacs, Eric B.; Wolverton, Chris

Electronic band structure contains a wealth of information on the electronic properties of a solid and is routinely computed. However, the more difficult problem of designing a solid with a desired band structure is an outstanding challenge. In order to address this inverse band structure design problem, we devise an approach using materials database screening with materials attributes based on the constituent elements, nominal electron count, crystal structure, and thermodynamics. Our strategy is tested in the context of thermoelectric materials, for which a targeted band structure containing both flat and dispersive components with respect to crystal momentum is highly desirable.more » We screen for thermodynamically stable or metastable compounds containing d 8 transition metals coordinated by anions in a square planar geometry in order to mimic the properties of recently identified oxide thermoelectrics with such a band structure. In doing so, we identify 157 compounds out of a total of over half a million candidates. After further screening based on electronic band gap and structural anisotropy, we explicitly compute the band structures for the several of the candidates in order to validate the approach. We successfully find two new oxide systems that achieve the targeted band structure. Electronic transport calculations on these two compounds, Ba 2PdO 3 and La 4PdO 7, confirm promising thermoelectric power factor behavior for the compounds. This methodology is easily adapted to other targeted band structures and should be widely applicable to a variety of design problems.« less

Technical Issues for the Fabrication of a CN-HCCB-TBM Based on RAFM Steel CLF-1

NASA Astrophysics Data System (ADS)

Wang, Pinghuai; Chen, Jiming; Fu, Haiying; Liu, Shi; Li, Xiongwei; Xu, Zengyu

2013-02-01

Reduced activation ferritic/martensitic steel (RAFM) is recognized as the primary candidate structural material for ITER's test blanket module (TBM). To provide a material and property database for the design and fabrication of the Chinese helium cooled ceramic breeding TBM (CN HCCB TBM), a type of RAFM steel named CLF-1 was developed and characterized at the Southwestern Institute of Physics (SWIP), China. In this paper, the R&D status of CLF-1 steel and the technical issues in using CLF-1 steel to manufacture CN HCCB TBM were reviewed, including the steel manufacture and different welding technologies. Several kinds of property data have been obtained for its application to the design of the ITER TBM.

The Steward Observatory asteroid relational database

NASA Technical Reports Server (NTRS)

Sykes, Mark V.; Alvarezdelcastillo, Elizabeth M.

1992-01-01

The Steward Observatory Asteroid Relational Database (SOARD) was created as a flexible tool for undertaking studies of asteroid populations and sub-populations, to probe the biases intrinsic to asteroid databases, to ascertain the completeness of data pertaining to specific problems, to aid in the development of observational programs, and to develop pedagogical materials. To date SOARD has compiled an extensive list of data available on asteroids and made it accessible through a single menu-driven database program. Users may obtain tailored lists of asteroid properties for any subset of asteroids or output files which are suitable for plotting spectral data on individual asteroids. A browse capability allows the user to explore the contents of any data file. SOARD offers, also, an asteroid bibliography containing about 13,000 references. The program has online help as well as user and programmer documentation manuals. SOARD continues to provide data to fulfill requests by members of the astronomical community and will continue to grow as data is added to the database and new features are added to the program.

Topological materials discovery using electron filling constraints

NASA Astrophysics Data System (ADS)

Chen, Ru; Po, Hoi Chun; Neaton, Jeffrey B.; Vishwanath, Ashvin

2018-01-01

Nodal semimetals are classes of topological materials that have nodal-point or nodal-line Fermi surfaces, which give them novel transport and topological properties. Despite being highly sought after, there are currently very few experimental realizations, and identifying new materials candidates has mainly relied on exhaustive database searches. Here we show how recent studies on the interplay between electron filling and nonsymmorphic space-group symmetries can guide the search for filling-enforced nodal semimetals. We recast the previously derived constraints on the allowed band-insulator fillings in any space group into a new form, which enables effective screening of materials candidates based solely on their space group, electron count in the formula unit, and multiplicity of the formula unit. This criterion greatly reduces the computation load for discovering topological materials in a database of previously synthesized compounds. As a demonstration, we focus on a few selected nonsymmorphic space groups which are predicted to host filling-enforced Dirac semimetals. Of the more than 30,000 entires listed, our filling criterion alone eliminates 96% of the entries before they are passed on for further analysis. We discover a handful of candidates from this guided search; among them, the monoclinic crystal Ca2Pt2Ga is particularly promising.

Electron Emission Properties of Insulator Materials Pertinent to the International Space Station

NASA Technical Reports Server (NTRS)

Thomson, C. D.; Zavyalov, V.; Dennison, J. R.; Corbridge, Jodie

2004-01-01

We present the results of our measurements of the electron emission properties of selected insulating and conducting materials used on the International Space Station (ISS). Utah State University (USU) has performed measurements of the electron-, ion-, and photon-induced electron emission properties of conductors for a few years, and has recently extended our capabilities to measure electron yields of insulators, allowing us to significantly expand current spacecraft material charging databases. These ISS materials data are used here to illustrate our various insulator measurement techniques that include: i) Studies of electron-induced secondary and backscattered electron yield curves using pulsed, low current electron beams to minimize deleterious affects of insulator charging. ii) Comparison of several methods used to determine the insulator 1st and 2nd crossover energies. These incident electron energies induce unity total yield at the transition between yields greater than and less than one with either negative or positive charging, respectively. The crossover energies are very important in determining both the polarity and magnitude of spacecraft surface potentials. iii) Evolution of electron emission energy spectra as a function of insulator charging used to determine the surface potential of insulators. iv) Surface potential evolution as a function of pulsed-electron fluence to determine how quickly insulators charge, and how this can affect subsequent electron yields. v) Critical incident electron energies resulting in electrical breakdown of insulator materials and the effect of breakdown on subsequent emission, charging and conduction. vi) Charge-neutralization techniques such as low-energy electron flooding and UV light irradiation to dissipate both positive and negative surface potentials during yield measurements. Specific ISS materials being tested at USU include chromic and sulfuric anodized aluminum, RTV-silicone solar array adhesives, solar cell cover glasses, Kapton, and gold. Further details of the USU testing facilities, the instrumentation used for insulator measurements, and the NASA/SEE Charge Collector materials database are provided in other Spacecraft Charging Conference presentations (Dennison, 2003b). The work presented was supported in part by the NASA Space Environments and Effects (SEE) Program, the Boeing Corporation, and a NASA Graduate Fellowship. Samples were supplied by Boeing, the Environmental Effects Group at Marshall Space Flight Center, and Sheldahl, Inc.

Effective Materials Property Information Management for the 21st Century

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ren, Weiju; Cebon, David; Arnold, Steve

2010-01-01

This paper discusses key principles for the development of materials property information management software systems. There are growing needs for automated materials information management in industry, research organizations and government agencies. In part these are fuelled by the demands for higher efficiency in material testing, product design and development and engineering analysis. But equally important, organizations are being driven to employ sophisticated methods and software tools for managing their mission-critical materials information by the needs for consistency, quality and traceability of data, as well as control of access to proprietary or sensitive information. Furthermore the use of increasingly sophisticated nonlinear,more » anisotropic and multi-scale engineering analysis approaches, particularly for composite materials, requires both processing of much larger volumes of test data for development of constitutive models and much more complex materials data input requirements for Computer-Aided Engineering (CAE) software. And finally, the globalization of engineering processes and outsourcing of design and development activities generates much greater needs for sharing a single gold source of materials information between members of global engineering teams in extended supply-chains. Fortunately material property management systems have kept pace with the growing user demands. They have evolved from hard copy archives, through simple electronic databases, to versatile data management systems that can be customized to specific user needs. The more sophisticated of these provide facilities for: (i) data management functions such as access control, version control, and quality control; (ii) a wide range of data import, export and analysis capabilities; (iii) mechanisms for ensuring that all data is traceable to its pedigree sources: details of testing programs, published sources, etc; (iv) tools for searching, reporting and viewing the data; and (v) access to the information via a wide range of interfaces, including web browsers, rich clients, programmatic access and clients embedded in third-party applications, such as CAE systems. This paper discusses the important requirements for advanced material data management systems as well as the future challenges and opportunities such as automated error checking, automated data quality assessment and characterization, identification of gaps in data, as well as functionalities and business models to keep users returning to the source: to generate user demand to fuel database growth and maintenance.« less

The Nencki Affective Picture System (NAPS): introduction to a novel, standardized, wide-range, high-quality, realistic picture database.

PubMed

Marchewka, Artur; Zurawski, Łukasz; Jednoróg, Katarzyna; Grabowska, Anna

2014-06-01

Selecting appropriate stimuli to induce emotional states is essential in affective research. Only a few standardized affective stimulus databases have been created for auditory, language, and visual materials. Numerous studies have extensively employed these databases using both behavioral and neuroimaging methods. However, some limitations of the existing databases have recently been reported, including limited numbers of stimuli in specific categories or poor picture quality of the visual stimuli. In the present article, we introduce the Nencki Affective Picture System (NAPS), which consists of 1,356 realistic, high-quality photographs that are divided into five categories (people, faces, animals, objects, and landscapes). Affective ratings were collected from 204 mostly European participants. The pictures were rated according to the valence, arousal, and approach-avoidance dimensions using computerized bipolar semantic slider scales. Normative ratings for the categories are presented for each dimension. Validation of the ratings was obtained by comparing them to ratings generated using the Self-Assessment Manikin and the International Affective Picture System. In addition, the physical properties of the photographs are reported, including luminance, contrast, and entropy. The new database, with accompanying ratings and image parameters, allows researchers to select a variety of visual stimulus materials specific to their experimental questions of interest. The NAPS system is freely accessible to the scientific community for noncommercial use by request at http://naps.nencki.gov.pl .

Microbial properties database editor tutorial

USDA-ARS?s Scientific Manuscript database

A Microbial Properties Database Editor (MPDBE) has been developed to help consolidate microbialrelevant data to populate a microbial database and support a database editor by which an authorized user can modify physico-microbial properties related to microbial indicators and pathogens. Physical prop...

Microbial Properties Database Editor Tutorial

EPA Science Inventory

A Microbial Properties Database Editor (MPDBE) has been developed to help consolidate microbial-relevant data to populate a microbial database and support a database editor by which an authorized user can modify physico-microbial properties related to microbial indicators and pat...

Biopolymer Aerogels and Foams: Chemistry, Properties, and Applications.

PubMed

Zhao, Shanyu; Malfait, Wim J; Guerrero-Alburquerque, Natalia; Koebel, Matthias M; Nyström, Gustav

2018-06-25

Biopolymer aerogels were among the first aerogels produced, but only in the last decade has research on biopolymer and biopolymer-composite aerogels become popular, motivated by sustainability arguments, their unique and tunable properties, and ease of functionalization. Biopolymer aerogels and open-cell foams have great potential for classical aerogel applications such as thermal insulation, as well as emerging applications in filtration, oil-water separation, CO 2 capture, catalysis, and medicine. The biopolymer aerogel field today is driven forward by empirical materials discovery at the laboratory scale, but requires a firmer theoretical basis and pilot studies to close the gap to market. This Review includes a database with over 3800 biopolymer aerogel properties, evaluates the state of the biopolymer aerogel field, and critically discusses the scientific, technological, and commercial barriers to the commercialization of these exciting materials. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Towards 3rd generation organic tandem solar cells with 20% efficiency: Accelerated discovery and rational design of carbon-based photovoltaic materials through massive distributed volunteer computing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aspuru-Guzik, Alan

2016-11-04

Clean, affordable, and renewable energy sources are urgently needed to satisfy the 10s of terawatts (TW) energy need of human beings. Solar cells are one promising choice to replace traditional energy sources. Our broad efforts have expanded the knowledge of possible donor materials for organic photovoltaics, while increasing access of our results to the world through the Clean Energy Project database (www.molecularspace.org). Machine learning techniques, including Gaussian Processes have been used to calibrate frontier molecular orbital energies, and OPV bulk properties (open-circuit voltage, percent conversion efficiencies, and short-circuit current). This grant allowed us to delve into the solid-state properties ofmore » OPVs (charge-carrier dynamics). One particular example allowed us to predict charge-carrier dynamics and make predictions about future hydrogen-bonded materials.« less

Thermodynamic properties and equations of state for Ag, Al, Au, Cu and MgO using a lattice vibrational method

NASA Astrophysics Data System (ADS)

Jacobs, M.; Schmid-Fetzer, R.

2012-04-01

A prerequisite for the determination of pressure in static high pressure measurements, such as in diamond anvil cells is the availability of accurate equations of state for reference materials. These materials serve as luminescence gauges or as X-ray gauges and equations of state for these materials serve as secondary pressure scales. Recently, successful progress has been made in the development of consistency between static, dynamic shock-wave and ultrasonic measurements of equations of state (e.g. Dewaele et al. Phys. Rev. B70, 094112, 2004, Dorogokupets and Oganov, Doklady Earth Sciences, 410, 1091-1095, 2006, Holzapfel, High Pressure Research 30, 372-394, 2010) allowing testing models to arrive at consistent thermodynamic descriptions for X-ray gauges. Apart from applications of metallic elements in high-pressure work, thermodynamic properties of metallic elements are also of mandatory interest in the field of metallurgy for studying phase equilibria of alloys, kinetics of phase transformation and diffusion related problems, requiring accurate thermodynamic properties in the low pressure regime. Our aim is to develop a thermodynamic data base for metallic alloy systems containing Ag, Al, Au, Cu, Fe, Ni, Pt, from which volume properties in P-T space can be predicted when it is coupled to vibrational models. This mandates the description of metallic elements as a first step aiming not only at consistency in the pressure scales for the elements, but also at accurate representations of thermodynamic properties in the low pressure regime commonly addressed in metallurgical applications. In previous works (e.g. Jacobs and de Jong, Geochim. Cosmochim. Acta, 71, 3630-3655, 2007, Jacobs and van den Berg, Phys. Earth Planet. Inter., 186, 36-48, 2011) it was demonstrated that a lattice vibrational framework based on Kieffer's model for the vibrational density of states, is suitable to construct a thermodynamic database for Earth mantle materials. Such a database aims at, when coupled to a thermodynamic computation program, the calculation and prediction of phase equilibria and thermo-physical properties of phase equilibrium assemblages in pressure-temperature-composition space. In Jacobs and van den Berg (2011) the vibrational method, together with a thermodynamic data base, was successfully applied to mantle convection of materials in the Earth. These works demonstrate that the vibrational method has the advantages of (1) computational speed, (2) coupling or making comparisons with ab initio methods and (3) making reliable extrapolations to extreme conditions. We present results of thermodynamic analyses, using lattice vibrational methods, of Ag, Al, Au, Cu and MgO covering the pressure and temperature regime of the Earth's interior. We show results on consistency of the pressure scales for these materials using different equations of state, under the constraint that thermodynamic properties in the low-pressure regime are accurately represented.

Computational designing and screening of solid materials for CO2capture

NASA Astrophysics Data System (ADS)

Duan, Yuhua

In this presentation, we will update our progress on computational designing and screening of solid materials for CO2 capture. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO2 sorbent candidates from the vast array of possible solid materials have been proposed and validated at NETL. The advantage of this method is that it identifies the thermodynamic properties of the CO2 capture reaction as a function of temperature and pressure without any experimental input beyond crystallographic structural information of the solid phases involved. The calculated thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO2 adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO2 capture reactions by the solids of interest, we were able to identify only those solid materials for which lower capture energy costs are expected at the desired working conditions. In addition, we present a simulation scheme to increase and decrease the turnover temperature (Tt) of solid capturing CO2 reaction by mixing other solids. Our results also show that some solid sorbents can serve as bi-functional materials: CO2 sorbent and CO oxidation catalyst. Such dual functionality could be used for removing both CO and CO2 after water-gas-shift to obtain pure H2.

Selected applications for current polymers in prosthetic dentistry - state of the art.

PubMed

Kawala, Maciej; Smardz, Joanna; Adamczyk, Lukasz; Grychowska, Natalia; Wieckiewicz, Mieszko

2018-05-10

Polymers are widely applied in medicine, including dentistry, i.e. in prosthodontics. The following paper is aimed at demonstrating the applications of selected modern polymers in prosthetic dentistry based on the reported literature. The study was conducted using the PubMed, SCOPUS and CINAHL databases in relation to documents published during 1999-2017. The following keywords were used: polymers with: prosthetic dentistry, impression materials, denture base materials, bite registration materials, denture soft liners, occlusal splint materials and 3D printing. Original papers and reviews which were significant from the modern clinical viewpoint and practical validity in relation to the possibility of using polymeric materials in prosthetic dentistry, were presented. Denture base materials were most commonly modified polymers. Modifications mainly concerned antimicrobial properties and reinforcement of the material structure by introducing additional fibers. Antimicrobial modifications were also common in case of relining materials. Polymeric materials have widely been used in prosthetic dentistry. Modifications of their composition allow achieving new, beneficial properties that affect quality of patients' life. Progress in science allows for a more methodologically-advanced research on the synthesis of new polymeric materials and incorporation of new substances into already known polymeric materials, that will require systematization and appropriate classification. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Materials Data Science: Current Status and Future Outlook

NASA Astrophysics Data System (ADS)

Kalidindi, Surya R.; De Graef, Marc

2015-07-01

The field of materials science and engineering is on the cusp of a digital data revolution. After reviewing the nature of data science and Big Data, we discuss the features of materials data that distinguish them from data in other fields. We introduce the concept of process-structure-property (PSP) linkages and illustrate how the determination of PSPs is one of the main objectives of materials data science. Then we review a selection of materials databases, as well as important aspects of materials data management, such as storage hardware, archiving strategies, and data access strategies. We introduce the emerging field of materials data analytics, which focuses on data-driven approaches to extract and curate materials knowledge from available data sets. The critical need for materials e-collaboration platforms is highlighted, and we conclude the article with a number of suggestions regarding the near-term future of the materials data science field.

AGC 2 Irradiated Material Properties Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rohrbaugh, David Thomas

2017-05-01

The Advanced Reactor Technologies Graphite Research and Development Program is conducting an extensive graphite irradiation experiment to provide data for licensing of a high temperature reactor (HTR) design. In past applications, graphite has been used effectively as a structural and moderator material in both research and commercial high temperature gas cooled reactor designs. , Nuclear graphite H 451, used previously in the United States for nuclear reactor graphite components, is no longer available. New nuclear graphite grades have been developed and are considered suitable candidates for new HTR reactor designs. To support the design and licensing of HTR core componentsmore » within a commercial reactor, a complete properties database must be developed for these current grades of graphite. Quantitative data on in service material performance are required for the physical, mechanical, and thermal properties of each graphite grade, with a specific emphasis on data accounting for the life limiting effects of irradiation creep on key physical properties of the HTR candidate graphite grades. Further details on the research and development activities and associated rationale required to qualify nuclear grade graphite for use within the HTR are documented in the graphite technology research and development plan.« less

A search map for organic additives and solvents applicable in high-voltage rechargeable batteries.

PubMed

Park, Min Sik; Park, Insun; Kang, Yoon-Sok; Im, Dongmin; Doo, Seok-Gwang

2016-09-29

Chemical databases store information such as molecular formulas, chemical structures, and the physical and chemical properties of compounds. Although the massive databases of organic compounds exist, the search of target materials is constrained by a lack of physical and chemical properties necessary for specific applications. With increasing interest in the development of energy storage systems such as high-voltage rechargeable batteries, it is critical to find new electrolytes efficiently. Here we build a search map to screen organic additives and solvents with novel core and functional groups, and thus establish a database of electrolytes to identify the most promising electrolyte for high-voltage rechargeable batteries. This search map is generated from MAssive Molecular Map BUilder (MAMMBU) by combining a high-throughput quantum chemical simulation with an artificial neural network algorithm. MAMMBU is designed for predicting the oxidation and reduction potentials of organic compounds existing in the massive organic compound database, PubChem. We develop a search map composed of ∼1 000 000 redox potentials and elucidate the quantitative relationship between the redox potentials and functional groups. Finally, we screen a quinoxaline compound for an anode additive and apply it to electrolytes and improve the capacity retention from 64.3% to 80.8% near 200 cycles for a lithium ion battery in experiments.

User applications driven by the community contribution framework MPContribs in the Materials Project

DOE PAGES

Huck, P.; Gunter, D.; Cholia, S.; ...

2015-10-12

This paper discusses how the MPContribs framework in the Materials Project (MP) allows user-contributed data to be shown and analyzed alongside the core MP database. The MP is a searchable database of electronic structure properties of over 65,000 bulk solid materials, which is accessible through a web-based science-gateway. We describe the motivation for enabling user contributions to the materials data and present the framework's features and challenges in the context of two real applications. These use cases illustrate how scientific collaborations can build applications with their own 'user-contributed' data using MPContribs. The Nanoporous Materials Explorer application provides a unique searchmore » interface to a novel dataset of hundreds of thousands of materials, each with tables of user-contributed values related to material adsorption and density at varying temperature and pressure. The Unified Theoretical and Experimental X-ray Spectroscopy application discusses a full workflow for the association, dissemination, and combined analyses of experimental data from the Advanced Light Source with MP's theoretical core data, using MPContribs tools for data formatting, management, and exploration. The capabilities being developed for these collaborations are serving as the model for how new materials data can be incorporated into the MP website with minimal staff overhead while giving powerful tools for data search and display to the user community.« less

Effects of Increased Loading on In Vivo Tendon Properties: A Systematic Review

PubMed Central

WIESINGER, HANS-PETER; KÖSTERS, ALEXANDER; MÜLLER, ERICH; SEYNNES, OLIVIER R.

2015-01-01

ABSTRACT Introduction In vivo measurements have been used in the past two decades to investigate the effects of increased loading on tendon properties, yet the current understanding of tendon macroscopic changes to training is rather fragmented, limited to reports of tendon stiffening, supported by changes in material properties and/or tendon hypertrophy. The main aim of this review was to analyze the existing literature to gain further insights into tendon adaptations by extracting patterns of dose-response and time-course. Methods PubMed/Medline, SPORTDiscus, and Google Scholar databases were searched for studies examining the effect of training on material, mechanical, and morphological properties via longitudinal or cross-sectional designs. Results Thirty-five of 6440 peer-reviewed articles met the inclusion criteria. The key findings were i) the confirmation of a nearly systematic adaptation of tendon tissue to training, ii) the important variability in the observed changes in tendon properties between and within studies, and iii) the absence of a consistent incremental pattern regarding the dose-response or the time-course relation of tendon adaptation within the first months of training. However, long-term (years) training was associated with a larger tendon cross-sectional area, without any evidence of differences in material properties. Our analysis also highlighted several gaps in the existing literature, which may be addressed in future research. Conclusions In line with some cross-species observations about tendon design, tendon cross-sectional area allegedly constitutes the ultimate adjusting parameter to increased loading. We propose here a theoretical model placing tendon hypertrophy and adjustments in material properties as parts of the same adaptive continuum. PMID:25563908

Machine-learned and codified synthesis parameters of oxide materials

NASA Astrophysics Data System (ADS)

Kim, Edward; Huang, Kevin; Tomala, Alex; Matthews, Sara; Strubell, Emma; Saunders, Adam; McCallum, Andrew; Olivetti, Elsa

2017-09-01

Predictive materials design has rapidly accelerated in recent years with the advent of large-scale resources, such as materials structure and property databases generated by ab initio computations. In the absence of analogous ab initio frameworks for materials synthesis, high-throughput and machine learning techniques have recently been harnessed to generate synthesis strategies for select materials of interest. Still, a community-accessible, autonomously-compiled synthesis planning resource which spans across materials systems has not yet been developed. In this work, we present a collection of aggregated synthesis parameters computed using the text contained within over 640,000 journal articles using state-of-the-art natural language processing and machine learning techniques. We provide a dataset of synthesis parameters, compiled autonomously across 30 different oxide systems, in a format optimized for planning novel syntheses of materials.

Materials Database Development for Ballistic Impact Modeling

NASA Technical Reports Server (NTRS)

Pereira, J. Michael

2007-01-01

A set of experimental data is being generated under the Fundamental Aeronautics Program Supersonics project to help create and validate accurate computational impact models of jet engine impact events. The data generated will include material property data generated at a range of different strain rates, from 1x10(exp -4)/sec to 5x10(exp 4)/sec, over a range of temperatures. In addition, carefully instrumented ballistic impact tests will be conducted on flat plates and curved structures to provide material and structural response information to help validate the computational models. The material property data and the ballistic impact data will be generated using materials from the same lot, as far as possible. It was found in preliminary testing that the surface finish of test specimens has an effect on measured high strain rate tension response of AL2024. Both the maximum stress and maximum elongation are greater on specimens with a smoother finish. This report gives an overview of the testing that is being conducted and presents results of preliminary testing of the surface finish study.

NIST/ASME Steam Properties Database

National Institute of Standards and Technology Data Gateway

SRD 10 NIST/ASME Steam Properties Database (PC database for purchase)   Based upon the International Association for the Properties of Water and Steam (IAPWS) 1995 formulation for the thermodynamic properties of water and the most recent IAPWS formulations for transport and other properties, this updated version provides water properties over a wide range of conditions according to the accepted international standards.

Analytical Design Package (ADP2): A computer aided engineering tool for aircraft transparency design

NASA Technical Reports Server (NTRS)

Wuerer, J. E.; Gran, M.; Held, T. W.

1994-01-01

The Analytical Design Package (ADP2) is being developed as a part of the Air Force Frameless Transparency Program (FTP). ADP2 is an integrated design tool consisting of existing analysis codes and Computer Aided Engineering (CAE) software. The objective of the ADP2 is to develop and confirm an integrated design methodology for frameless transparencies, related aircraft interfaces, and their corresponding tooling. The application of this methodology will generate high confidence for achieving a qualified part prior to mold fabrication. ADP2 is a customized integration of analysis codes, CAE software, and material databases. The primary CAE integration tool for the ADP2 is P3/PATRAN, a commercial-off-the-shelf (COTS) software tool. The open architecture of P3/PATRAN allows customized installations with different applications modules for specific site requirements. Integration of material databases allows the engineer to select a material, and those material properties are automatically called into the relevant analysis code. The ADP2 materials database will be composed of four independent schemas: CAE Design, Processing, Testing, and Logistics Support. The design of ADP2 places major emphasis on the seamless integration of CAE and analysis modules with a single intuitive graphical interface. This tool is being designed to serve and be used by an entire project team, i.e., analysts, designers, materials experts, and managers. The final version of the software will be delivered to the Air Force in Jan. 1994. The Analytical Design Package (ADP2) will then be ready for transfer to industry. The package will be capable of a wide range of design and manufacturing applications.

Investigation of wetting property between liquid lead lithium alloy and several structural materials for Chinese DEMO reactor

NASA Astrophysics Data System (ADS)

Lu, Wei; Wang, Weihua; Jiang, Haiyan; Zuo, Guizhong; Pan, Baoguo; Xu, Wei; Chu, Delin; Hu, Jiansheng; Qi, Junli

2017-10-01

The dual-cooled lead lithium (PbLi) blanket is considered as one of the main options for the Chinese demonstration reactor (DEMO). Liquid PbLi alloy is used as the breeder material and coolant. Reduced activation ferritic/martensitic (RAFM) steel, stainless steel and the silicon carbide ceramic matrix composite (SiCf) are selected as the substrate materials for different use. To investigate the wetting property and inter-facial interactions of PbLi/RAFM steel, PbLi/SS316L, PbLi/SiC and PbLi/SiCf couples, in this paper, the special vacuum experimental device is built, and the 'dispensed droplet' modification for the classic sessile droplet technique is made. Contact angles are measured between the liquid PbLi and the various candidate materials at blanket working temperature from 260 to 480 °C. X-ray photoelectron spectroscopy (XPS) is used to characterize the surface components of PbLi droplets and substrate materials, in order to study the element trans-port and corrosion mechanism. Results show that SiC composite (SiCf) and SiC ceramic show poor wetting properties with the liquid PbLi alloy. Surface roughness and testing temperature only provide tiny improvements on the wetting property below 480 °C. RAFM steel performs better wetting properties and corrosion residence when contacted with molten PbLi, while SS316L shows low corrosion residence above 420 °C for the decomposition of protective surface film mainly consisted of chromic sesquioxide. The results could provide meaningful compatibility database of liquid PbLi alloy and valuable reference in engineering design of candidate structural and functional materials for future fusion blanket.

The shear instability energy: a new parameter for materials design?

NASA Astrophysics Data System (ADS)

Kanani, M.; Hartmaier, A.; Janisch, R.

2017-10-01

Reliable and predictive relationships between fundamental microstructural material properties and observable macroscopic mechanical behaviour are needed for the successful design of new materials. In this study we establish a link between physical properties that are defined on the atomic level and the deformation mechanisms of slip planes and interfaces that govern the mechanical behaviour of a metallic material. To accomplish this, the shear instability energy Γ is introduced, which can be determined via quantum mechanical ab initio calculations or other atomistic methods. The concept is based on a multilayer generalised stacking fault energy calculation and can be applied to distinguish the different shear deformation mechanisms occurring at TiAl interfaces during finite-temperature molecular dynamics simulations. We use the new parameter Γ to construct a deformation mechanism map for different interfaces occurring in this intermetallic. Furthermore, Γ can be used to convert the results of ab initio density functional theory calculations into those obtained with an embedded atom method type potential for TiAl. We propose to include this new physical parameter into material databases to apply it for the design of materials and microstructures, which so far mainly relies on single-crystal values for the unstable and stable stacking fault energy.

Information Management Workflow and Tools Enabling Multiscale Modeling Within ICME Paradigm

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Bednarcyk, Brett A.; Austin, Nic; Terentjev, Igor; Cebon, Dave; Marsden, Will

2016-01-01

With the increased emphasis on reducing the cost and time to market of new materials, the need for analytical tools that enable the virtual design and optimization of materials throughout their processing - internal structure - property - performance envelope, along with the capturing and storing of the associated material and model information across its lifecycle, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. Fortunately, material information management systems and physics-based multiscale modeling methods have kept pace with the growing user demands. Herein, recent efforts to establish workflow for and demonstrate a unique set of web application tools for linking NASA GRC's Integrated Computational Materials Engineering (ICME) Granta MI database schema and NASA GRC's Integrated multiscale Micromechanics Analysis Code (ImMAC) software toolset are presented. The goal is to enable seamless coupling between both test data and simulation data, which is captured and tracked automatically within Granta MI®, with full model pedigree information. These tools, and this type of linkage, are foundational to realizing the full potential of ICME, in which materials processing, microstructure, properties, and performance are coupled to enable application-driven design and optimization of materials and structures.

Drinking water quality standards and standard tests: Worldwide. (Latest citations from the Food Science and Technology Abstracts database). Published Search

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1993-06-01

The bibliography contains citations concerning standards and standard tests for water quality in drinking water sources, reservoirs, and distribution systems. Standards from domestic and international sources are presented. Glossaries and vocabularies that concern water quality analysis, testing, and evaluation are included. Standard test methods for individual elements, selected chemicals, sensory properties, radioactivity, and other chemical and physical properties are described. Discussions for proposed standards on new pollutant materials are briefly considered. (Contains a minimum of 203 citations and includes a subject term index and title list.)

Predicting Pattern Tooling and Casting Dimensions for Investment Casting, Phase III

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sabau, Adrian S

2008-04-01

Efforts during Phase III focused mainly on the shell-alloy systems. A high melting point alloy, 17-4PH stainless steel, was considered. The experimental part of the program was conducted at ORNL and commercial foundries, where wax patterns were injected, molds were invested, and alloys were poured. Shell molds made of fused-silica and alumino-silicates were considered. A literature review was conducted on thermophysical and thermomechanical properties alumino-silicates. Material property data, which were not available from material suppliers, was obtained. For all the properties of 17-4PH stainless steel, the experimental data available in the literature did not cover the entire temperature range necessarymore » for process simulation. Thus, some material properties were evaluated using ProCAST, based on CompuTherm database. A comparison between the predicted material property data and measured property data was made. It was found that most material properties were accurately predicted only over several temperature ranges. No experimental data for plastic modulus were found. Thus, several assumptions were made and ProCAST recommendations were followed in order to obtain a complete set of mechanical property data at high temperatures. Thermal expansion measurements for the 17-4PH alloy were conducted during heating and cooling. As a function of temperature, the thermal expansion for both the alloy and shell mold materials showed different evolution on heating and cooling. Numerical simulations were performed using ProCAST for the investment casting of 17-4PH stainless steel parts in fused silica molds using the thermal expansion obtained on heating and another one with thermal expansion obtained on cooling. Since the fused silica shells had the lowest thermal expansion properties in the industry, the dewaxing phase, including the coupling between wax-shell systems, was neglected. The shell mold was considered to be a pure elastic material. The alloy dimensions were obtained from numerical simulations. For 17-4PH stainless steel parts, the alloy shrinkage factors were over-predicted, as compared with experimental data. Additional R&D focus was placed on obtaining material property data for filled waxes, waxes that are common in the industry. For the first time in the investment casting industry, the thermo-mechanical properties of unfilled and filled waxes were measured. Test specimens of three waxes were injected at commercial foundries. Rheometry measurement of filled waxes was conducted at ORNL. The analysis of the rheometry data to obtain viscoelastic properties was not completed due to the reduction in the budget of the project (approximately 50% funds were received).« less

International Shock-Wave Database: Current Status

NASA Astrophysics Data System (ADS)

Levashov, Pavel

2013-06-01

Shock-wave and related dynamic material response data serve for calibrating, validating, and improving material models over very broad regions of the pressure-temperature-density phase space. Since the middle of the 20th century vast amount of shock-wave experimental information has been obtained. To systemize it a number of compendiums of shock-wave data has been issued by LLNL, LANL (USA), CEA (France), IPCP and VNIIEF (Russia). In mid-90th the drawbacks of the paper handbooks became obvious, so the first version of the online shock-wave database appeared in 1997 (http://www.ficp.ac.ru/rusbank). It includes approximately 20000 experimental points on shock compression, adiabatic expansion, measurements of sound velocity behind the shock front and free-surface-velocity for more than 650 substances. This is still a useful tool for the shock-wave community, but it has a number of serious disadvantages which can't be easily eliminated: (i) very simple data format for points and references; (ii) minimalistic user interface for data addition; (iii) absence of history of changes; (iv) bad feedback from users. The new International Shock-Wave database (ISWdb) is intended to solve these and some other problems. The ISWdb project objectives are: (i) to develop a database on thermodynamic and mechanical properties of materials under conditions of shock-wave and other dynamic loadings, selected related quantities of interest, and the meta-data that describes the provenance of the measurements and material models; and (ii) to make this database available internationally through the Internet, in an interactive form. The development and operation of the ISWdb is guided by an advisory committee. The database will be installed on two mirrored web-servers, one in Russia and the other in USA (currently only one server is available). The database provides access to original experimental data on shock compression, non-shock dynamic loadings, isentropic expansion, measurements of sound speed in the Hugoniot state, and time-dependent free-surface or window-interface velocity profiles. Users are able to search the information in the database and obtain the experimental points in tabular or plain text formats directly via the Internet using common browsers. It is also possible to plot the experimental points for comparison with different approximations and results of equation-of-state calculations. The user can present the results of calculations in text or graphical forms and compare them with any experimental data available in the database. A short history of the shock-wave database will be presented and current possibilities of ISWdb will be demonstrated. Web-site of the project: http://iswdb.info. This work is supported by SNL contracts # 1143875, 1196352.

Ontology based heterogeneous materials database integration and semantic query

NASA Astrophysics Data System (ADS)

Zhao, Shuai; Qian, Quan

2017-10-01

Materials digital data, high throughput experiments and high throughput computations are regarded as three key pillars of materials genome initiatives. With the fast growth of materials data, the integration and sharing of data is very urgent, that has gradually become a hot topic of materials informatics. Due to the lack of semantic description, it is difficult to integrate data deeply in semantic level when adopting the conventional heterogeneous database integration approaches such as federal database or data warehouse. In this paper, a semantic integration method is proposed to create the semantic ontology by extracting the database schema semi-automatically. Other heterogeneous databases are integrated to the ontology by means of relational algebra and the rooted graph. Based on integrated ontology, semantic query can be done using SPARQL. During the experiments, two world famous First Principle Computational databases, OQMD and Materials Project are used as the integration targets, which show the availability and effectiveness of our method.

Space Transportation System (STS)-133/External Tank (ET)-137 Intertank (IT) Stringer Cracking Issue and Repair Assessment: Proximate Cause Determination and Material Characterization Study

NASA Technical Reports Server (NTRS)

Piascik, Robert S.

2011-01-01

Several cracks were detected in stringers located beneath the foam on the External Tank (ET) following the launch scrub of Space Transportation System (STS)-133 on November 5, 2010. The stringer material was aluminum-lithium (AL-Li) 2090-T83 fabricated from sheets that were nominally 0.064 inches thick. The mechanical properties of the stringer material were known to vary between different material lots, with the stringers from ET-137 (predominately lots 620853 and 620854) having the highest yield and ultimate stresses. Subsequent testing determined that these same lots also had the lowest fracture toughness properties. The NASA Engineering and Safety Center (NESC) supported the Space Shuttle Program (SSP)-led investigation. The objective of this investigation was to develop a database of test results to provide validation for structural analysis models, independently confirm test results obtained from other investigators, and determine the proximate cause of the anomalous low fracture toughness observed in stringer lots 620853 and 620854. This document contains the outcome of the investigation.

Functionality and nutritional aspects of microcrystalline cellulose in food.

PubMed

Nsor-Atindana, John; Chen, Maoshen; Goff, H Douglas; Zhong, Fang; Sharif, Hafiz Rizwan; Li, Yue

2017-09-15

Microcrystalline cellulose (MCC) is among the most commonly used cellulose derivatives in the food industry. In order assess the recent advances of MCC in food product development and its associated nutraceutical implications, google scholar and database of journals subscribed by Jiangnan university, China were used to source literature. Recently published research articles that reported physicochemical properties of MCC for food application or potential application in food and nutraceutical functions were reviewed and major findings outlined. The selected literature reviewed demonstrated that the material has been extensively explored as a functional ingredient in food including meat products, emulsions, beverages, dairy products, bakery, confectionary and filling. The carbohydrate polymer also has many promising applications in functional and nutraceutical food industries. Though widely used as control for many dietary fiber investigations, MCC has been shown to provide positive effects on gastrointestinal physiology, and hypolipidemic effects, influencing the expression of enzymes involved in lipid metabolism. These techno-functional and nutraceutical properties of MCC are influenced by the physicochemical of the material, which are defined by the raw material source and processing conditions. Apart from these functional properties, this review also highlighted limitations and gaps regarding the application of material in food and nutritional realms. Functional, Nutritional and health claims of MCC. Copyright © 2017 Elsevier Ltd. All rights reserved.

A review of materials for spectral design coatings in signature management applications

NASA Astrophysics Data System (ADS)

Andersson, Kent E.; Škerlind, Christina

2014-10-01

The current focus in Swedish policy towards national security and high-end technical systems, together with a rapid development in multispectral sensor technology, adds to the utility of developing advanced materials for spectral design in signature management applications. A literature study was performed probing research databases for advancements. Qualitative text analysis was performed using a six-indicator instrument: spectrally selective reflectance; low gloss; low degree of polarization; low infrared emissivity; non-destructive properties in radar and in general controllability of optical properties. Trends are identified and the most interesting materials and coating designs are presented with relevant performance metrics. They are sorted into categories in the order of increasing complexity: pigments and paints, one-dimensional structures, multidimensional structures (including photonic crystals), and lastly biomimic and metamaterials. The military utility of the coatings is assessed qualitatively. The need for developing a framework for assessing the military utility of incrementally increasing the performance of spectrally selective coatings is identified.

Multiscale Modeling of UHTC: Thermal Conductivity

NASA Technical Reports Server (NTRS)

Lawson, John W.; Murry, Daw; Squire, Thomas; Bauschlicher, Charles W.

2012-01-01

We are developing a multiscale framework in computational modeling for the ultra high temperature ceramics (UHTC) ZrB2 and HfB2. These materials are characterized by high melting point, good strength, and reasonable oxidation resistance. They are candidate materials for a number of applications in extreme environments including sharp leading edges of hypersonic aircraft. In particular, we used a combination of ab initio methods, atomistic simulations and continuum computations to obtain insights into fundamental properties of these materials. Ab initio methods were used to compute basic structural, mechanical and thermal properties. From these results, a database was constructed to fit a Tersoff style interatomic potential suitable for atomistic simulations. These potentials were used to evaluate the lattice thermal conductivity of single crystals and the thermal resistance of simple grain boundaries. Finite element method (FEM) computations using atomistic results as inputs were performed with meshes constructed on SEM images thereby modeling the realistic microstructure. These continuum computations showed the reduction in thermal conductivity due to the grain boundary network.

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

DOE PAGES

Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.; ...

2018-02-13

Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materials properties are central aspects that determine the performance of a material in a certain application. This information is, however, difficult to access directly from experimental measurements. Consequently, computational methods, based on electronic density functional theory (DFT), have found widespread use in the calculation of point-defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT) tomore » expedite the setup and post-processing of defect calculations with widely used DFT software. PyCDT has a user-friendly command-line interface and provides a direct interface with the Materials Project database. This allows for setting up many charged defect calculations for any material of interest, as well as post-processing and applying state-of-the-art electrostatic correction terms. Our paper serves as a documentation for PyCDT, and demonstrates its use in an application to the well-studied GaAs compound semiconductor. As a result, we anticipate that the PyCDT code will be useful as a framework for undertaking readily reproducible calculations of charged point-defect properties, and that it will provide a foundation for automated, high-throughput calculations.« less

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

NASA Astrophysics Data System (ADS)

Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.; Yu, Guodong; Canning, Andrew; Haranczyk, Maciej; Asta, Mark; Hautier, Geoffroy

2018-05-01

Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materials properties are central aspects that determine the performance of a material in a certain application. This information is, however, difficult to access directly from experimental measurements. Consequently, computational methods, based on electronic density functional theory (DFT), have found widespread use in the calculation of point-defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT) to expedite the setup and post-processing of defect calculations with widely used DFT software. PyCDT has a user-friendly command-line interface and provides a direct interface with the Materials Project database. This allows for setting up many charged defect calculations for any material of interest, as well as post-processing and applying state-of-the-art electrostatic correction terms. Our paper serves as a documentation for PyCDT, and demonstrates its use in an application to the well-studied GaAs compound semiconductor. We anticipate that the PyCDT code will be useful as a framework for undertaking readily reproducible calculations of charged point-defect properties, and that it will provide a foundation for automated, high-throughput calculations.

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.

Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materials properties are central aspects that determine the performance of a material in a certain application. This information is, however, difficult to access directly from experimental measurements. Consequently, computational methods, based on electronic density functional theory DFT), have found widespread use in the calculation of point defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT)more » to expedite the setup and post-processing of defect calculations with widely used DFT software. PyCDT has a user-friendly command-line interface and provides a direct interface with the Materials Project database. This allows for setting up many charged defect calculations for any material of interest, as well as post-processing and applying state-of-the-art electrostatic correction terms. Our paper serves as a documentation for PyCDT, and demonstrates its use in an application to the well-studied GaAs compound semiconductor. We anticipate that the PyCDT code will be useful as a framework for undertaking readily reproducible calculations of charged point-defect properties, and that it will provide a foundation for automated, high-throughput calculations.« less

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.

Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materials properties are central aspects that determine the performance of a material in a certain application. This information is, however, difficult to access directly from experimental measurements. Consequently, computational methods, based on electronic density functional theory (DFT), have found widespread use in the calculation of point-defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT) tomore » expedite the setup and post-processing of defect calculations with widely used DFT software. PyCDT has a user-friendly command-line interface and provides a direct interface with the Materials Project database. This allows for setting up many charged defect calculations for any material of interest, as well as post-processing and applying state-of-the-art electrostatic correction terms. Our paper serves as a documentation for PyCDT, and demonstrates its use in an application to the well-studied GaAs compound semiconductor. As a result, we anticipate that the PyCDT code will be useful as a framework for undertaking readily reproducible calculations of charged point-defect properties, and that it will provide a foundation for automated, high-throughput calculations.« less

Development of a component design tool for metal hydride heat pumps

NASA Astrophysics Data System (ADS)

Waters, Essene L.

Given current demands for more efficient and environmentally friendly energy sources, hydrogen based energy systems are an increasingly popular field of interest. Within the field, metal hydrides have become a prominent focus of research due to their large hydrogen storage capacity and relative system simplicity and safety. Metal hydride heat pumps constitute one such application, in which heat and hydrogen are transferred to and from metal hydrides. While a significant amount of work has been done to study such systems, the scope of materials selection has been quite limited. Typical studies compare only a few metal hydride materials and provide limited justification for the choice of those few. In this work, a metal hydride component design tool has been developed to enable the targeted down-selection of an extensive database of metal hydrides to identify the most promising materials for use in metal hydride thermal systems. The material database contains over 300 metal hydrides with various physical and thermodynamic properties included for each material. Sub-models for equilibrium pressure, thermophysical data, and default properties are used to predict the behavior of each material within the given system. For a given thermal system, this tool can be used to identify optimal materials out of over 100,000 possible hydride combinations. The selection tool described herein has been applied to a stationary combined heat and power system containing a high-temperature proton exchange membrane (PEM) fuel cell, a hot water tank, and two metal hydride beds used as a heat pump. A variety of factors can be used to select materials including efficiency, maximum and minimum system pressures, pressure difference, coefficient of performance (COP), and COP sensitivity. The targeted down-selection of metal hydrides for this system focuses on the system's COP for each potential pair. The values of COP and COP sensitivity have been used to identify pairs of highest interest for use in this application. The metal hydride component design tool developed in this work selects between metal hydride materials on an unprecedented scale. It can be easily applied to other hydrogen-based thermal systems, making it a powerful and versatile tool.

Nanotechnology patenting trends through an environmental lens: analysis of materials and applications

NASA Astrophysics Data System (ADS)

Leitch, Megan E.; Casman, Elizabeth; Lowry, Gregory V.

2012-12-01

Many international groups study environmental health and safety (EHS) concerns surrounding the use of engineered nanomaterials (ENMs). These researchers frequently use the "Project on Emerging Nanotechnologies" (PEN) inventory of nano-enabled consumer products to prioritize types of ENMs to study because estimates of life-cycle ENM releases to the environment can be extrapolated from the database. An alternative "snapshot" of nanomaterials likely to enter commerce can be determined from the patent literature. The goal of this research was to provide an overview of nanotechnology intellectual property trends, complementary to the PEN consumer product database, to help identify potentially "risky" nanomaterials for study by the nano-EHS community. Ten years of nanotechnology patents were examined to determine the types of nano-functional materials being patented, the chemical compositions of the ENMs, and the products in which they are likely to appear. Patenting trends indicated different distributions of nano-enabled products and materials compared to the PEN database. Recent nanotechnology patenting is dominated by electrical and information technology applications rather than the hygienic and anti-fouling applications shown by PEN. There is an increasing emphasis on patenting of nano-scale layers, coatings, and other surface modifications rather than traditional nanoparticles, and there is widespread use of nano-functional semiconductor, ceramic, magnetic, and biological materials that are currently less studied by EHS professionals. These commonly patented products and the nano-functional materials they contain may warrant life-cycle evaluations to determine the potential for environmental exposure and toxicity. The patent and consumer product lists contribute different and complementary insights into the emerging nanotechnology industry and its potential for introducing nanomaterials into the environment.

Effective Materials Property Information Management for the 21st Century

NASA Technical Reports Server (NTRS)

Ren, Weiju; Cebon, David; Arnold, Steve

2009-01-01

This paper discusses key principles for the development of materials property information management software systems. There are growing needs for automated materials information management in various organizations. In part these are fueled by the demands for higher efficiency in material testing, product design and engineering analysis. But equally important, organizations are being driven by the need for consistency, quality and traceability of data, as well as control of access to sensitive information such as proprietary data. Further, the use of increasingly sophisticated nonlinear, anisotropic and multi-scale engineering analyses requires both processing of large volumes of test data for development of constitutive models and complex materials data input for Computer-Aided Engineering (CAE) software. And finally, the globalization of economy often generates great needs for sharing a single "gold source" of materials information between members of global engineering teams in extended supply chains. Fortunately, material property management systems have kept pace with the growing user demands and evolved to versatile data management systems that can be customized to specific user needs. The more sophisticated of these provide facilities for: (i) data management functions such as access, version, and quality controls; (ii) a wide range of data import, export and analysis capabilities; (iii) data "pedigree" traceability mechanisms; (iv) data searching, reporting and viewing tools; and (v) access to the information via a wide range of interfaces. In this paper the important requirements for advanced material data management systems, future challenges and opportunities such as automated error checking, data quality characterization, identification of gaps in datasets, as well as functionalities and business models to fuel database growth and maintenance are discussed.

Towards novel organic high-Tc superconductors: Data mining using density of states similarity search

NASA Astrophysics Data System (ADS)

Geilhufe, R. Matthias; Borysov, Stanislav S.; Kalpakchi, Dmytro; Balatsky, Alexander V.

2018-02-01

Identifying novel functional materials with desired key properties is an important part of bridging the gap between fundamental research and technological advancement. In this context, high-throughput calculations combined with data-mining techniques highly accelerated this process in different areas of research during the past years. The strength of a data-driven approach for materials prediction lies in narrowing down the search space of thousands of materials to a subset of prospective candidates. Recently, the open-access organic materials database OMDB was released providing electronic structure data for thousands of previously synthesized three-dimensional organic crystals. Based on the OMDB, we report about the implementation of a novel density of states similarity search tool which is capable of retrieving materials with similar density of states to a reference material. The tool is based on the approximate nearest neighbor algorithm as implemented in the ANNOY library and can be applied via the OMDB web interface. The approach presented here is wide ranging and can be applied to various problems where the density of states is responsible for certain key properties of a material. As the first application, we report about materials exhibiting electronic structure similarities to the aromatic hydrocarbon p-terphenyl which was recently discussed as a potential organic high-temperature superconductor exhibiting a transition temperature in the order of 120 K under strong potassium doping. Although the mechanism driving the remarkable transition temperature remains under debate, we argue that the density of states, reflecting the electronic structure of a material, might serve as a crucial ingredient for the observed high Tc. To provide candidates which might exhibit comparable properties, we present 15 purely organic materials with similar features to p-terphenyl within the electronic structure, which also tend to have structural similarities with p-terphenyl such as space group symmetries, chemical composition, and molecular structure. The experimental verification of these candidates might lead to a better understanding of the underlying mechanism in case similar superconducting properties are revealed.

A manufacturing database of advanced materials used in spacecraft structures

NASA Technical Reports Server (NTRS)

Bao, Han P.

1994-01-01

Cost savings opportunities over the life cycle of a product are highest in the early exploratory phase when different design alternatives are evaluated not only for their performance characteristics but also their methods of fabrication which really control the ultimate manufacturing costs of the product. In the past, Design-To-Cost methodologies for spacecraft design concentrated on the sizing and weight issues more than anything else at the early so-called 'Vehicle Level' (Ref: DOD/NASA Advanced Composites Design Guide). Given the impact of manufacturing cost, the objective of this study is to identify the principal cost drivers for each materials technology and propose a quantitative approach to incorporating these cost drivers into the family of optimization tools used by the Vehicle Analysis Branch of NASA LaRC to assess various conceptual vehicle designs. The advanced materials being considered include aluminum-lithium alloys, thermoplastic graphite-polyether etherketone composites, graphite-bismaleimide composites, graphite- polyimide composites, and carbon-carbon composites. Two conventional materials are added to the study to serve as baseline materials against which the other materials are compared. These two conventional materials are aircraft aluminum alloys series 2000 and series 7000, and graphite-epoxy composites T-300/934. The following information is available in the database. For each material type, the mechanical, physical, thermal, and environmental properties are first listed. Next the principal manufacturing processes are described. Whenever possible, guidelines for optimum processing conditions for specific applications are provided. Finally, six categories of cost drivers are discussed. They include, design features affecting processing, tooling, materials, fabrication, joining/assembly, and quality assurance issues. It should be emphasized that this database is not an exhaustive database. Its primary use is to make the vehicle designer aware of some of the most important aspects of manufacturing associated with his/her choice of the structural materials. The other objective of this study is to propose a quantitative method to determine a Manufacturing Complexity Factor (MCF) for each material being contemplated. This MCF is derived on the basis of the six cost drivers mentioned above plus a Technology Readiness Factor which is very closely related to the Technology Readiness Level (TRL) as defined in the Access To Space final report. Short of any manufacturing information, our MCF is equivalent to the inverse of TRL. As more manufacturing information is available, our MCF is a better representation (than TRL) of the fabrication processes involved. The most likely application for MCF is in cost modeling for trade studies. On-going work is being pursued to expand the potential applications of MCF.

A manufacturing database of advanced materials used in spacecraft structures

NASA Astrophysics Data System (ADS)

Bao, Han P.

1994-12-01

Cost savings opportunities over the life cycle of a product are highest in the early exploratory phase when different design alternatives are evaluated not only for their performance characteristics but also their methods of fabrication which really control the ultimate manufacturing costs of the product. In the past, Design-To-Cost methodologies for spacecraft design concentrated on the sizing and weight issues more than anything else at the early so-called 'Vehicle Level' (Ref: DOD/NASA Advanced Composites Design Guide). Given the impact of manufacturing cost, the objective of this study is to identify the principal cost drivers for each materials technology and propose a quantitative approach to incorporating these cost drivers into the family of optimization tools used by the Vehicle Analysis Branch of NASA LaRC to assess various conceptual vehicle designs. The advanced materials being considered include aluminum-lithium alloys, thermoplastic graphite-polyether etherketone composites, graphite-bismaleimide composites, graphite- polyimide composites, and carbon-carbon composites. Two conventional materials are added to the study to serve as baseline materials against which the other materials are compared. These two conventional materials are aircraft aluminum alloys series 2000 and series 7000, and graphite-epoxy composites T-300/934. The following information is available in the database. For each material type, the mechanical, physical, thermal, and environmental properties are first listed. Next the principal manufacturing processes are described. Whenever possible, guidelines for optimum processing conditions for specific applications are provided. Finally, six categories of cost drivers are discussed. They include, design features affecting processing, tooling, materials, fabrication, joining/assembly, and quality assurance issues. It should be emphasized that this database is not an exhaustive database. Its primary use is to make the vehicle designer aware of some of the most important aspects of manufacturing associated with his/her choice of the structural materials. The other objective of this study is to propose a quantitative method to determine a Manufacturing Complexity Factor (MCF) for each material being contemplated. This MCF is derived on the basis of the six cost drivers mentioned above plus a Technology Readiness Factor which is very closely related to the Technology Readiness Level (TRL) as defined in the Access To Space final report. Short of any manufacturing information, our MCF is equivalent to the inverse of TRL. As more manufacturing information is available, our MCF is a better representation (than TRL) of the fabrication processes involved.

Materials Databases Infrastructure Constructed by First Principles Calculations: A Review

DOE PAGES

Lin, Lianshan

2015-10-13

The First Principles calculations, especially the calculation based on High-Throughput Density Functional Theory, have been widely accepted as the major tools in atom scale materials design. The emerging super computers, along with the powerful First Principles calculations, have accumulated hundreds of thousands of crystal and compound records. The exponential growing of computational materials information urges the development of the materials databases, which not only provide unlimited storage for the daily increasing data, but still keep the efficiency in data storage, management, query, presentation and manipulation. This review covers the most cutting edge materials databases in materials design, and their hotmore » applications such as in fuel cells. By comparing the advantages and drawbacks of these high-throughput First Principles materials databases, the optimized computational framework can be identified to fit the needs of fuel cell applications. The further development of high-throughput DFT materials database, which in essence accelerates the materials innovation, is discussed in the summary as well.« less

Nencki Affective Word List (NAWL): the cultural adaptation of the Berlin Affective Word List-Reloaded (BAWL-R) for Polish.

PubMed

Riegel, Monika; Wierzba, Małgorzata; Wypych, Marek; Żurawski, Łukasz; Jednoróg, Katarzyna; Grabowska, Anna; Marchewka, Artur

2015-12-01

In the present article, we introduce the Nencki Affective Word List (NAWL), created in order to provide researchers with a database of 2,902 Polish words, including nouns, verbs, and adjectives, with ratings of emotional valence, arousal, and imageability. Measures of several objective psycholinguistic features of the words (frequency, grammatical class, and number of letters) are also controlled. The database is a Polish adaptation of the Berlin Affective Word List-Reloaded (BAWL-R; Võ et al., Behavior Research Methods 41:534-538, 2009), commonly used to investigate the affective properties of German words. Affective normative ratings were collected from 266 Polish participants (136 women and 130 men). The emotional ratings and psycholinguistic indexes provided by NAWL can be used by researchers to better control the verbal materials they apply and to adjust them to specific experimental questions or issues of interest. The NAWL is freely accessible to the scientific community for noncommercial use as supplementary material to this article.

The U.S. national nuclear forensics library, nuclear materials information program, and data dictionary

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lamont, Stephen Philip; Brisson, Marcia; Curry, Michael

2011-02-17

Nuclear forensics assessments to determine material process history requires careful comparison of sample data to both measured and modeled nuclear material characteristics. Developing centralized databases, or nuclear forensics libraries, to house this information is an important step to ensure all relevant data will be available for comparison during a nuclear forensics analysis and help expedite the assessment of material history. The approach most widely accepted by the international community at this time is the implementation of National Nuclear Forensics libraries, which would be developed and maintained by individual nations. This is an attractive alternative toan international database since it providesmore » an understanding that each country has data on materials produced and stored within their borders, but eliminates the need to reveal any proprietary or sensitive information to other nations. To support the concept of National Nuclear Forensics libraries, the United States Department of Energy has developed a model library, based on a data dictionary, or set of parameters designed to capture all nuclear forensic relevant information about a nuclear material. Specifically, information includes material identification, collection background and current location, analytical laboratories where measurements were made, material packaging and container descriptions, physical characteristics including mass and dimensions, chemical and isotopic characteristics, particle morphology or metallurgical properties, process history including facilities, and measurement quality assurance information. While not necessarily required, it may also be valuable to store modeled data sets including reactor burn-up or enrichment cascade data for comparison. It is fully expected that only a subset of this information is available or relevant to many materials, and much of the data populating a National Nuclear Forensics library would be process analytical or material accountability measurement data as opposed to a complete forensic analysis of each material in the library.« less

Calcium silicate-based cements and functional impacts of various constituents

PubMed Central

SAGHIRI, Mohammad Ali; ORANGI, Jafar; ASATOURIAN, Armen; GUTMANN, James L.; Garcia-Godoy, Franklin; LOTFI, Mehrdad; SHEIBANI, Nader

2016-01-01

Calcium silicate-based cements have superior sealing ability, bioactivity, and marginal adaptation, which make them suitable for different dental treatment applications. However, they exhibit some drawbacks such as long setting time and poor handling characteristics. To overcome these limitations calcium silicates are engineered with various constituents to improve specific characteristics of the base material, and are the focus of this review. An electronic search of the PubMed, MEDLINE, and EMBASE via OVID databases using appropriate terms and keywords related to the use, application, and properties of calcium silicate-based cements was conducted. Two independent reviewers obtained and analyzed the full texts of the selected articles. Although the effects of various constituents and additives to the base Portland cement-like materials have been investigated, there is no one particular ingredient that stands out as being most important. Applying nanotechnology and new synthesis methods for powders most positively affected the cement properties. PMID:27773894

NREL Opens Large Database of Inorganic Thin-Film Materials | News | NREL

Science.gov Websites

Inorganic Thin-Film Materials April 3, 2018 An extensive experimental database of inorganic thin-film Energy Laboratory (NREL) is now publicly available. The High Throughput Experimental Materials (HTEM Schroeder / NREL) "All existing experimental databases either contain many entries or have all this

Where can cone penetrometer technology be applied? Development of a map of Europe regarding the soil penetrability.

PubMed

Fleischer, Matthias; van Ree, Derk; Leven, Carsten

2014-01-01

Over the past decades, significant efforts have been invested in the development of push-in technology for site characterization and monitoring for geotechnical and environmental purposes and have especially been undertaken in the Netherlands and Germany. These technologies provide the opportunity for faster, cheaper, and collection of more reliable subsurface data. However, to maximize the technology both from a development and implementation point of view, it is necessary to have an overview of the areas suitable for the application of this type of technology. Such an overview is missing and cannot simply be read from existing maps and material. This paper describes the development of a map showing the feasibility or applicability of Direct Push/Cone Penetrometer Technology (DPT/CPT) in Europe which depends on the subsurface and its extremely varying properties throughout Europe. Subsurface penetrability is dependent on a range of factors that have not been mapped directly or can easily be inferred from existing databases, especially the maximum depth reachable would be of interest. Among others, it mainly depends on the geology, the soil mechanical properties, the type of equipment used as well as soil-forming processes. This study starts by looking at different geological databases available at the European scale. Next, a scheme has been developed linking geological properties mapped to geotechnical properties to determine basic penetrability categories. From this, a map of soil penetrability is developed and presented. Validating the output by performing field tests was beyond the scope of this study, but for the country of the Netherlands, this map has been compared against a database containing actual cone penetrometer depth data to look for possible contradictory results that would negate the approach. The map for the largest part of Europe clearly shows that there is a much wider potential for the application of Direct Push Technology than is currently seen. The study also shows that there is a lack of large-scale databases that contain depth-resolved data as well as soil mechanical and physical properties that can be used for engineering purposes in relation to the subsurface.

Information technologies in public health management: a database on biocides to improve quality of life.

PubMed

Roman, C; Scripcariu, L; Diaconescu, Rm; Grigoriu, A

2012-01-01

Biocides for prolonging the shelf life of a large variety of materials have been extensively used over the last decades. It has estimated that the worldwide biocide consumption to be about 12.4 billion dollars in 2011, and is expected to increase in 2012. As biocides are substances we get in contact with in our everyday lives, access to this type of information is of paramount importance in order to ensure an appropriate living environment. Consequently, a database where information may be quickly processed, sorted, and easily accessed, according to different search criteria, is the most desirable solution. The main aim of this work was to design and implement a relational database with complete information about biocides used in public health management to improve the quality of life. Design and implementation of a relational database for biocides, by using the software "phpMyAdmin". A database, which allows for an efficient collection, storage, and management of information including chemical properties and applications of a large quantity of biocides, as well as its adequate dissemination into the public health environment. The information contained in the database herein presented promotes an adequate use of biocides, by means of information technologies, which in consequence may help achieve important improvement in our quality of life.

Mechanical Properties of T650-35/AFR-PE-4 at Elevated Temperatures for Lightweight Aeroshell Designs

NASA Technical Reports Server (NTRS)

Whitley, Karen S.; Collins, TImothy J.

2006-01-01

Considerable efforts have been underway to develop multidisciplinary technologies for aeroshell structures that will significantly increase the allowable working temperature for the aeroshell components, and enable the system to operate at higher temperatures while sustaining performance and durability. As part of these efforts, high temperature polymer matrix composites and fabrication technologies are being developed for the primary load bearing structure (heat shield) of the spacecraft. New high-temperature resins and composite material manufacturing techniques are available that have the potential to significantly improve current aeroshell design. In order to qualify a polymer matrix composite (PMC) material as a candidate aeroshell structural material, its performance must be evaluated under realistic environments. Thus, verification testing of lightweight PMC's at aeroshell entry temperatures is needed to ensure that they will perform successfully in high-temperature environments. Towards this end, a test program was developed to characterize the mechanical properties of two candidate material systems, T650-35/AFR-PE-4 and T650-35/RP46. The two candidate high-temperature polyimide resins, AFR-PE-4 and RP46, were developed at the Air Force Research Laboratory and NASA Langley Research Center, respectively. This paper presents experimental methods, strength, and stiffness data of the T650-35/AFR-PE-4 material as a function of elevated temperatures. The properties determined during the research test program herein, included tensile strength, tensile stiffness, Poisson s ratio, compressive strength, compressive stiffness, shear modulus, and shear strength. Unidirectional laminates, a cross-ply laminate and two eight-harness satin (8HS)-weave laminates (4-ply and 10-ply) were tested according to ASTM standard methods at room and elevated temperatures (23, 316, and 343 C). All of the relevant test methods and data reduction schemes are outlined along with mechanical data. These data contribute to a database of material properties for high-temperature polyimide composites that will be used to identify the material characteristics of potential candidate materials for aeroshell structure applications.

Frequency scanning capaciflector for capacitively determining the material properties

NASA Technical Reports Server (NTRS)

Campbell, Charles E. (Inventor)

1996-01-01

A capaciflector sensor system scanned in frequency is used to detect the permittivity of the material of an object being sensed. A capaciflector sensor element, coupled to current-measuring voltage follower circuitry, is driven by a frequency swept oscillator and generates an output which corresponds to capacity as a function of the input frequency. This swept frequency information is fed into apparatus e.g. a digital computer for comparing the shape of the capacitance vs. frequency curve against characteristic capacitor vs. frequency curves for a variety of different materials which are stored, for example, in a digital memory of the computer or a database. Using a technique of pattern matching, a determination is made as to the identification of the material. Also, when desirable, the distance between the sensor and the object can be determined.

The Material Supply Adjustment Process in RAMF-SM, Step 2

DTIC Science & Technology

2016-06-01

contain. The Risk Assessment and Mitigation Framework for Strategic Materials (RAMF-SM) is a suite of mathematical models and databases that has been...Risk Assessment and Mitigation Framework for Strategic Materials (RAMF-SM) is a suite of mathematical models and databases used to support the...and computes material shortfalls.1 Several mathematical models and dozens of databases, encompassing thousands of data items, support the

Effective Materials Property Information Management for the 21st Century

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ren, Weiju; Cebon, David; Barabash, Oleg M

2011-01-01

This paper discusses key principles for the development of materials property information management software systems. There are growing needs for automated materials information management in various organizations. In part these are fuelled by the demands for higher efficiency in material testing, product design and engineering analysis. But equally important, organizations are being driven by the needs for consistency, quality and traceability of data, as well as control of access to proprietary or sensitive information. Further, the use of increasingly sophisticated nonlinear, anisotropic and multi-scale engineering analyses requires both processing of large volumes of test data for development of constitutive modelsmore » and complex materials data input for Computer-Aided Engineering (CAE) software. And finally, the globalization of economy often generates great needs for sharing a single gold source of materials information between members of global engineering teams in extended supply-chains. Fortunately material property management systems have kept pace with the growing user demands and evolved to versatile data management systems that can be customized to specific user needs. The more sophisticated of these provide facilities for: (i) data management functions such as access, version, and quality controls; (ii) a wide range of data import, export and analysis capabilities; (iii) data pedigree traceability mechanisms; (iv) data searching, reporting and viewing tools; and (v) access to the information via a wide range of interfaces. In this paper the important requirements for advanced material data management systems, future challenges and opportunities such as automated error checking, data quality characterization, identification of gaps in datasets, as well as functionalities and business models to fuel database growth and maintenance are discussed.« less

ARTI refrigerant database

DOE Office of Scientific and Technical Information (OSTI.GOV)

Calm, J.M.

1997-02-01

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to property, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufacturers and those using alterative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern. The database provides bibliographic citations and abstracts for publications that may be useful in research and design of air-conditioning and refrigeration equipment. The complete documents are not included, though some maymore » be added at a later date. The database identifies sources of specific information on various refrigerants. It addresses lubricants including alkylbenzene, polyalkylene glycol, polyolester, and other synthetics as well as mineral oils. It also references documents addressing compatibility of refrigerants and lubricants with metals, plastics, elastomers, motor insulation, and other materials used in refrigerant circuits. Incomplete citations or abstracts are provided for some documents. They are included to accelerate availability of the information and will be completed or replaced in future updates.« less

A polarimetric scattering database for non-spherical ice particles at microwave wavelengths

NASA Astrophysics Data System (ADS)

Lu, Yinghui; Jiang, Zhiyuan; Aydin, Kultegin; Verlinde, Johannes; Clothiaux, Eugene E.; Botta, Giovanni

2016-10-01

The atmospheric science community has entered a period in which electromagnetic scattering properties at microwave frequencies of realistically constructed ice particles are necessary for making progress on a number of fronts. One front includes retrieval of ice-particle properties and signatures from ground-based, airborne, and satellite-based radar and radiometer observations. Another front is evaluation of model microphysics by application of forward operators to their outputs and comparison to observations during case study periods. Yet a third front is data assimilation, where again forward operators are applied to databases of ice-particle scattering properties and the results compared to observations, with their differences leading to corrections of the model state. Over the past decade investigators have developed databases of ice-particle scattering properties at microwave frequencies and made them openly available. Motivated by and complementing these earlier efforts, a database containing polarimetric single-scattering properties of various types of ice particles at millimeter to centimeter wavelengths is presented. While the database presented here contains only single-scattering properties of ice particles in a fixed orientation, ice-particle scattering properties are computed for many different directions of the radiation incident on them. These results are useful for understanding the dependence of ice-particle scattering properties on ice-particle orientation with respect to the incident radiation. For ice particles that are small compared to the wavelength, the number of incident directions of the radiation is sufficient to compute reasonable estimates of their (randomly) orientation-averaged scattering properties. This database is complementary to earlier ones in that it contains complete (polarimetric) scattering property information for each ice particle - 44 plates, 30 columns, 405 branched planar crystals, 660 aggregates, and 640 conical graupel - and direction of incident radiation but is limited to four frequencies (X-, Ku-, Ka-, and W-bands), does not include temperature dependencies of the single-scattering properties, and does not include scattering properties averaged over randomly oriented ice particles. Rules for constructing the morphologies of ice particles from one database to the next often differ; consequently, analyses that incorporate all of the different databases will contain the most variability, while illuminating important differences between them. Publication of this database is in support of future analyses of this nature and comes with the hope that doing so helps contribute to the development of a database standard for ice-particle scattering properties, like the NetCDF (Network Common Data Form) CF (Climate and Forecast) or NetCDF CF/Radial metadata conventions.

Effect of Young's Modulus and Surface Roughness on the Inter-Particle Friction of Granular Materials.

PubMed

Sandeep, Chitta Sai; Senetakis, Kostas

2018-01-31

In the study we experimentally examine the influence of elastic properties and surface morphology on the inter-particle friction of natural soil grains. The experiments are conducted with a custom-built micromechanical apparatus and the database is enhanced by testing engineered-reference grains. Naturally-occurring geological materials are characterized by a wide spectrum of mechanical properties (e.g., Young's modulus) and surface morphology (e.g., roughness), whereas engineered grains have much more consistent characteristics. Comparing to engineered materials, geological materials are found to display more pronounced initial plastic behavior during compression. Under the low normal load range applied in the study, between 1 and 5 N, we found that the frictional force is linearly correlated with the applied normal load, but we acknowledge that the data are found more scattered for natural soil grains, especially for rough and weathered materials which have inconsistent characteristics. The inter-particle coefficient of friction is found to be inversely correlated with the Young's modulus and the surface roughness. These findings are important in geophysical and petroleum engineering contents, since a number of applications, such as landslides and granular flows, hydraulic fracturing using proppants, and weathering process of cliffs, among others, can be simulated using discrete numerical methods. These methods employ contact mechanics properties at the grain scale and the inter-particle friction is one of these critical components. It is stressed in our study that friction is well correlated with the elastic and morphological characteristics of the grains.

Reliability of the Defense Commissary Agency Personnel Property Database.

DTIC Science & Technology

2000-02-18

Departments’ personal property databases. The tests were designed to validate the personal property databases. This report is the second in a series of...with the completeness of its data , and key data elements were not reliable for estimating the historical costs of real property for the Military...values of greater than $100,000. However, some of the Military Departments had problems with the completeness of its data , and key data elements

Advanced Ceramic Matrix Composites (CMCs) for High Temperature Applications

NASA Technical Reports Server (NTRS)

Singh, M.

2005-01-01

Advanced ceramic matrix composites (CMCs) are enabling materials for a number of demanding applications in aerospace, energy, and nuclear industries. In the aerospace systems, these materials are being considered for applications in hot sections of jet engines such as the combustor liner, vanes, nozzle components, nose cones, leading edges of reentry vehicles, and space propulsion components. Applications in the energy and environmental industries include radiant heater tubes, heat exchangers, heat recuperators, gas and diesel particulate filters, and components for land based turbines for power generation. These materials are also being considered for use in the first wall and blanket components of fusion reactors. In the last few years, a number of CMC components have been developed and successfully tested for various aerospace and ground based applications. However, a number of challenges still remain slowing the wide scale implementation of these materials. They include robust fabrication and manufacturing, assembly and integration, coatings, property modeling and life prediction, design codes and databases, repair and refurbishment, and cost. Fabrication of net and complex shape components with high density and tailorable matrix properties is quite expensive, and even then various desirable properties are not achievable. In this presentation, a number of examples of successful CMC component development and testing will be provided. In addition, critical need for robust manufacturing, joining and assembly technologies in successful implementation of these systems will be discussed.

High-quality unsaturated zone hydraulic property data for hydrologic applications

USGS Publications Warehouse

Perkins, Kimberlie; Nimmo, John R.

2009-01-01

In hydrologic studies, especially those using dynamic unsaturated zone moisture modeling, calculations based on property transfer models informed by hydraulic property databases are often used in lieu of measured data from the site of interest. Reliance on database-informed predicted values has become increasingly common with the use of neural networks. High-quality data are needed for databases used in this way and for theoretical and property transfer model development and testing. Hydraulic properties predicted on the basis of existing databases may be adequate in some applications but not others. An obvious problem occurs when the available database has few or no data for samples that are closely related to the medium of interest. The data set presented in this paper includes saturated and unsaturated hydraulic conductivity, water retention, particle-size distributions, and bulk properties. All samples are minimally disturbed, all measurements were performed using the same state of the art techniques and the environments represented are diverse.

The Road to Realizing In-Space Manufacturing

NASA Technical Reports Server (NTRS)

Clinton, Raymond G.

2014-01-01

Additive Manufacturing in space offers tremendous potential for dramatic paradigm shift in the development and manufacturing of space architectures. Additive Manufacturing in space offers the potential for mission safety risk reduction for low Earth orbit and deep space exploration; new paradigms for maintenance, repair, and logistics. Leverage ground-based technology developments, process characterization, and material properties databases. Investments are required primarily in the microgravity environment. We must do the foundational work. It's not sexy, but it is required.

Thermophysical properties of hydrophobised lime plaster - Experimental analysis of moisture effect

NASA Astrophysics Data System (ADS)

Pavlíková, Milena; Pernicová, Radka; Pavlík, Zbyšek

2016-07-01

Lime plasters are the most popular finishing materials in renewal of historical buildings and culture monuments. Because of their limited durability, new materials and design solutions are investigated in order to improve plasters performance in harmful environmental conditions. For the practical use, the plasters mechanical resistivity and the compatibility with substrate are the most decisive material parameters. However, also plasters hygric and thermal parameters affecting the overall hygrothermal function of the renovated structures are of the particular importance. On this account, the effect of moisture content on the thermophysical properties of a newly designed lime plasters containing hydrophobic admixture is analysed in the paper. For the comparative purposes, the reference lime and cement-lime plasters are tested as well. Basic characterization of the tested materials is done using bulk density, matrix density, and porosity measurements. Thermal conductivity and volumetric heat capacity in the broad range of moisture content are experimentally accessed using a transient impulse method. The obtained data reveals the significant increase of the both studied thermal parameters with increasing moisture content and gives information on plasters behaviour in a highly humid environment and/or in the case of their possible direct contact with liquid water. The accessed material parameters will be stored in a material database, where can find use as an input data for computational modelling of coupled heat and moisture transport in this type of porous building materials.

PCEMCAN - Probabilistic Ceramic Matrix Composites Analyzer: User's Guide, Version 1.0

NASA Technical Reports Server (NTRS)

Shah, Ashwin R.; Mital, Subodh K.; Murthy, Pappu L. N.

1998-01-01

PCEMCAN (Probabalistic CEramic Matrix Composites ANalyzer) is an integrated computer code developed at NASA Lewis Research Center that simulates uncertainties associated with the constituent properties, manufacturing process, and geometric parameters of fiber reinforced ceramic matrix composites and quantifies their random thermomechanical behavior. The PCEMCAN code can perform the deterministic as well as probabilistic analyses to predict thermomechanical properties. This User's guide details the step-by-step procedure to create input file and update/modify the material properties database required to run PCEMCAN computer code. An overview of the geometric conventions, micromechanical unit cell, nonlinear constitutive relationship and probabilistic simulation methodology is also provided in the manual. Fast probability integration as well as Monte-Carlo simulation methods are available for the uncertainty simulation. Various options available in the code to simulate probabilistic material properties and quantify sensitivity of the primitive random variables have been described. The description of deterministic as well as probabilistic results have been described using demonstration problems. For detailed theoretical description of deterministic and probabilistic analyses, the user is referred to the companion documents "Computational Simulation of Continuous Fiber-Reinforced Ceramic Matrix Composite Behavior," NASA TP-3602, 1996 and "Probabilistic Micromechanics and Macromechanics for Ceramic Matrix Composites", NASA TM 4766, June 1997.

A Review on Recent Patents and Applications of Inorganic Material Binding Peptides.

PubMed

Thota, Veeranjaneyulu; Perry, Carole C

2017-01-01

Although the popularity of using combinatorial display techniques for recognising unique peptides having high affinity for inorganic (nano) particles has grown rapidly, there are no systematic reviews showcasing current developments or patents on binding peptides specific to these materials. In this review, we summarize and discuss recent progress in patents on material binding peptides specifically exploring inorganic nano surfaces such as metals, metal oxides, minerals, carbonbased materials, polymer based materials, magnetic materials and semiconductors. We consider both the peptide display strategies used and the exploitation of the identified peptides in the generation of advanced nanomaterials. In order to get a clear picture on the number of patents and literature present to date relevant to inorganic material binding biomolecules and their applications, a thorough online search was conducted using national and worldwide databases. The literature search include standard bibliographic databases while patents included EPO Espacenet, WIPO patent scope, USPTO, Google patent search, Patent lens, etc. along with commercial databases such as Derwent and Patbase. Both English and American spellings were included in the searches. The initial number of patents found related to material binders were 981. After reading and excluding irrelevant patents such as organic binding peptides, works published before 2001, repeated patents, documents not in English etc., 51 highly relevant patents published from 2001 onwards were selected and analysed. These patents were further separated into six categories based on their target inorganic material and combinatorial library used. They include relevant patents on metal, metal oxide or combination binding peptides (19), magnetic and semiconductor binding peptides (8), carbon based (3), mineral (5), polymer (8) and other binders (9). Further, how these material specific binders have been used to synthesize simple to complex bio- or nano-materials, mediate the controlled biomineralization process, direct self-assembly and nanofabrication of ordered structures, facilitate the immobilization of functional biomolecules and construct inorganic-inorganic or organic-inorganic nano hybrids are concisely described. From analysis of recent literature and patents, we clearly show that biomimetic material binders are in the vanguard of new design approaches for novel nanomaterials with improved/ controlled physical and chemical properties that have no adverse effect on the structural or functional activities of the nanomaterials themselves. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Mechanical Properties and Simulated Aging of Silicone Maxillofacial Elastomers: Advancements in the Past 45 Years.

PubMed

Hatamleh, Muhanad M; Polyzois, Gregory L; Nuseir, Amjad; Hatamleh, Khaldoun; Alnazzawi, Ahmad

2016-07-01

To identify and discuss the findings of publications on mechanical behavior of maxillofacial prosthetic materials published since 1969. Original experimental articles reporting on mechanical properties of maxillofacial prosthetic materials were included. A two-stage search of the literature, electronic and hand search, identified relevant published studies up to May 2015. An extensive electronic search was conducted of databases including PubMed, Embase, Scopus, and Google Scholar. Included primary studies (n = 63) reported on tensile strength, tear strength, and hardness of maxillofacial prosthetic materials at baseline and after aging. The search revealed 63 papers, with more than 28 papers being published in the past 10 years, which shows an increased number of publications when compared to only 6 papers published in the 1970s. The increase is linear with significant correlation (r = 0.85). Such an increase reflects great awareness and continued developments and warrants more research in the field of maxillofacial prosthetic materials properties; however, it is difficult to directly compare results, as studies varied in maxillofacial prosthetic materials tested with various silicone elastomers being heavily investigated, standards followed in preparing test specimens, experimental testing protocols, and parameters used in setting simulated aging conditionings. It is imperative to overcome the existing variability by establishing unified national or international standards/specifications for maxillofacial prosthetic materials. Standardization organizations or bodies, the scientific community, and academia need to be coordinated to achieve this goal. In the meantime and despite all of these theoretically significant alternatives, clinical practice still faces problems with serviceability of maxillofacial prostheses. © 2016 by the American College of Prosthodontists.

A database of new zeolite-like materials.

PubMed

Pophale, Ramdas; Cheeseman, Phillip A; Deem, Michael W

2011-07-21

We here describe a database of computationally predicted zeolite-like materials. These crystals were discovered by a Monte Carlo search for zeolite-like materials. Positions of Si atoms as well as unit cell, space group, density, and number of crystallographically unique atoms were explored in the construction of this database. The database contains over 2.6 M unique structures. Roughly 15% of these are within +30 kJ mol(-1) Si of α-quartz, the band in which most of the known zeolites lie. These structures have topological, geometrical, and diffraction characteristics that are similar to those of known zeolites. The database is the result of refinement by two interatomic potentials that both satisfy the Pauli exclusion principle. The database has been deposited in the publicly available PCOD database and in www.hypotheticalzeolites.net/database/deem/. This journal is © the Owner Societies 2011

Improved Spacecraft Materials for Radiation Shielding

NASA Technical Reports Server (NTRS)

Wilson, J. W.; Shinn, J. L.; Singleterry, R. C.; Tai, H.; Thibeault, S. A.; Simonsen, L. C.; Cucinotta, F. A.; Miller, J.

1999-01-01

In the execution of this proposal, we will first examine current and developing spacecraft materials and evaluate their ability to attenuate adverse biological mutational events in mammalian cell systems and reduce the rate of cancer induction in mice harderian glands as a measure of their protective qualities. The HZETRN code system will be used to generate a database on GCR attenuation in each material. If a third year of funding is granted, the most promising and mission-specific materials will be used to study the impact on mission cost for a typical Mars mission scenario as was planned in our original two year proposal at the original funding level. The most promising candidate materials will be further tested as to their transmission characteristics in Fe and Si ion beams to evaluate the accuracy of the HZETRN transmission factors. Materials deemed critical to mission success may also require testing as well as materials developed by industry for their radiation protective qualities (e.g., Physical Sciences Inc.) A study will be made of designing polymeric materials and composite materials with improved radiation shielding properties as well as the possible improvement of mission-specific materials.

Comparison of the Effect of Curing on the Properties of E-Glass/Cyanate modified Epoxy Cross Plied Laminates

NASA Astrophysics Data System (ADS)

Nallayan, W. Andrew; Vijayakumar, K. R.; Rasheed, Usama Tariq

2017-05-01

High performance polymer composite laminates that are used in Aerospace and Electronics industries requires laminates that are structurally rigid besides exhibiting high stiffness and good di electrical properties. They are required to be transparent to EM waves in order to transmit the signal with almost zero transmission loss. Response of the laminates under different loadings could hence establish a potent material combination with high structural strengths that could be used in sectors dealing with Signal transmissions. The results thus acquired can be used as a database for choosing relatively better materials for Radome and their advanced versions in the coming decades. To augment this, thin laminates with 4 plies with simple stacking configurations of 0/90/0/90 degrees as applicable to a cross plied laminates were fabricated with cyanate ester modified epoxy resin and 1200GSM E glass unidirectional fiber. Flexural and Impact strength were the properties identified for the accessing the structural responses of the Laminate as against room and oven curing conditions. FESEM images were applied to validate the experimental findings.

Reference Fluid Thermodynamic and Transport Properties Database (REFPROP)

National Institute of Standards and Technology Data Gateway

SRD 23 NIST Reference Fluid Thermodynamic and Transport Properties Database (REFPROP) (PC database for purchase)   NIST 23 contains revised data in a Windows version of the database, including 105 pure fluids and allowing mixtures of up to 20 components. The fluids include the environmentally acceptable HFCs, traditional HFCs and CFCs and 'natural' refrigerants like ammonia

Multiscale Modeling of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2: Application to Lattice Thermal Conductivity

NASA Technical Reports Server (NTRS)

Lawson, John W.; Daw, Murray S.; Squire, Thomas H.; Bauschlicher, Charles W.

2012-01-01

We are developing a multiscale framework in computational modeling for the ultra high temperature ceramics (UHTC) ZrB2 and HfB2. These materials are characterized by high melting point, good strength, and reasonable oxidation resistance. They are candidate materials for a number of applications in extreme environments including sharp leading edges of hypersonic aircraft. In particular, we used a combination of ab initio methods, atomistic simulations and continuum computations to obtain insights into fundamental properties of these materials. Ab initio methods were used to compute basic structural, mechanical and thermal properties. From these results, a database was constructed to fit a Tersoff style interatomic potential suitable for atomistic simulations. These potentials were used to evaluate the lattice thermal conductivity of single crystals and the thermal resistance of simple grain boundaries. Finite element method (FEM) computations using atomistic results as inputs were performed with meshes constructed on SEM images thereby modeling the realistic microstructure. These continuum computations showed the reduction in thermal conductivity due to the grain boundary network.

The Development of a Semtex-H Simulant for Terahertz Spectroscopy

NASA Astrophysics Data System (ADS)

Greenall, N.; Valavanis, A.; Desai, H. J.; Acheampong, D. O.; Li, L. H.; Cunningham, J. E.; Davies, A. G.; Linfield, E. H.; Burnett, A. D.

2017-03-01

The development and use of terahertz (THz) frequency spectroscopy systems for security screening has shown an increased growth over the past 15 years. In order to test these systems in real-world situations, safe simulants of illicit materials, such as Semtex-H, are required. Ideally, simulants should mimic key features of the material of interest, such that they at least resemble or even appear indistinguishable from the materials of interest to the interrogating technique(s), whilst not having hazardous or illicit properties. An ideal simulant should have similar physical properties (malleability, density, surface energy and volatility to the material of interest); be non-toxic and easy to clean and decontaminate from surfaces; be recyclable or disposable; and be useable in a public environment. Here, we present a method for developing such an explosive simulant (for Semtex-H) based on a database of THz spectra of common organic molecules, and the use of a genetic algorithm to select a mixture of compounds automatically to form such a simulant. Whilst we focus on a security application, this work could be applied to various other contexts, where the material of interest is dangerous, impractical or costly. We propose four mixtures that could then be used to test the spectral response of any instrument, working at terahertz frequencies, without the need for an explosive substance.

Geologic Map and Map Database of Eastern Sonoma and Western Napa Counties, California

USGS Publications Warehouse

Graymer, R.W.; Brabb, E.E.; Jones, D.L.; Barnes, J.; Nicholson, R.S.; Stamski, R.E.

2007-01-01

Introduction This report contains a new 1:100,000-scale geologic map, derived from a set of geologic map databases (Arc-Info coverages) containing information at 1:62,500-scale resolution, and a new description of the geologic map units and structural relations in the map area. Prepared as part of the San Francisco Bay Region Mapping Project, the study area includes the north-central part of the San Francisco Bay region, and forms the final piece of the effort to generate new, digital geologic maps and map databases for an area which includes Alameda, Contra Costa, Marin, Napa, San Francisco, San Mateo, Santa Clara, Santa Cruz, Solano, and Sonoma Counties. Geologic mapping in Lake County in the north-central part of the map extent was not within the scope of the Project. The map and map database integrates both previously published reports and new geologic mapping and field checking by the authors (see Sources of Data index map on the map sheet or the Arc-Info coverage eswn-so and the textfile eswn-so.txt). This report contains new ideas about the geologic structures in the map area, including the active San Andreas Fault system, as well as the geologic units and their relations. Together, the map (or map database) and the unit descriptions in this report describe the composition, distribution, and orientation of geologic materials and structures within the study area at regional scale. Regional geologic information is important for analysis of earthquake shaking, liquifaction susceptibility, landslide susceptibility, engineering materials properties, mineral resources and hazards, as well as groundwater resources and hazards. These data also assist in answering questions about the geologic history and development of the California Coast Ranges.

49 CFR 837.3 - Published reports, material contained in the public accident investigation dockets, and accident...

Code of Federal Regulations, 2014 CFR

2014-10-01

... public accident investigation dockets, and accident database data. 837.3 Section 837.3 Transportation... investigation dockets, and accident database data. (a) Demands for material contained in the NTSB's official public docket files of its accident investigations, or its computerized accident database(s) shall be...

49 CFR 837.3 - Published reports, material contained in the public accident investigation dockets, and accident...

Code of Federal Regulations, 2012 CFR

2012-10-01

... public accident investigation dockets, and accident database data. 837.3 Section 837.3 Transportation... investigation dockets, and accident database data. (a) Demands for material contained in the NTSB's official public docket files of its accident investigations, or its computerized accident database(s) shall be...

49 CFR 837.3 - Published reports, material contained in the public accident investigation dockets, and accident...

Code of Federal Regulations, 2010 CFR

2010-10-01

... public accident investigation dockets, and accident database data. 837.3 Section 837.3 Transportation... investigation dockets, and accident database data. (a) Demands for material contained in the NTSB's official public docket files of its accident investigations, or its computerized accident database(s) shall be...

49 CFR 837.3 - Published reports, material contained in the public accident investigation dockets, and accident...

Code of Federal Regulations, 2013 CFR

2013-10-01

... public accident investigation dockets, and accident database data. 837.3 Section 837.3 Transportation... investigation dockets, and accident database data. (a) Demands for material contained in the NTSB's official public docket files of its accident investigations, or its computerized accident database(s) shall be...

49 CFR 837.3 - Published reports, material contained in the public accident investigation dockets, and accident...

Code of Federal Regulations, 2011 CFR

2011-10-01

... public accident investigation dockets, and accident database data. 837.3 Section 837.3 Transportation... investigation dockets, and accident database data. (a) Demands for material contained in the NTSB's official public docket files of its accident investigations, or its computerized accident database(s) shall be...

A Summary of Pavement and Material-Related Databases within the Texas Department of Transportation

DOT National Transportation Integrated Search

1999-09-01

This report summarizes important content and operational details about five different materials and pavement databases currently used by the Texas Department of Transportation (TxDOT). These databases include the Pavement Management Information Syste...

Annual Review of Database Development: 1992.

ERIC Educational Resources Information Center

Basch, Reva

1992-01-01

Reviews recent trends in databases and online systems. Topics discussed include new access points for established databases; acquisitions, consolidations, and competition between vendors; European coverage; international services; online reference materials, including telephone directories; political and legal materials and public records;…

Scientific information repository assisting reflectance spectrometry in legal medicine.

PubMed

Belenki, Liudmila; Sterzik, Vera; Bohnert, Michael; Zimmermann, Klaus; Liehr, Andreas W

2012-06-01

Reflectance spectrometry is a fast and reliable method for the characterization of human skin if the spectra are analyzed with respect to a physical model describing the optical properties of human skin. For a field study performed at the Institute of Legal Medicine and the Freiburg Materials Research Center of the University of Freiburg, a scientific information repository has been developed, which is a variant of an electronic laboratory notebook and assists in the acquisition, management, and high-throughput analysis of reflectance spectra in heterogeneous research environments. At the core of the repository is a database management system hosting the master data. It is filled with primary data via a graphical user interface (GUI) programmed in Java, which also enables the user to browse the database and access the results of data analysis. The latter is carried out via Matlab, Python, and C programs, which retrieve the primary data from the scientific information repository, perform the analysis, and store the results in the database for further usage.

Polarimetric Scattering Database for Non-spherical Ice Particles at Microwave Wavelengths

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aydin, Kultegin; Verlinde, Johannes; Clothiaux, Eugene

A database containing polarimetric single-scattering properties of various types of ice particles at millimeter to centimeter wavelengths is presented. This database is complementary to earlier ones in that it contains complete (polarimetric) scattering property information for each ice particle - 44 plates, 30 columns, 405 branched planar crystals, 660 aggregates, and 640 conical graupel - and direction of incident radiation but is limited to four frequencies (W-, Ka-, Ku- and X-bands), does not include temperature dependencies of the single-scattering properties and does not include scattering properties averaged over randomly oriented ice particles. Rules for constructing the morphologies of ice particlesmore » from one database to the next often differ; consequently, analyses that incorporate all of the different databases will contain the most variability, while illuminating important differences between them.« less

The Halophile protein database.

PubMed

Sharma, Naveen; Farooqi, Mohammad Samir; Chaturvedi, Krishna Kumar; Lal, Shashi Bhushan; Grover, Monendra; Rai, Anil; Pandey, Pankaj

2014-01-01

Halophilic archaea/bacteria adapt to different salt concentration, namely extreme, moderate and low. These type of adaptations may occur as a result of modification of protein structure and other changes in different cell organelles. Thus proteins may play an important role in the adaptation of halophilic archaea/bacteria to saline conditions. The Halophile protein database (HProtDB) is a systematic attempt to document the biochemical and biophysical properties of proteins from halophilic archaea/bacteria which may be involved in adaptation of these organisms to saline conditions. In this database, various physicochemical properties such as molecular weight, theoretical pI, amino acid composition, atomic composition, estimated half-life, instability index, aliphatic index and grand average of hydropathicity (Gravy) have been listed. These physicochemical properties play an important role in identifying the protein structure, bonding pattern and function of the specific proteins. This database is comprehensive, manually curated, non-redundant catalogue of proteins. The database currently contains 59 897 proteins properties extracted from 21 different strains of halophilic archaea/bacteria. The database can be accessed through link. Database URL: http://webapp.cabgrid.res.in/protein/ © The Author(s) 2014. Published by Oxford University Press.

Effect of biomaterials on angiogenesis during vital pulp therapy

PubMed Central

SAGHIRI, Mohammad Ali; ASATOURIAN, Armen; GARCIA-GODOY, Franklin; SHEIBANI, Nader

2016-01-01

This review intended to provide an overview of the effects of dental materials, used in dentin-pulp complex and dental pulp regeneration, on angiogenesis processes during regenerative endodontic procedures. An electronic search was performed in PubMed and MEDLINE databases via OVID using the keywords mentioned in the PubMed and MeSH headings for English language published articles from January 2005–April 2014 that evaluated the angiogenic properties of different dental materials used in regenerative endodontic procedures. Of the articles identified in an initial search, only 40 articles met the inclusion criteria set for this review. Vital pulp therapy materials might have positive effects on angiogenesis events, while most of the canal irrigating solutions and antibiotic pastes have anti-angiogenic activity except for EDTA. Future clinical studies will be helpful in defining the mechanisms of action for dental materials that promote or inhibit angiogenesis events at applied areas. PMID:27546854

The radiopurity.org material database

NASA Astrophysics Data System (ADS)

Cooley, J.; Loach, J. C.; Poon, A. W. P.

2018-01-01

The database at http://www.radiopurity.org is the world's largest public database of material radio-purity mea-surements. These measurements are used by members of the low-background physics community to build experiments that search for neutrinos, neutrinoless double-beta decay, WIMP dark matter, and other exciting physics. This paper summarizes the current status and the future plan of this database.

NAVAIR Portable Source Initiative (NPSI) Standard for Material Properties Reference Database (MPRD) V2.2

DTIC Science & Technology

2012-09-26

format; however, the collective identity and structure of the object are lost. In contrast, XML preserves the structure of the object by using custom...2.1.1 Classes  ROCK  SOIL  MINERAL  VEGETATION  COATING  LIQUID  METAL  CONSTRUCTION  PLASTIC  WOOD  GLASS  FABRIC...2.1.2 Subclasses Subclasses are created using relevant taxonomy from the authority in a particular class. Some examples of subclasses nomenclature in

The crystal chemistry of inorganic metal borohydrides and their relation to metal oxides.

PubMed

Černý, Radovan; Schouwink, Pascal

2015-12-01

The crystal structures of inorganic homoleptic metal borohydrides are analysed with respect to their structural prototypes found amongst metal oxides in the inorganic databases such as Pearson's Crystal Data [Villars & Cenzual (2015). Pearson's Crystal Data. Crystal Structure Database for Inorganic Compounds, Release 2014/2015, ASM International, Materials Park, Ohio, USA]. The coordination polyhedra around the cations and the borohydride anion are determined, and constitute the basis of the structural systematics underlying metal borohydride chemistry in various frameworks and variants of ionic packing, including complex anions and the packing of neutral molecules in the crystal. Underlying nets are determined by topology analysis using the program TOPOS [Blatov (2006). IUCr CompComm. Newsl. 7, 4-38]. It is found that the Pauling rules for ionic crystals apply to all non-molecular borohydride crystal structures, and that the latter can often be derived by simple deformation of the close-packed anionic lattices c.c.p. and h.c.p., by partially removing anions and filling tetrahedral or octahedral sites. The deviation from an ideal close packing is facilitated in metal borohydrides with respect to the oxide due to geometrical and electronic considerations of the BH4(-) anion (tetrahedral shape, polarizability). This review on crystal chemistry of borohydrides and their similarity to oxides is a contribution which should serve materials engineers as a roadmap to design new materials, synthetic chemists in their search for promising compounds to be prepared, and materials scientists in understanding the properties of novel materials.

Exploration of Global Trend on Biomedical Application of Polyhydroxyalkanoate (PHA): A Patent Survey.

PubMed

Ponnaiah, Paulraj; Vnoothenei, Nagiah; Chandramohan, Muruganandham; Thevarkattil, Mohamed Javad Pazhayakath

2018-01-30

Polyhydroxyalkanoates are bio-based, biodegradable naturally occurring polymers produced by a wide range of organisms, from bacteria to higher mammals. The properties and biocompatibility of PHA make it possible for a wide spectrum of applications. In this context, we analyze the potential applications of PHA in biomedical science by exploring the global trend through the patent survey. The survey suggests that PHA is an attractive candidate in such a way that their applications are widely distributed in the medical industry, drug delivery system, dental material, tissue engineering, packaging material as well as other useful products. In our present study, we explored patents associated with various biomedical applications of polyhydroxyalkanoates. Patent databases of European Patent Office, United States Patent and Trademark Office and World Intellectual Property Organization were mined. We developed an intensive exploration approach to eliminate overlapping patents and sort out significant patents. We demarcated the keywords and search criterions and established search patterns for the database request. We retrieved documents within the recent 6 years, 2010 to 2016 and sort out the collected data stepwise to gather the most appropriate documents in patent families for further scrutiny. By this approach, we retrieved 23,368 patent documents from all the three databases and the patent titles were further analyzed for the relevance of polyhydroxyalkanoates in biomedical applications. This ensued in the documentation of approximately 226 significant patents associated with biomedical applications of polyhydroxyalkanoates and the information was classified into six major groups. Polyhydroxyalkanoates has been patented in such a way that their applications are widely distributed in the medical industry, drug delivery system, dental material, tissue engineering, packaging material as well as other useful products. There are many avenues through which PHA & PHB could be used. Our analysis shows patent information can be used to identify various applications of PHA and its representatives in the biomedical field. Upcoming studies can focus on the application of PHA in the different field to discover the related topics and associate to this study. We believe that this approach of analysis and findings can initiate new researchers to undertake similar kind of studies in their represented field to fill the gap between the patent articles and researchpublications. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

From Intensity Profile to Surface Normal: Photometric Stereo for Unknown Light Sources and Isotropic Reflectances.

PubMed

Lu, Feng; Matsushita, Yasuyuki; Sato, Imari; Okabe, Takahiro; Sato, Yoichi

2015-10-01

We propose an uncalibrated photometric stereo method that works with general and unknown isotropic reflectances. Our method uses a pixel intensity profile, which is a sequence of radiance intensities recorded at a pixel under unknown varying directional illumination. We show that for general isotropic materials and uniformly distributed light directions, the geodesic distance between intensity profiles is linearly related to the angular difference of their corresponding surface normals, and that the intensity distribution of the intensity profile reveals reflectance properties. Based on these observations, we develop two methods for surface normal estimation; one for a general setting that uses only the recorded intensity profiles, the other for the case where a BRDF database is available while the exact BRDF of the target scene is still unknown. Quantitative and qualitative evaluations are conducted using both synthetic and real-world scenes, which show the state-of-the-art accuracy of smaller than 10 degree without using reference data and 5 degree with reference data for all 100 materials in MERL database.

Creating a normative database of age-specific 3D geometrical data, bone density, and bone thickness of the developing skull: a pilot study.

PubMed

Delye, Hans; Clijmans, Tim; Mommaerts, Maurice Yves; Sloten, Jos Vnder; Goffin, Jan

2015-12-01

Finite element models (FEMs) of the head are used to study the biomechanics of traumatic brain injury and depend heavily on the use of accurate material properties and head geometry. Any FEM aimed at investigating traumatic head injury in children should therefore use age-specific dimensions of the head, as well as age-specific material properties of the different tissues. In this study, the authors built a database of age-corrected skull geometry, skull thickness, and bone density of the developing skull to aid in the development of an age-specific FEM of a child's head. Such a database, containing age-corrected normative skull geometry data, can also be used for preoperative surgical planning and postoperative long-term follow-up of craniosynostosis surgery results. Computed tomography data were processed for 187 patients (age range 0-20 years old). A 3D surface model was calculated from segmented skull surfaces. Skull models, reference points, and sutures were processed into a MATLAB-supported database. This process included automatic calculation of 2D measurements as well as 3D measurements: length of the coronal suture, length of the lambdoid suture, and the 3D anterior-posterior length, defined as the sum of the metopic and sagittal suture. Skull thickness and skull bone density calculations were included. Cephalic length, cephalic width, intercoronal distance, lateral orbital distance, intertemporal distance, and 3D measurements were obtained, confirming the well-established general growth pattern of the skull. Skull thickness increases rapidly in the first year of life, slowing down during the second year of life, while skull density increases with a fast but steady pace during the first 3 years of life. Both skull thickness and density continue to increase up to adulthood. This is the first report of normative data on 2D and 3D measurements, skull bone thickness, and skull bone density for children aged 0-20 years. This database can help build an age-specific FEM of a child's head. It can also help to tailor preoperative virtual planning in craniosynostosis surgery toward patient-specific normative target values and to perform objective long-term follow-up in craniosynostosis surgery.

Measurement and Validation of Bidirectional Reflectance of Space Shuttle and Space Station Materials for Computerized Lighting Models

NASA Technical Reports Server (NTRS)

Fletcher, Lauren E.; Aldridge, Ann M.; Wheelwright, Charles; Maida, James

1997-01-01

Task illumination has a major impact on human performance: What a person can perceive in his environment significantly affects his ability to perform tasks, especially in space's harsh environment. Training for lighting conditions in space has long depended on physical models and simulations to emulate the effect of lighting, but such tests are expensive and time-consuming. To evaluate lighting conditions not easily simulated on Earth, personnel at NASA Johnson Space Center's (JSC) Graphics Research and Analysis Facility (GRAF) have been developing computerized simulations of various illumination conditions using the ray-tracing program, Radiance, developed by Greg Ward at Lawrence Berkeley Laboratory. Because these computer simulations are only as accurate as the data used, accurate information about the reflectance properties of materials and light distributions is needed. JSC's Lighting Environment Test Facility (LETF) personnel gathered material reflectance properties for a large number of paints, metals, and cloths used in the Space Shuttle and Space Station programs, and processed these data into reflectance parameters needed for the computer simulations. They also gathered lamp distribution data for most of the light sources used, and validated the ability to accurately simulate lighting levels by comparing predictions with measurements for several ground-based tests. The result of this study is a database of material reflectance properties for a wide variety of materials, and lighting information for most of the standard light sources used in the Shuttle/Station programs. The combination of the Radiance program and GRAF's graphics capability form a validated computerized lighting simulation capability for NASA.

BP network identification technology of infrared polarization based on fuzzy c-means clustering

NASA Astrophysics Data System (ADS)

Zeng, Haifang; Gu, Guohua; He, Weiji; Chen, Qian; Yang, Wei

2011-08-01

Infrared detection system is frequently employed on surveillance operations and reconnaissance mission to detect particular targets of interest in both civilian and military communities. By incorporating the polarization of light as supplementary information, the target discrimination performance could be enhanced. So this paper proposed an infrared target identification method which is based on fuzzy theory and neural network with polarization properties of targets. The paper utilizes polarization degree and light intensity to advance the unsupervised KFCM (kernel fuzzy C-Means) clustering method. And establish different material pol1arization properties database. In the built network, the system can feedback output corresponding material types of probability distribution toward any input polarized degree such as 10° 15°, 20°, 25°, 30°. KFCM, which has stronger robustness and accuracy than FCM, introduces kernel idea and gives the noise points and invalid value different but intuitively reasonable weights. Because of differences in characterization of material properties, there will be some conflicts in classification results. And D - S evidence theory was used in the combination of the polarization and intensity information. Related results show KFCM clustering precision and operation rate are higher than that of the FCM clustering method. The artificial neural network method realizes material identification, which reasonable solved the problems of complexity in environmental information of infrared polarization, and improperness of background knowledge and inference rule. This method of polarization identification is fast in speed, good in self-adaption and high in resolution.

Glass Development for Treatment of LANL Evaporator Bottoms Waste

DOE Office of Scientific and Technical Information (OSTI.GOV)

DE Smith; GF Piepel; GW Veazey

1998-11-20

Vitrification is an attractive treatment option for meeting the stabilization and final disposal requirements of many plutonium (Pu) bearing materials and wastes at the Los Alamos National Laboratory (LANL) TA-55 facility, Rocky Flats Environmental Technology Site (RFETS), Hanford, and other Department of Energy (DOE) sites. The Environmental Protection Agency (EPA) has declared that vitrification is the "best demonstrated available technology" for high- level radioactive wastes (HLW) (Federal Register 1990) and has produced a handbook of vitriilcation technologies for treatment of hazardous and radioactive waste (US EPA, 1992). This technology has been demonstrated to convert Pu-containing materials (Kormanos, 1997) into durablemore » (Lutze, 1988) and accountable (Forsberg, 1995) waste. forms with reduced need for safeguarding (McCulhun, 1996). The composition of the Evaporator Bottoms Waste (EVB) at LANL, like that of many other I%-bearing materials, varies widely and is generally unpredictable. The goal of this study is to optimize the composition of glass for EVB waste at LANL, and present the basic techniques and tools for developing optimized glass compositions for other Pu-bearing materials in the complex. This report outlines an approach for glass formulation with fixed property restrictions, using glass property-composition databases. This approach is applicable to waste glass formulation for many variable waste streams and vitrification technologies.. Also reported are the preliminary property data for simulated evaporator bottom glasses, including glass viscosity and glass leach resistance using the Toxicity Characteristic Leaching Procedure (TCLP).« less

Process compensated resonance testing modeling for damage evolution and uncertainty quantification

NASA Astrophysics Data System (ADS)

Biedermann, Eric; Heffernan, Julieanne; Mayes, Alexander; Gatewood, Garrett; Jauriqui, Leanne; Goodlet, Brent; Pollock, Tresa; Torbet, Chris; Aldrin, John C.; Mazdiyasni, Siamack

2017-02-01

Process Compensated Resonance Testing (PCRT) is a nondestructive evaluation (NDE) method based on the fundamentals of Resonant Ultrasound Spectroscopy (RUS). PCRT is used for material characterization, defect detection, process control and life monitoring of critical gas turbine engine and aircraft components. Forward modeling and model inversion for PCRT have the potential to greatly increase the method's material characterization capability while reducing its dependence on compiling a large population of physical resonance measurements. This paper presents progress on forward modeling studies for damage mechanisms and defects in common to structural materials for gas turbine engines. Finite element method (FEM) models of single crystal (SX) Ni-based superalloy Mar-M247 dog bones and Ti-6Al-4V cylindrical bars were created, and FEM modal analyses calculated the resonance frequencies for the samples in their baseline condition. Then the frequency effects of superalloy creep (high-temperature plastic deformation) and macroscopic texture (preferred crystallographic orientation of grains detrimental to fatigue properties) were evaluated. A PCRT sorting module for creep damage in Mar-M247 was trained with a virtual database made entirely of modeled design points. The sorting module demonstrated successful discrimination of design points with as little as 1% creep strain in the gauge section from a population of acceptable design points with a range of material and geometric variation. The resonance frequency effects of macro-scale texture in Ti-6Al-4V were quantified with forward models of cylinder samples. FEM-based model inversion was demonstrated for Mar-M247 bulk material properties and variations in crystallographic orientation. PCRT uncertainty quantification (UQ) was performed using Monte Carlo studies for Mar-M247 that quantified the overall uncertainty in resonance frequencies resulting from coupled variation in geometry, material properties, crystallographic orientation and creep damage. A model calibration process was also developed that evaluates inversion fitting to differences from a designated reference sample rather than absolute property values, yielding a reduction in fit error.

StimulStat: A lexical database for Russian.

PubMed

Alexeeva, Svetlana; Slioussar, Natalia; Chernova, Daria

2017-12-07

In this article, we present StimulStat - a lexical database for the Russian language in the form of a web application. The database contains more than 52,000 of the most frequent Russian lemmas and more than 1.7 million word forms derived from them. These lemmas and forms are characterized according to more than 70 properties that were demonstrated to be relevant for psycholinguistic research, including frequency, length, phonological and grammatical properties, orthographic and phonological neighborhood frequency and size, grammatical ambiguity, homonymy and polysemy. Some properties were retrieved from various dictionaries and are presented collectively in a searchable form for the first time, the others were computed specifically for the database. The database can be accessed freely at http://stimul.cognitivestudies.ru .

Detection and quantification of creep strain using process compensated resonance testing (PCRT) sorting modules trained with modeled resonance spectra

NASA Astrophysics Data System (ADS)

Heffernan, Julieanne; Biedermann, Eric; Mayes, Alexander; Livings, Richard; Jauriqui, Leanne; Goodlet, Brent; Aldrin, John C.; Mazdiyasni, Siamack

2018-04-01

Process Compensated Resonant Testing (PCRT) is a full-body nondestructive testing (NDT) method that measures the resonance frequencies of a part and correlates them to the part's material and/or damage state. PCRT testing is used in the automotive, aerospace, and power generation industries via automated PASS/FAIL inspections to distinguish parts with nominal process variation from those with the defect(s) of interest. Traditional PCRT tests are created through the statistical analysis of populations of "good" and "bad" parts. However, gathering a statistically significant number of parts can be costly and time-consuming, and the availability of defective parts may be limited. This work uses virtual databases of good and bad parts to create two targeted PCRT inspections for single crystal (SX) nickel-based superalloy turbine blades. Using finite element (FE) models, populations were modeled to include variations in geometric dimensions, material properties, crystallographic orientation, and creep damage. Model results were verified by comparing the frequency variation in the modeled populations with the measured frequency variations of several physical blade populations. Additionally, creep modeling results were verified through the experimental evaluation of coupon geometries. A virtual database of resonance spectra was created from the model data. The virtual database was used to create PCRT inspections to detect crystallographic defects and creep strain. Quantification of creep strain values using the PCRT inspection results was also demonstrated.

A Review on the Potential Use of Austenitic Stainless Steels in Nuclear Fusion Reactors

NASA Astrophysics Data System (ADS)

Şahin, Sümer; Übeyli, Mustafa

2008-12-01

Various engineering materials; austenitic stainless steels, ferritic/martensitic steels, vanadium alloys, refractory metals and composites have been suggested as candidate structural materials for nuclear fusion reactors. Among these structural materials, austenitic steels have an advantage of extensive technological database and lower cost compared to other non-ferrous candidates. Furthermore, they have also advantages of very good mechanical properties and fission operation experience. Moreover, modified austenitic stainless (Ni and Mo free) have relatively low residual radioactivity. Nevertheless, they can't withstand high neutron wall load which is required to get high power density in fusion reactors. On the other hand, a protective flowing liquid wall between plasma and solid first wall in these reactors can eliminate this restriction. This study presents an overview of austenitic stainless steels considered to be used in fusion reactors.

Engineering management technologies of increasing energy efficiency processes in the investment and construction projects

NASA Astrophysics Data System (ADS)

Borisovich Zelentsov, Leonid; Dmitrievna Mailyan, Liya; Sultanovich Shogenov, Murat

2017-10-01

The article deals with the problems of using the energy-efficient materials and engineering technologies during the construction of buildings and structures. As the analysis showed, one of the most important problems in this sphere is the infringement of production technologies working with energy-efficient materials. To improve the given situation, it is offered to set a technological normal at the design stage by means of working out the technological maps studying the set and the succession of operations in details, taking in mind the properties of energy-efficient materials. At Don State Technical University (DSTU) the intelligent systems of management are being developed providing organizational and technological and also informational integration of design and production stages by means of creating the single database of technological maps, volumes of work and resources.

Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening.

PubMed

Altintas, Cigdem; Avci, Gokay; Daglar, Hilal; Nemati Vesali Azar, Ayda; Velioglu, Sadiye; Erucar, Ilknur; Keskin, Seda

2018-05-23

Metal-organic frameworks (MOFs) are potential adsorbents for CO 2 capture. Because thousands of MOFs exist, computational studies become very useful in identifying the top performing materials for target applications in a time-effective manner. In this study, molecular simulations were performed to screen the MOF database to identify the best materials for CO 2 separation from flue gas (CO 2 /N 2 ) and landfill gas (CO 2 /CH 4 ) under realistic operating conditions. We validated the accuracy of our computational approach by comparing the simulation results for the CO 2 uptakes, CO 2 /N 2 and CO 2 /CH 4 selectivities of various types of MOFs with the available experimental data. Binary CO 2 /N 2 and CO 2 /CH 4 mixture adsorption data were then calculated for the entire MOF database. These data were then used to predict selectivity, working capacity, regenerability, and separation potential of MOFs. The top performing MOF adsorbents that can separate CO 2 /N 2 and CO 2 /CH 4 with high performance were identified. Molecular simulations for the adsorption of a ternary CO 2 /N 2 /CH 4 mixture were performed for these top materials to provide a more realistic performance assessment of MOF adsorbents. The structure-performance analysis showed that MOFs with Δ Q st 0 > 30 kJ/mol, 3.8 Å < pore-limiting diameter < 5 Å, 5 Å < largest cavity diameter < 7.5 Å, 0.5 < ϕ < 0.75, surface area < 1000 m 2 /g, and ρ > 1 g/cm 3 are the best candidates for selective separation of CO 2 from flue gas and landfill gas. This information will be very useful to design novel MOFs exhibiting high CO 2 separation potentials. Finally, an online, freely accessible database https://cosmoserc.ku.edu.tr was established, for the first time in the literature, which reports all of the computed adsorbent metrics of 3816 MOFs for CO 2 /N 2 , CO 2 /CH 4 , and CO 2 /N 2 /CH 4 separations in addition to various structural properties of MOFs.

Elastic-Plastic J-Integral Solutions or Surface Cracks in Tension Using an Interpolation Methodology. Appendix C -- Finite Element Models Solution Database File, Appendix D -- Benchmark Finite Element Models Solution Database File

NASA Technical Reports Server (NTRS)

Allen, Phillip A.; Wells, Douglas N.

2013-01-01

No closed form solutions exist for the elastic-plastic J-integral for surface cracks due to the nonlinear, three-dimensional nature of the problem. Traditionally, each surface crack must be analyzed with a unique and time-consuming nonlinear finite element analysis. To overcome this shortcoming, the authors have developed and analyzed an array of 600 3D nonlinear finite element models for surface cracks in flat plates under tension loading. The solution space covers a wide range of crack shapes and depths (shape: 0.2 less than or equal to a/c less than or equal to 1, depth: 0.2 less than or equal to a/B less than or equal to 0.8) and material flow properties (elastic modulus-to-yield ratio: 100 less than or equal to E/ys less than or equal to 1,000, and hardening: 3 less than or equal to n less than or equal to 20). The authors have developed a methodology for interpolating between the goemetric and material property variables that allows the user to reliably evaluate the full elastic-plastic J-integral and force versus crack mouth opening displacement solution; thus, a solution can be obtained very rapidly by users without elastic-plastic fracture mechanics modeling experience. Complete solutions for the 600 models and 25 additional benchmark models are provided in tabular format.

Screening possible solid electrolytes by calculating the conduction pathways using Bond Valence method

NASA Astrophysics Data System (ADS)

Gao, Jian; Chu, Geng; He, Meng; Zhang, Shu; Xiao, RuiJuan; Li, Hong; Chen, LiQuan

2014-08-01

Inorganic solid electrolytes have distinguished advantages in terms of safety and stability, and are promising to substitute for conventional organic liquid electrolytes. However, low ionic conductivity of typical candidates is the key problem. As connective diffusion path is the prerequisite for high performance, we screen for possible solid electrolytes from the 2004 International Centre for Diffraction Data (ICDD) database by calculating conduction pathways using Bond Valence (BV) method. There are 109846 inorganic crystals in the 2004 ICDD database, and 5295 of them contain lithium. Except for those with toxic, radioactive, rare, or variable valence elements, 1380 materials are candidates for solid electrolytes. The rationality of the BV method is approved by comparing the existing solid electrolytes' conduction pathways we had calculated with those from experiments or first principle calculations. The implication for doping and substitution, two important ways to improve the conductivity, is also discussed. Among them Li2CO3 is selected for a detailed comparison, and the pathway is reproduced well with that based on the density functional studies. To reveal the correlation between connectivity of pathways and conductivity, α/ γ-LiAlO2 and Li2CO3 are investigated by the impedance spectrum as an example, and many experimental and theoretical studies are in process to indicate the relationship between property and structure. The BV method can calculate one material within a few minutes, providing an efficient way to lock onto targets from abundant data, and to investigate the structure-property relationship systematically.

Database on pharmacophore analysis of active principles, from medicinal plants

PubMed Central

Pitchai, Daisy; Manikkam, Rajalakshmi; Rajendran, Sasikala R; Pitchai, Gnanamani

2010-01-01

Plants continue to be a major source of medicines, as they have been throughout human history. In the present days, drug discovery from plants involves a multidisciplinary approach combining ethnobotanical, phytochemical and biological techniques to provide us new chemical compounds (lead molecules) for the development of drugs against various pharmacological targets, including cancer, diabetes and its secondary complications. In view of this need in current drug discovery from medicinal plants, here we describe another web database containing the information of pharmacophore analysis of active principles possessing antidiabetic, antimicrobial, anticancerous and antioxidant properties from medicinal plants. The database provides the botanical, taxonomic classification, biochemical as well as pharmacological properties of medicinal plants. Data on antidiabetic, antimicrobial, anti oxidative, anti tumor and anti inflammatory compounds, and their physicochemical properties, SMILES Notation, Lipinski's properties are included in our database. One of the proposed features in the database is the predicted ADMET values and the interaction of bioactive compounds to the target protein. The database alphabetically lists the compound name and also provides tabs separating for anti microbial, antitumor, antidiabetic, and antioxidative compounds. Availability http://www.hccbif.info / PMID:21346859

Development and application of basis database for materials life cycle assessment in china

NASA Astrophysics Data System (ADS)

Li, Xiaoqing; Gong, Xianzheng; Liu, Yu

2017-03-01

As the data intensive method, high quality environmental burden data is an important premise of carrying out materials life cycle assessment (MLCA), and the reliability of data directly influences the reliability of the assessment results and its application performance. Therefore, building Chinese MLCA database is the basic data needs and technical supports for carrying out and improving LCA practice. Firstly, some new progress on database which related to materials life cycle assessment research and development are introduced. Secondly, according to requirement of ISO 14040 series standards, the database framework and main datasets of the materials life cycle assessment are studied. Thirdly, MLCA data platform based on big data is developed. Finally, the future research works were proposed and discussed.

Enhancing AFLOW Visualization using Jmol

NASA Astrophysics Data System (ADS)

Lanasa, Jacob; New, Elizabeth; Stefek, Patrik; Honaker, Brigette; Hanson, Robert; Aflow Collaboration

The AFLOW library is a database of theoretical solid-state structures and calculated properties created using high-throughput ab initio calculations. Jmol is a Java-based program capable of visualizing and analyzing complex molecular structures and energy landscapes. In collaboration with the AFLOW consortium, our goal is the enhancement of the AFLOWLIB database through the extension of Jmol's capabilities in the area of materials science. Modifications made to Jmol include the ability to read and visualize AFLOW binary alloy data files, the ability to extract from these files information using Jmol scripting macros that can be utilized in the creation of interactive web-based convex hull graphs, the capability to identify and classify local atomic environments by symmetry, and the ability to search one or more related crystal structures for atomic environments using a novel extension of inorganic polyhedron-based SMILES strings

Mechanical characteristic and biological behaviour of implanted and restorative bioglasses used in medicine and dentistry: A systematic review.

PubMed

Lizzi, F; Villat, C; Attik, N; Jackson, P; Grosgogeat, B; Goutaudier, C

2017-06-01

Nowadays bioactive glasses are finding increasing applications in medical practice due to their ability to stimulate re-mineralisation. However, they are intrinsically brittle materials and the study of new compositions will open up new scenarios enhancing their mechanical properties and maintaining the high bioactivity for a broader range of applications. This systematic review aims to identify the relationship between the composition of bioactive glasses used in medical applications and their influence on the mechanical and biological properties. Various electronic databases (PubMed, Science Direct) were used for collecting articles on this subject. This research includes papers from January 2011 to March 2016. PRISMA guidelines for systematic review and meta-analysis have been used. 109 abstracts were collected and screened, 68 articles were read as relevant articles and a total of 22 papers were finally selected for this study. Most of the studies obtained enhanced mechanical properties and the conservation of bioactivity behaviours; although a lack of homogeneity in the characterization methods makes it difficult to compare data. New compositions of bioactive glasses incorporating specific ions and the addition in polymers will be the most important direction for future researches in developing new materials for medical applications and especially for dentistry. Copyright © 2017 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Characterization of Radiation Fields in Biological Shields of Nuclear Power Plants for Assessing Concrete Degradation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Remec, Igor; Rosseel, Thomas M; Field, Kevin G

Life extensions of nuclear power plants to 60 and potentially 80 years of operation have renewed interest in long-term material degradation. One material being considered is concrete with a particular focus on radiation-induced effects. Based on the projected neutron fluence (E > 0.1 MeV) values in the concrete biological shields of the US PWR fleet and the available data on radiation effects on concrete, some decrease in mechanical properties of concrete cannot be ruled out during extended operation beyond 60 years. An expansion of the irradiated concrete database and a reliable determination of relevant neutron fluence energy cutoff value aremore » necessary to assure reliable risk assessment for NPPs extended operation.« less

AGC 2 Irradiation Creep Strain Data Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Windes, William E.; Rohrbaugh, David T.; Swank, W. David

2016-08-01

The Advanced Reactor Technologies Graphite Research and Development Program is conducting an extensive graphite irradiation experiment to provide data for licensing of a high temperature reactor (HTR) design. In past applications, graphite has been used effectively as a structural and moderator material in both research and commercial high temperature gas cooled reactor designs. Nuclear graphite H-451, used previously in the United States for nuclear reactor graphite components, is no longer available. New nuclear graphite grades have been developed and are considered suitable candidates for new HTR reactor designs. To support the design and licensing of HTR core components within amore » commercial reactor, a complete properties database must be developed for these current grades of graphite. Quantitative data on in service material performance are required for the physical, mechanical, and thermal properties of each graphite grade, with a specific emphasis on data accounting for the life limiting effects of irradiation creep on key physical properties of the HTR candidate graphite grades. Further details on the research and development activities and associated rationale required to qualify nuclear grade graphite for use within the HTR are documented in the graphite technology research and development plan.« less

Analysis of thermohydraulic explosion energetics

NASA Astrophysics Data System (ADS)

Büttner, Ralf; Zimanowski, Bernd; Mohrholz, Chris-Oliver; Kümmel, Reiner

2005-08-01

Thermohydraulic explosion, caused by direct contact of hot liquids with cold water, represent a major danger of volcanism and in technical processes. Based on experimental observations and nonequilibrium thermodynamics we propose a model of heat transfer from the hot liquid to the water during the thermohydraulic fragmentation process. The model was validated using the experimentally observed thermal energy release. From a database of more than 1000 experimental runs, conducted during the last 20 years, a standardized entrapment experiment was defined, where a conversion of 1 MJ/kg of thermal energy to kinetic energy within 700μs is observed. The results of the model calculations are in good agreement with this value. Furthermore, the model was found to be robust with respect to the material properties of the hot melt, which also is observed in experiments using different melt compositions. As the model parameters can be easily obtained from size and shape properties of the products of thermohydraulic explosions and from material properties of the hot melt, we believe that this method will not only allow a better analysis of volcanic eruptions or technical accidents, but also significantly improve the quality of hazard assessment and mitigation.

P2Pro(RSM) : a computerized management tool for implementing DOE's authorized release process for radioactive scrap metals.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arnish, J.; Chen, S. Y.; Kamboj, S.

1999-07-22

Within the next few decades, several hundred thousand tons of metal and several million cubic meters of concrete are expected to be removed from nuclear facilities across the US Department of Energy (DOE) complex as a result of decontamination and decommissioning (D&D) activities. These materials, together with large quantities of tools, equipment, and other items that are commonly recovered from site cleanup or D&D activities, constitute non-real properties that warrant consideration for release from regulatory control for reuse or recycle, as permitted and practiced under current DOE policy. The provisions for implementing this policy are contained in the Draft Handbookmore » for Controlling Release for Reuse or Recycle of Non-Real Property Containing Residual Radioactive Material published by DOE in 1997 and distributed to DOE Field Offices for interim use and implementation. This manual describes a computer management tool, P2Pro(RSM), that implements the first 5 steps of the 10-step process stipulated by the Handbook. P2Pro(RSM) combines an easy-to-use Windows interface with a comprehensive database to facilitate the development of authorized release limits for non-real property.« less

Effects of Long-term Soil and Crop Management on Soil Hydraulic Properties for Claypan Soils

USDA-ARS?s Scientific Manuscript database

Regional and national soil maps and associated databases of soil properties have been developed to help land managers make decisions based on soil characteristics. Hydrologic modelers also utilize soil hydraulic properties provided in these databases, in which soil characterization is based on avera...

Mineral trioxide aggregate: part 2 - a review of the material aspects.

PubMed

Malhotra, Neeraj; Agarwal, Antara; Mala, Kundabala

2013-03-01

The purpose of this two-part series is to review the composition, properties, and products of mineral trioxide aggregate (MTA) materials. PubMed and MedLine electronic databases were used to identify scientific papers from January 1991 to May 2010. Based on the selected inclusion criteria, citations were referenced from the scientific peer-reviewed dental literature. Mineral trioxide aggregate is a refined form of the parent compound, Portland cement (PC), and demonstrates a strong biocompatibility due to the high pH level and the material's ability to form hydroxyapatite. Mineral trioxide aggregate materials provide better microleakage protection than traditional endodontic materials as observed in findings from dye-leakage, fluid-filtration, protein-leakage, and bacterial penetration-leakage studies and has been recognized as a bioactive material. Various MTA commercial products are available, including gray mineral trioxide aggregate (GMTA), white mineral trioxide aggregate (WMTA), and mineral trioxide aggregate-Angelus (AMTA). Although these materials are indicated for various dental uses and applications, long-term in-vivo clinical studies are needed. Part 1 of this article highlighted and discussed the composition and characteristics of the material. Part 2 provides an overview of commercially available MTA materials.

Glass Property Data and Models for Estimating High-Level Waste Glass Volume

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vienna, John D.; Fluegel, Alexander; Kim, Dong-Sang

2009-10-05

This report describes recent efforts to develop glass property models that can be used to help estimate the volume of high-level waste (HLW) glass that will result from vitrification of Hanford tank waste. The compositions of acceptable and processable HLW glasses need to be optimized to minimize the waste-form volume and, hence, to save cost. A database of properties and associated compositions for simulated waste glasses was collected for developing property-composition models. This database, although not comprehensive, represents a large fraction of data on waste-glass compositions and properties that were available at the time of this report. Glass property-composition modelsmore » were fit to subsets of the database for several key glass properties. These models apply to a significantly broader composition space than those previously publised. These models should be considered for interim use in calculating properties of Hanford waste glasses.« less

Analyzing critical material demand: A revised approach.

PubMed

Nguyen, Ruby Thuy; Fishman, Tomer; Zhao, Fu; Imholte, D D; Graedel, T E

2018-07-15

Apparent consumption has been widely used as a metric to estimate material demand. However, with technology advancement and complexity of material use, this metric has become less useful in tracking material flows, estimating recycling feedstocks, and conducting life cycle assessment of critical materials. We call for future research efforts to focus on building a multi-tiered consumption database for the global trade network of critical materials. This approach will help track how raw materials are processed into major components (e.g., motor assemblies) and eventually incorporated into complete pieces of equipment (e.g., wind turbines). Foreseeable challenges would involve: 1) difficulty in obtaining a comprehensive picture of trade partners due to business sensitive information, 2) complexity of materials going into components of a machine, and 3) difficulty maintaining such a database. We propose ways to address these challenges such as making use of digital design, learning from the experience of building similar databases, and developing a strategy for financial sustainability. We recommend that, with the advancement of information technology, small steps toward building such a database will contribute significantly to our understanding of material flows in society and the associated human impacts on the environment. Copyright © 2018 Elsevier B.V. All rights reserved.

DNA barcoding of medicinal plant material for identification

USDA-ARS?s Scientific Manuscript database

Because of the increasing demand for herbal remedies and for authentication of the source material, it is vital to provide a single database containing information about authentic plant materials and their potential adulterants. The database should provide DNA barcodes for data retrieval and similar...

Martensitic/ferritic steels as container materials for liquid mercury target of ESS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dai, Y.

1996-06-01

In the previous report, the suitability of steels as the ESS liquid mercury target container material was discussed on the basis of the existing database on conventional austenitic and martensitic/ferritic steels, especially on their representatives, solution annealed 316 stainless steel (SA 316) and Sandvik HT-9 martensitic steel (HT-9). Compared to solution annealed austenitic stainless steels, martensitic/ferritic steels have superior properties in terms of strength, thermal conductivity, thermal expansion, mercury corrosion resistance, void swelling and irradiation creep resistance. The main limitation for conventional martensitic/ferritic steels (CMFS) is embrittlement after low temperature ({le}380{degrees}C) irradiation. The ductile-brittle transition temperature (DBTT) can increase asmore » much as 250 to 300{degrees}C and the upper-shelf energy (USE), at the same time, reduce more than 50%. This makes the application temperature range of CMFS is likely between 300{degrees}C to 500{degrees}C. For the present target design concept, the temperature at the container will be likely controlled in a temperature range between 180{degrees}C to 330{degrees}C. Hence, CMFS seem to be difficult to apply. However, solution annealed austenitic stainless steels are also difficult to apply as the maximum stress level at the container will be higher than the design stress. The solution to the problem is very likely to use advanced low-activation martensitic/ferritic steels (LAMS) developed by the fusion materials community though the present database on the materials is still very limited.« less

A high temperature fatigue life prediction computer code based on the total strain version of StrainRange Partitioning (SRP)

NASA Technical Reports Server (NTRS)

Mcgaw, Michael A.; Saltsman, James F.

1993-01-01

A recently developed high-temperature fatigue life prediction computer code is presented and an example of its usage given. The code discussed is based on the Total Strain version of Strainrange Partitioning (TS-SRP). Included in this code are procedures for characterizing the creep-fatigue durability behavior of an alloy according to TS-SRP guidelines and predicting cyclic life for complex cycle types for both isothermal and thermomechanical conditions. A reasonably extensive materials properties database is included with the code.

Tungsten - Yttrium Based Nuclear Structural Materials

NASA Astrophysics Data System (ADS)

Ramana, Chintalapalle; Chessa, Jack; Martinenz, Gustavo

2013-04-01

The challenging problem currently facing the nuclear science community in this 21st century is design and development of novel structural materials, which will have an impact on the next-generation nuclear reactors. The materials available at present include reduced activation ferritic/martensitic steels, dispersion strengthened reduced activation ferritic steels, and vanadium- or tungsten-based alloys. These materials exhibit one or more specific problems, which are either intrinsic or caused by reactors. This work is focussed towards tungsten-yttrium (W-Y) based alloys and oxide ceramics, which can be utilized in nuclear applications. The goal is to derive a fundamental scientific understanding of W-Y-based materials. In collaboration with University of Califonia -- Davis, the project is designated to demonstrate the W-Y based alloys, ceramics and composites with enhanced physical, mechanical, thermo-chemical properties and higher radiation resistance. Efforts are focussed on understanding the microstructure, manipulating materials behavior under charged-particle and neutron irradiation, and create a knowledge database of defects, elemental diffusion/segregation, and defect trapping along grain boundaries and interfaces. Preliminary results will be discussed.

EVITHERM: The Virtual Institute of Thermal Metrology

NASA Astrophysics Data System (ADS)

Redgrove, J.; Filtz, J.-R.; Fischer, J.; Le Parlouër, P.; Mathot, V.; Nesvadba, P.; Pavese, F.

2007-12-01

Evitherm is a web-based thermal resource centre, resulting from a 3-year project partly funded by the EU’s GROWTH programme (2002 05). Evitherm links together the widely distributed centres of excellence (NMIs, research and teaching institutes, consultants, etc.) and others concerned with thermal measurements and technology to provide a focal point for information exchange and knowledge transfer between all these organizations and industry. To facilitate the quick and easy flow of thermal knowledge to users of thermal technologies, evitherm has a website (www.evitherm.org) through which it disseminates information and by which it also provides access to resources such as training, property data, measurements and experts. Among the resources available from the website are (1) thermal property data—offering access to some of the world’s leading databases; (2) expertise— evitherm has a database of consultants, an Advice line, a public Forum and a unique Consultancy Brokering Service whereby users are linked to the expert they need to solve their thermal industrial problems; (3) industry resources—thermal information for particular industry sectors; (4) services—information directories on thermal property measurement, training, equipment supply, reference materials, etc.; (5) literature—links to books, papers, standards, etc.; (6) events—conferences, meetings, seminars, organizations and networks, what’s happening. A user only has to register (for free) to gain access to all the information on the evitherm website. Much of the thermal property data can be accessed for free and in a few cases we have negotiated affordable rates for access to some leading databases, such as CINDAS, THERSYST and NELFOOD. This article illustrates the aims and structure of the evitherm Society, how it is directed, and how it serves the thermal community worldwide in its need for quick and easy access to the resources needed to help ensure a well resourced industrial work force and clean and efficient thermal processes.

Assessment of aggregate quality and petrographic properties' influence on rock quality: A case study from Nordland county, Norway

NASA Astrophysics Data System (ADS)

Kløve Keiding, Jakob; Erichsen, Eyolf; Heldal, Tom; Aslaksen Aasly, Kari

2017-04-01

Good access to construction materials is crucial for future infrastructure development and continued economic growth. In Norway >80 % of construction materials come from crushed aggregates and represent an growing share of the consumption. Although recycling to some extend can cover the need for construction materials, economic growth, increasing population and urbanization necessitates exploitation of new rock resources in Norway as well as many other parts of the world. Aggregates must fulfill a number of technical requirements to ensure high quality and long life expectancy of new roads, buildings and structures. Aggregates also have to be extracted near the consumer market. Particularly for road construction strict criteria are in place for wearing course for roads with high traffic density. Thus knowledge of mechanical rock quality is paramount for both exploitation as well as future resource and land-use planning but is often not assessed or mapped beyond the quarry scale. The Geological survey of Norway runs a database with information about crushed aggregate deposits from >1500 Norwegian quarries and sample sites. Here we use mechanical test analyses from the database to assess the aggregate quality in the Nordland county, Norway. Maps have been produced linking bed rock geology with rock quality parameters. The survey documents that the county is challenged in meeting the requirements for roads with high traffic density and especially in the middle parts of the county many samples have weak mechanical properties. This to some degree reflect that weak Cambro-Silurian rocks like phyllite, schist, carbonate and greenstone are abundant in Nordland. Typically mechanically stronger rock types such as gabbro, monzonite and granite are also exposed in large parts of the county, but are also characterized by relative poor or very variable mechanical test quality. Preliminary results indicate that many intrinsic parameters influence the mechanical rock strength, but variable degrees of deformation in the different tectonostratigraphic units exposed in Nordland affects the rock mechanical properties and is a prominent feature of our mapping. Unsurprisingly rock type, mineralogy, grain size and rock texture are all important factors that have a major control on the mechanical behaviour of the rocks. However, this assessment shows that there is an intricate interaction between these parameters and the resulting mechanical properties at present making it difficult to assess mechanical quality accurately only based on petrographic examination.

Functionally Graded Materials Database

NASA Astrophysics Data System (ADS)

Kisara, Katsuto; Konno, Tomomi; Niino, Masayuki

2008-02-01

Functionally Graded Materials Database (hereinafter referred to as FGMs Database) was open to the society via Internet in October 2002, and since then it has been managed by the Japan Aerospace Exploration Agency (JAXA). As of October 2006, the database includes 1,703 research information entries with 2,429 researchers data, 509 institution data and so on. Reading materials such as "Applicability of FGMs Technology to Space Plane" and "FGMs Application to Space Solar Power System (SSPS)" were prepared in FY 2004 and 2005, respectively. The English version of "FGMs Application to Space Solar Power System (SSPS)" is now under preparation. This present paper explains the FGMs Database, describing the research information data, the sitemap and how to use it. From the access analysis, user access results and users' interests are discussed.

Detecting errors and anomalies in computerized materials control and accountability databases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Whiteson, R.; Hench, K.; Yarbro, T.

The Automated MC and A Database Assessment project is aimed at improving anomaly and error detection in materials control and accountability (MC and A) databases and increasing confidence in the data that they contain. Anomalous data resulting in poor categorization of nuclear material inventories greatly reduces the value of the database information to users. Therefore it is essential that MC and A data be assessed periodically for anomalies or errors. Anomaly detection can identify errors in databases and thus provide assurance of the integrity of data. An expert system has been developed at Los Alamos National Laboratory that examines thesemore » large databases for anomalous or erroneous data. For several years, MC and A subject matter experts at Los Alamos have been using this automated system to examine the large amounts of accountability data that the Los Alamos Plutonium Facility generates. These data are collected and managed by the Material Accountability and Safeguards System, a near-real-time computerized nuclear material accountability and safeguards system. This year they have expanded the user base, customizing the anomaly detector for the varying requirements of different groups of users. This paper describes the progress in customizing the expert systems to the needs of the users of the data and reports on their results.« less

75 FR 57437 - Submission for OMB Review; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-21

... a Food Safety Education and Training Materials Database. The Database is a centralized gateway to... creating previously available education materials) (2) provide a central gateway to access the education materials (3) create a systematic and efficient method of collecting data from USDA grantees and (4) promote...

78 FR 69040 - Submission for OMB Review; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-18

... a Food Safety Education and Training Materials Database. The Database is a centralized gateway to... creating previously available education materials), (2) provide a central gateway to access the education materials, (3) create a systematic and efficient method of collecting data from USDA grantees, and (4...

Decision Support for Emergency Operations Centers

NASA Technical Reports Server (NTRS)

Harvey, Craig; Lawhead, Joel; Watts, Zack

2005-01-01

The Flood Disaster Mitigation Decision Support System (DSS) is a computerized information system that allows regional emergency-operations government officials to make decisions regarding the dispatch of resources in response to flooding. The DSS implements a real-time model of inundation utilizing recently acquired lidar elevation data as well as real-time data from flood gauges, and other instruments within and upstream of an area that is or could become flooded. The DSS information is updated as new data become available. The model generates realtime maps of flooded areas and predicts flood crests at specified locations. The inundation maps are overlaid with information on population densities, property values, hazardous materials, evacuation routes, official contact information, and other information needed for emergency response. The program maintains a database and a Web portal through which real-time data from instrumentation are gathered into the database. Also included in the database is a geographic information system, from which the program obtains the overlay data for areas of interest as needed. The portal makes some portions of the database accessible to the public. Access to other portions of the database is restricted to government officials according to various levels of authorization. The Flood Disaster Mitigation DSS has been integrated into a larger DSS named REACT (Real-time Emergency Action Coordination Tool), which also provides emergency operations managers with data for any type of impact area such as floods, fires, bomb

EFFECT OF TRITIUM AND DECAY HELIUM ON WELDMENT FRACTURE TOUGHNESS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morgan, M; Scott West, S; Michael Tosten, M

2006-09-26

The fracture toughness data collected in this study are needed to assess the long-term effects of tritium and its decay product on tritium reservoirs. The results show that tritium and decay helium have negative effects on the fracture toughness properties of stainless steel and its weldments. The data and report from this study has been included in a material property database for use in tritium reservoir modeling efforts like the Technology Investment Program ''Lifecycle Engineering for Tritium Reservoirs''. A number of conclusions can be drawn from the data: (1) For unexposed Type 304L stainless steel, the fracture toughness of weldmentsmore » was two to three times higher than the base metal toughness. (2) Tritium exposure lowered the fracture toughness properties of both base metals and weldments. This was characterized by lower J{sub Q} values and lower J-da curves. (3) Tritium-exposed-and-aged base metals and weldments had lower fracture toughness values than unexposed ones but still retained good toughness properties.« less

Complex layered dental restorations: Are they recognizable and do they survive extreme conditions?

PubMed

Soon, Alistair S; Bush, Mary A; Bush, Peter J

2015-09-01

Recent research has shown that restorative dental materials can be recognized by microscopy and elemental analysis (scanning electron microscopy/energy dispersive X-ray spectroscopy and X-ray fluorescence; SEM/EDS and XRF) and that this is possible even in extreme conditions, such as cremation. These analytical methods and databases of dental materials properties have proven useful in DVI (disaster victim identification) of a commercial plane crash in 2009, and in a number of other victim identification cases. Dental materials appear on the market with ever expanding frequency. With their advent, newer methods of restoration have been proposed and adopted in the dental office. Methods might include placing multiple layers of dental materials, where they have different properties including adhesion, viscosity, or working time. These different dental materials include filled adhesives, flowable resins, glass ionomer cements, composite resins, liners and sealants. With possible combinations of different materials in these restorations, the forensic odontologist is now confronted with a new difficulty; how to recognize each individual material. The question might be posed if it is even possible to perform this task. Furthermore, an odontologist might be called upon to identify a victim under difficult circumstances, such as when presented with fragmented or incinerated remains. In these circumstances the ability to identify specific dental materials could assist in the identification of the deceased. Key to use of this information is whether these new materials and methods are detailed in the dental chart. Visual or radiographic inspection may not reveal the presence of a restoration, let alone the possible complex nature of that restoration. This study demonstrates another scientific method in forensic dental identification. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Browsing a Database of Multimedia Learning Material.

ERIC Educational Resources Information Center

Persico, Donatella; And Others

1992-01-01

Describes a project that addressed the problem of courseware reusability by developing a database structure suitable for organizing multimedia learning material in a given content domain. A prototype system that allows browsing a DBLM (Data Base of Learning Material) on earth science is described, and future plans are discussed. (five references)…

Powder Injection Molding of Ceramic Engine Components for Transportation

NASA Astrophysics Data System (ADS)

Lenz, Juergen; Enneti, Ravi K.; Onbattuvelli, Valmikanathan; Kate, Kunal; Martin, Renee; Atre, Sundar

2012-03-01

Silicon nitride has been the favored material for manufacturing high-efficiency engine components for transportation due to its high temperature stability, good wear resistance, excellent corrosion resistance, thermal shock resistance, and low density. The use of silicon nitride in engine components greatly depends on the ability to fabricate near net-shape components economically. The absence of a material database for design and simulation has further restricted the engineering community in developing parts from silicon nitride. In this paper, the design and manufacturability of silicon nitride engine rotors for unmanned aerial vehicles by the injection molding process are discussed. The feedstock material property data obtained from experiments were used to simulate the flow of the material during injection molding. The areas susceptible to the formation of defects during the injection molding process of the engine component were identified from the simulations. A test sample was successfully injection molded using the feedstock and sintered to 99% density without formation of significant observable defects.

Structural kinematics based damage zone prediction in gradient structures using vibration database

NASA Astrophysics Data System (ADS)

Talha, Mohammad; Ashokkumar, Chimpalthradi R.

2014-05-01

To explore the applications of functionally graded materials (FGMs) in dynamic structures, structural kinematics based health monitoring technique becomes an important problem. Depending upon the displacements in three dimensions, the health of the material to withstand dynamic loads is inferred in this paper, which is based on the net compressive and tensile displacements that each structural degree of freedom takes. These net displacements at each finite element node predicts damage zones of the FGM where the material is likely to fail due to a vibration response which is categorized according to loading condition. The damage zone prediction of a dynamically active FGMs plate have been accomplished using Reddy's higher-order theory. The constituent material properties are assumed to vary in the thickness direction according to the power-law behavior. The proposed C0 finite element model (FEM) is applied to get net tensile and compressive displacement distributions across the structures. A plate made of Aluminum/Ziconia is considered to illustrate the concept of structural kinematics-based health monitoring aspects of FGMs.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghamarian, I.; Samani, P.; Rohrer, G. S.

Grain boundary engineering and other fundamental materials science problems (e.g., phase transformations and physical properties) require an improvement in the understanding of the type and population of grain boundaries in a given system – yet, databases are limited in number and spare in detail, including for hcp crystals such as zirconium. One way to rapidly obtain databases to analyze is to use small-grained materials and high spatial resolution orientation microscopy techniques, such as ASTAR™/precession electron diffraction. To demonstrate this, a study of grain boundary character distributions was conducted for α-zirconium deposited at room temperature on fused silica substrates using physicalmore » vapor deposition. The orientation maps of the nanocrystalline thin films were acquired by the ASTARα/precession electron diffraction technique, a new transmission electron microscope based orientation microscopy method. The reconstructed grain boundaries were classified as pure tilt, pure twist, 180°-twist and 180°-tilt grain boundaries based on the distribution of grain boundary planes with respect to the angle/axis of misorientation associated with grain boundaries. The results of the current study were compared to the results of a similar study on α-titanium and the molecular dynamics results of grain boundary energy for α-titanium.« less

Reference Material Kydex(registered trademark)-100 Test Data Message for Flammability Testing

NASA Technical Reports Server (NTRS)

Engel, Carl D.; Richardson, Erin; Davis, Eddie

2003-01-01

The Marshall Space Flight Center (MSFC) Materials and Processes Technical Information System (MAPTIS) database contains, as an engineering resource, a large amount of material test data carefully obtained and recorded over a number of years. Flammability test data obtained using Test 1 of NASA-STD-6001 is a significant component of this database. NASA-STD-6001 recommends that Kydex 100 be used as a reference material for testing certification and for comparison between test facilities in the round-robin certification testing that occurs every 2 years. As a result of these regular activities, a large volume of test data is recorded within the MAPTIS database. The activity described in this technical report was undertaken to mine the database, recover flammability (Test 1) Kydex 100 data, and review the lessons learned from analysis of these data.

Open Access Internet Resources for Nano-Materials Physics Education

NASA Astrophysics Data System (ADS)

Moeck, Peter; Seipel, Bjoern; Upreti, Girish; Harvey, Morgan; Garrick, Will

2006-05-01

Because a great deal of nano-material science and engineering relies on crystalline materials, materials physicists have to provide their own specific contributions to the National Nanotechnology Initiative. Here we briefly review two freely accessible internet-based crystallographic databases, the Nano-Crystallography Database (http://nanocrystallography.research.pdx.edu) and the Crystallography Open Database (http://crystallography.net). Information on over 34,000 full structure determinations are stored in these two databases in the Crystallographic Information File format. The availability of such crystallographic data on the internet in a standardized format allows for all kinds of web-based crystallographic calculations and visualizations. Two examples of which that are dealt with in this paper are: interactive crystal structure visualizations in three dimensions and calculations of lattice-fringe fingerprints for the identification of unknown nanocrystals from their atomic-resolution transmission electron microscopy images.

A high-throughput technique for determining grain boundary character non-destructively in microstructures with through-thickness grains

DOE PAGES

Seita, Matteo; Volpi, Marco; Patala, Srikanth; ...

2016-06-24

Grain boundaries (GBs) govern many properties of polycrystalline materials. However, because of their structural variability, our knowledge of GB constitutive relations is still very limited. We present a novel method to characterise the complete crystallography of individual GBs non-destructively, with high-throughput, and using commercially available tools. This method combines electron diffraction, optical reflectance and numerical image analysis to determine all five crystallographic parameters of numerous GBs in samples with through-thickness grains. We demonstrate the technique by measuring the crystallographic character of about 1,000 individual GBs in aluminum in a single run. Our method enables cost- and time-effective assembly of crystallography–propertymore » databases for thousands of individual GBs. Furthermore, such databases are essential for identifying GB constitutive relations and for predicting GB-related behaviours of polycrystalline solids.« less

3D THz hyperspectrum applied in security check-in

NASA Astrophysics Data System (ADS)

Damian, V.; Logofǎtu, P. C.; Vasile, T.

2016-12-01

We developed a measuring technology using a TDS-THz system to construct hyperspectral images of some objects, including hazardous materials. "T-rays" (the THz spectral domain of the light) have a growing importance in security and imagistic domain. Due to their property of penetrating through dielectric objects, and using non-ionizing radiations, the THz systems have become a standard for "hot-places" (airports, train stations etc.). The hyperspectral images are 3D images having 2D spatial dimension and one spectral dimension. In this way, we obtain simultaneously information about the form of the object and its molecular composition. For discriminating between substances, we must first build a database of spectra for hazardous and dangerous substances. We experiment our system on some items (among them a firecracker, a cigarette and a metal collar) and we tried to discriminate between them using the database of spectra.

The limits of sharing: an ethical analysis of the arguments for and against the sharing of databases and material banks.

PubMed

Smith, Elise

2011-11-01

In this article, I study the challenges that make database and material bank sharing difficult for many researchers. I assert that if sharing is prima facie ethical (a view that I will defend), then any practices that limit sharing require justification. I argue that: 1) data and material sharing is ethical for many stakeholders; 2) there are, however, certain reasonable limits to sharing; and 3) the rationale and validity of arguments for any limitations to sharing must be made transparent. I conclude by providing general recommendations for how to ethically share databases and material banks.

NCAD, a database integrating the intrinsic conformational preferences of non-coded amino acids

PubMed Central

Revilla-López, Guillem; Torras, Juan; Curcó, David; Casanovas, Jordi; Calaza, M. Isabel; Zanuy, David; Jiménez, Ana I.; Cativiela, Carlos; Nussinov, Ruth; Grodzinski, Piotr; Alemán, Carlos

2010-01-01

Peptides and proteins find an ever-increasing number of applications in the biomedical and materials engineering fields. The use of non-proteinogenic amino acids endowed with diverse physicochemical and structural features opens the possibility to design proteins and peptides with novel properties and functions. Moreover, non-proteinogenic residues are particularly useful to control the three-dimensional arrangement of peptidic chains, which is a crucial issue for most applications. However, information regarding such amino acids –also called non-coded, non-canonical or non-standard– is usually scattered among publications specialized in quite diverse fields as well as in patents. Making all these data useful to the scientific community requires new tools and a framework for their assembly and coherent organization. We have successfully compiled, organized and built a database (NCAD, Non-Coded Amino acids Database) containing information about the intrinsic conformational preferences of non-proteinogenic residues determined by quantum mechanical calculations, as well as bibliographic information about their synthesis, physical and spectroscopic characterization, conformational propensities established experimentally, and applications. The architecture of the database is presented in this work together with the first family of non-coded residues included, namely, α-tetrasubstituted α-amino acids. Furthermore, the NCAD usefulness is demonstrated through a test-case application example. PMID:20455555

Relational-database model for improving quality assurance and process control in a composite manufacturing environment

NASA Astrophysics Data System (ADS)

Gentry, Jeffery D.

2000-05-01

A relational database is a powerful tool for collecting and analyzing the vast amounts of inner-related data associated with the manufacture of composite materials. A relational database contains many individual database tables that store data that are related in some fashion. Manufacturing process variables as well as quality assurance measurements can be collected and stored in database tables indexed according to lot numbers, part type or individual serial numbers. Relationships between manufacturing process and product quality can then be correlated over a wide range of product types and process variations. This paper presents details on how relational databases are used to collect, store, and analyze process variables and quality assurance data associated with the manufacture of advanced composite materials. Important considerations are covered including how the various types of data are organized and how relationships between the data are defined. Employing relational database techniques to establish correlative relationships between process variables and quality assurance measurements is then explored. Finally, the benefits of database techniques such as data warehousing, data mining and web based client/server architectures are discussed in the context of composite material manufacturing.

Accurate Characterization of the Pore Volume in Microporous Crystalline Materials

PubMed Central

2017-01-01

Pore volume is one of the main properties for the characterization of microporous crystals. It is experimentally measurable, and it can also be obtained from the refined unit cell by a number of computational techniques. In this work, we assess the accuracy and the discrepancies between the different computational methods which are commonly used for this purpose, i.e, geometric, helium, and probe center pore volumes, by studying a database of more than 5000 frameworks. We developed a new technique to fully characterize the internal void of a microporous material and to compute the probe-accessible and -occupiable pore volume. We show that, unlike the other definitions of pore volume, the occupiable pore volume can be directly related to the experimentally measured pore volumes from nitrogen isotherms. PMID:28636815

Characterization of Radiation Fields in Biological Shields of Nuclear Power Plants for Assessing Concrete Degradationa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Remec, Igor; Rosseel, Thomas M; Field, Kevin G

Life extensions of nuclear power plants to 60 and potentially 80 years of operation have renewed interest in long-term material degradation. One material being considered is concrete, with a particular focus on radiation-induced effects. Based on the projected neutron fluence values (E > 0.1 MeV) in the concrete biological shields of the US pressurized water reactor fleet and the available data on radiation effects on concrete, some decrease in mechanical properties of concrete cannot be ruled out during extended operation beyond 60 years. An expansion of the irradiated concrete database and a reliable determination of relevant neutron fluence energy cutoffmore » value are necessary to ensure reliable risk assessment for extended operation of nuclear power plants.« less

Accurate Characterization of the Pore Volume in Microporous Crystalline Materials

DOE PAGES

Ongari, Daniele; Boyd, Peter G.; Barthel, Senja; ...

2017-06-21

Pore volume is one of the main properties for the characterization of microporous crystals. It is experimentally measurable, and it can also be obtained from the refined unit cell by a number of computational techniques. In this work, we assess the accuracy and the discrepancies between the different computational methods which are commonly used for this purpose, i.e, geometric, helium, and probe center pore volumes, by studying a database of more than 5000 frameworks. We developed a new technique to fully characterize the internal void of a microporous material and to compute the probe-accessible and -occupiable pore volume. Lasty, wemore » show that, unlike the other definitions of pore volume, the occupiable pore volume can be directly related to the experimentally measured pore volumes from nitrogen isotherms.« less

Predicting Novel Bulk Metallic Glasses via High- Throughput Calculations

NASA Astrophysics Data System (ADS)

Perim, E.; Lee, D.; Liu, Y.; Toher, C.; Gong, P.; Li, Y.; Simmons, W. N.; Levy, O.; Vlassak, J.; Schroers, J.; Curtarolo, S.

Bulk metallic glasses (BMGs) are materials which may combine key properties from crystalline metals, such as high hardness, with others typically presented by plastics, such as easy processability. However, the cost of the known BMGs poses a significant obstacle for the development of applications, which has lead to a long search for novel, economically viable, BMGs. The emergence of high-throughput DFT calculations, such as the library provided by the AFLOWLIB consortium, has provided new tools for materials discovery. We have used this data to develop a new glass forming descriptor combining structural factors with thermodynamics in order to quickly screen through a large number of alloy systems in the AFLOWLIB database, identifying the most promising systems and the optimal compositions for glass formation. National Science Foundation (DMR-1436151, DMR-1435820, DMR-1436268).

Biocompatibility assessment of synthetic sling materials for female stress urinary incontinence.

PubMed

Gomelsky, Alex; Dmochowski, Roger R

2007-10-01

We evaluated the performance and complications of currently available synthetic sling materials with a focus on in vitro and in vivo biocompatibility, and acceptance in the human body. We reviewed the MEDLINE database for relevant literature pertaining to various synthetic sling materials. The Food and Drug Administration regulations regarding the regulation and biocompatibility testing of synthetic meshes were also reviewed. Many synthetic meshes used for sling construction were introduced before rigorous Food and Drug Administration regulations were passed and, thus, some became associated with unique complications. Most meshes used in pubovaginal and mid urethral sling surgery are associated with high short-term success rates and relatively few intraoperative complications. Despite modifications and additives, slings constructed from polytetrafluoroethylene and polyethylene are poorly accepted by the human body. Flexible, macroporous, polypropylene meshes appear to integrate more completely with human tissue than other synthetic materials. However, multifilament and nonknitted polypropylene slings may integrate poorly. The composition, weave and pore size of each material are unique. These properties are responsible for the strength and durability of the material, as well as the ultimate acceptance and incorporation in the human body. Each material should be individually evaluated and patients should be counseled appropriately before implantation.

Z2Pack: Numerical implementation of hybrid Wannier centers for identifying topological materials

NASA Astrophysics Data System (ADS)

Gresch, Dominik; Autès, Gabriel; Yazyev, Oleg V.; Troyer, Matthias; Vanderbilt, David; Bernevig, B. Andrei; Soluyanov, Alexey A.

2017-02-01

The intense theoretical and experimental interest in topological insulators and semimetals has established band structure topology as a fundamental material property. Consequently, identifying band topologies has become an important, but often challenging, problem, with no exhaustive solution at the present time. In this work we compile a series of techniques, some previously known, that allow for a solution to this problem for a large set of the possible band topologies. The method is based on tracking hybrid Wannier charge centers computed for relevant Bloch states, and it works at all levels of materials modeling: continuous k .p models, tight-binding models, and ab initio calculations. We apply the method to compute and identify Chern, Z2, and crystalline topological insulators, as well as topological semimetal phases, using real material examples. Moreover, we provide a numerical implementation of this technique (the Z2Pack software package) that is ideally suited for high-throughput screening of materials databases for compounds with nontrivial topologies. We expect that our work will allow researchers to (a) identify topological materials optimal for experimental probes, (b) classify existing compounds, and (c) reveal materials that host novel, not yet described, topological states.

Computational screening of organic materials towards improved photovoltaic properties

NASA Astrophysics Data System (ADS)

Dai, Shuo; Olivares-Amaya, Roberto; Amador-Bedolla, Carlos; Aspuru-Guzik, Alan; Borunda, Mario

2015-03-01

The world today faces an energy crisis that is an obstruction to the development of the human civilization. One of the most promising solutions is solar energy harvested by economical solar cells. Being the third generation of solar cell materials, organic photovoltaic (OPV) materials is now under active development from both theoretical and experimental points of view. In this study, we constructed a parameter to select the desired molecules based on their optical spectra performance. We applied it to investigate a large collection of potential OPV materials, which were from the CEPDB database set up by the Harvard Clean Energy Project. Time dependent density functional theory (TD-DFT) modeling was used to calculate the absorption spectra of the molecules. Then based on the parameter, we screened out the top performing molecules for their potential OPV usage and suggested experimental efforts toward their synthesis. In addition, from those molecules, we summarized the functional groups that provided molecules certain spectrum capability. It is hoped that useful information could be mined out to provide hints to molecular design of OPV materials.

Computational Chemistry Comparison and Benchmark Database

National Institute of Standards and Technology Data Gateway

SRD 101 NIST Computational Chemistry Comparison and Benchmark Database (Web, free access)   The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of molecules. The goals are to provide a benchmark set of molecules for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of thermochemical properties.

UNSODA UNSATURATED SOIL HYDRAULIC DATABASE USER'S MANUAL VERSION 1.0

EPA Science Inventory

This report contains general documentation and serves as a user manual of the UNSODA program. UNSODA is a database of unsaturated soil hydraulic properties (water retention, hydraulic conductivity, and soil water diffusivity), basic soil properties (particle-size distribution, b...

Integrated database for rapid mass movements in Norway

NASA Astrophysics Data System (ADS)

Jaedicke, C.; Lied, K.; Kronholm, K.

2009-03-01

Rapid gravitational slope mass movements include all kinds of short term relocation of geological material, snow or ice. Traditionally, information about such events is collected separately in different databases covering selected geographical regions and types of movement. In Norway the terrain is susceptible to all types of rapid gravitational slope mass movements ranging from single rocks hitting roads and houses to large snow avalanches and rock slides where entire mountainsides collapse into fjords creating flood waves and endangering large areas. In addition, quick clay slides occur in desalinated marine sediments in South Eastern and Mid Norway. For the authorities and inhabitants of endangered areas, the type of threat is of minor importance and mitigation measures have to consider several types of rapid mass movements simultaneously. An integrated national database for all types of rapid mass movements built around individual events has been established. Only three data entries are mandatory: time, location and type of movement. The remaining optional parameters enable recording of detailed information about the terrain, materials involved and damages caused. Pictures, movies and other documentation can be uploaded into the database. A web-based graphical user interface has been developed allowing new events to be entered, as well as editing and querying for all events. An integration of the database into a GIS system is currently under development. Datasets from various national sources like the road authorities and the Geological Survey of Norway were imported into the database. Today, the database contains 33 000 rapid mass movement events from the last five hundred years covering the entire country. A first analysis of the data shows that the most frequent type of recorded rapid mass movement is rock slides and snow avalanches followed by debris slides in third place. Most events are recorded in the steep fjord terrain of the Norwegian west coast, but major events are recorded all over the country. Snow avalanches account for most fatalities, while large rock slides causing flood waves and huge quick clay slides are the most damaging individual events in terms of damage to infrastructure and property and for causing multiple fatalities. The quality of the data is strongly influenced by the personal engagement of local observers and varying observation routines. This database is a unique source for statistical analysis including, risk analysis and the relation between rapid mass movements and climate. The database of rapid mass movement events will also facilitate validation of national hazard and risk maps.

Conventional and Eccentric Uses of Crystallographic Databases in Practical Materials Identification Problems

PubMed Central

Kaduk, James A.

1996-01-01

The crystallographic databases are powerful and cost-effective tools for solving materials identification problems, both individually and in combination. Examples of the conventional and unconventional use of the databases in solving practical problems involving organic, coordination, and inorganic compounds are provided. The creation and use of fully-relational versions of the Powder Diffraction File and NIST Crystal Data are described. PMID:27805165

Databases for LDEF results

NASA Technical Reports Server (NTRS)

Bohnhoff-Hlavacek, Gail

1992-01-01

One of the objectives of the team supporting the LDEF Systems and Materials Special Investigative Groups is to develop databases of experimental findings. These databases identify the hardware flown, summarize results and conclusions, and provide a system for acknowledging investigators, tracing sources of data, and future design suggestions. To date, databases covering the optical experiments, and thermal control materials (chromic acid anodized aluminum, silverized Teflon blankets, and paints) have been developed at Boeing. We used the Filemaker Pro software, the database manager for the Macintosh computer produced by the Claris Corporation. It is a flat, text-retrievable database that provides access to the data via an intuitive user interface, without tedious programming. Though this software is available only for the Macintosh computer at this time, copies of the databases can be saved to a format that is readable on a personal computer as well. Further, the data can be exported to more powerful relational databases, capabilities, and use of the LDEF databases and describe how to get copies of the database for your own research.

Geologic Controls on Geophysics for Tunnel Detection

NASA Astrophysics Data System (ADS)

Kelley, J. R.; Wakeley, L. D.; McKenna, J. R.; Ketcham, S. A.; Weiss, C. A.; Curtis, J. O.

2006-05-01

Properties of soils are critical to using near-surface geophysical techniques to search for clandestine tunnels. We have constructed a database of soils sampled at sites on the northern (N) and southern (S) US borders and at sites in Iraq in conjunction with tunnel searches. Geologic materials at these sites consist of glacial gravels (N), volcanic tuff (S), and alluvial sands interbedded with marine clays (Iraq). The depth of interest for detecting clandestine tunneling is < 30m, and as shallow as 2m at some locations. Mineral composition, grain size, moisture content, conductivity, permittivity, and magnetic susceptibility are critical for assessing the effectiveness of near-surface geophysical techniques. Values for these properties are consistent with soil stratigraphy and with vertical and lateral geologic variability. In some environments, in situ moisture content and the arrangement of conductive and resistive materials in the upper few meters limit significantly the depth of investigation using traditional near-surface techniques (electromagnetic induction, ground-penetrating radar). Geologic factors plus the small physical size of the targets limit the usefulness of commercial off-the-shelf techniques, and warrant an investment in new approaches.

Advances in Ultra High Temperature Ceramics for Hot Structures

NASA Astrophysics Data System (ADS)

Scatteia, Luigi; Monteverde, Federico; Alfano, Davide; Cantoni, Stefania

The objective of this paper is to describe the current state of the art of the research on Ultra High Temperature Ceramic materials with particular reference to their space applications, and also to report on the activities performed on UHTC in the past decade by the Italian Aerospace Research Centre in the specific technological field of structural thermal protection systems. Within several internal research project, various UHTC composition, mainly based upon Zirconium Diboride and Hafnium Diboride with added secondary phases and sintering aid were examined characterized in their mechanical properties and oxidation resistance. Two main composition were selected as the most promising for hot structure manufacturing: these materials were extensively characterized in order to obtain a comprehensive database of properties to feed the thermomechanical design of prototype hot structures. Technological demonstrators were manufactured by hot pressing followed by further fine machining with Electrical Discharge methods, and then tested at high temperature for long times in a plasma torch facility. The main outstanding results obtained are discussed in this paper. Future outlooks related to the UHTC technology and its further development are also provided.

Characterization of unsaturated zone hydrogeologic units using matrix properties and depositional history in a complex volcanic environment

USGS Publications Warehouse

Flint, Lorraine E.; Buesch, David C.; Flint, Alan L.

2006-01-01

Characterization of the physical and unsaturated hydrologic properties of subsurface materials is necessary to calculate flow and transport for land use practices and to evaluate subsurface processes such as perched water or lateral diversion of water, which are influenced by features such as faults, fractures, and abrupt changes in lithology. Input for numerical flow models typically includes parameters that describe hydrologic properties and the initial and boundary conditions for all materials in the unsaturated zone, such as bulk density, porosity, and particle density, saturated hydraulic conductivity, moisture-retention characteristics, and field water content. We describe an approach for systematically evaluating the site features that contribute to water flow, using physical and hydraulic data collected at the laboratory scale, to provide a representative set of physical and hydraulic parameters for numerically calculating flow of water through the materials at a site. An example case study from analyses done for the heterogeneous, layered, volcanic rocks at Yucca Mountain is presented, but the general approach for parameterization could be applied at any site where depositional processes follow deterministic patterns. Hydrogeologic units at this site were defined using (i) a database developed from 5320 rock samples collected from the coring of 23 shallow (<100 m) and 10 deep (500–1000 m) boreholes, (ii) lithostratigraphic boundaries and corresponding relations to porosity, (iii) transition zones with pronounced changes in properties over short vertical distances, (iv) characterization of the influence of mineral alteration on hydrologic properties such as permeability and moisture-retention characteristics, and (v) a statistical analysis to evaluate where boundaries should be adjusted to minimize the variance within layers. Model parameters developed in this study, and the relation of flow properties to porosity, can be used to produce detailed and accurate representations of the core-scale hydrologic processes ongoing at Yucca Mountain.

Electron and Positron Stopping Powers of Materials

National Institute of Standards and Technology Data Gateway

SRD 7 NIST Electron and Positron Stopping Powers of Materials (PC database for purchase)   The EPSTAR database provides rapid calculations of stopping powers (collisional, radiative, and total), CSDA ranges, radiation yields and density effect corrections for incident electrons or positrons with kinetic energies from 1 keV to 10 GeV, and for any chemically defined target material.

Clay and Polymer-Based Composites Applied to Drug Release: A Scientific and Technological Prospection.

PubMed

Meirelles, Lyghia Maria Araújo; Raffin, Fernanda Nervo

2017-01-01

There has been a growing trend in recent years for the development of hybrid materials, called composites, based on clay and polymers, whose innovative properties render them attractive for drug release. The objective of this manuscript was to conduct a review of original articles on this topic published over the last decade and of the body of patents related to these carriers. A scientific prospection was carried out spanning the period from 2005 to 2015 on the Web of Science database. The technological prospection encompassed the United States Patent and Trademark Office, the European Patent Office, the World International Patent Office and the National Institute of Industrial Property databases, filtering patents with the code A61K. The survey revealed a rise in the number of publications over the past decade, confirming the potential of these hybrids for use in pharmaceutical technology. Through interaction between polymer and clay, the mechanical and thermal properties of composites are enhanced, promoting stable, controlled drugs release in biological media. The most cited clays analyzed in the articles was montmorillonite, owing to its high surface area and capacity for ion exchange. The polymeric part is commonly obtained by copolymerization, particularly using acrylate derivatives. The hybrid materials are obtained mainly in particulate form on a nanometric scale, attaining a modified release profile often sensitive to stimuli in the media. A low number of patents related to the topic were found. The World International Patent Office had the highest number of lodged patents, while Japan was the country which published the most patents. A need to broaden the application of this technology to include more therapeutic classes was identified. Moreover, the absence of regulation of nanomaterials might explain the disparity between scientific and technological output. This article is open to POST-PUBLICATION REVIEW. Registered readers (see "For Readers") may comment by clicking on ABSTRACT on the issue's contents page.

Evaluation of Resilient Modulus of Subgrade and Base Materials in Indiana and Its Implementation in MEPDG

PubMed Central

Siddiki, Nayyarzia; Nantung, Tommy; Kim, Daehyeon

2014-01-01

In order to implement MEPDG hierarchical inputs for unbound and subgrade soil, a database containing subgrade M R, index properties, standard proctor, and laboratory M R for 140 undisturbed roadbed soil samples from six different districts in Indiana was created. The M R data were categorized in accordance with the AASHTO soil classifications and divided into several groups. Based on each group, this study develops statistical analysis and evaluation datasets to validate these models. Stress-based regression models were evaluated using a statistical tool (analysis of variance (ANOVA)) and Z-test, and pertinent material constants (k 1, k 2 and k 3) were determined for different soil types. The reasonably good correlations of material constants along with M R with routine soil properties were established. Furthermore, FWD tests were conducted on several Indiana highways in different seasons, and laboratory resilient modulus tests were performed on the subgrade soils that were collected from the falling weight deflectometer (FWD) test sites. A comparison was made of the resilient moduli obtained from the laboratory resilient modulus tests with those from the FWD tests. Correlations between the laboratory resilient modulus and the FWD modulus were developed and are discussed in this paper. PMID:24701162

Design and exploration of semiconductors from first principles: A review of recent advances

NASA Astrophysics Data System (ADS)

Oba, Fumiyasu; Kumagai, Yu

2018-06-01

Recent first-principles approaches to semiconductors are reviewed, with an emphasis on theoretical insight into emerging materials and in silico exploration of as-yet-unreported materials. As relevant theory and methodologies have developed, along with computer performance, it is now feasible to predict a variety of material properties ab initio at the practical level of accuracy required for detailed understanding and elaborate design of semiconductors; these material properties include (i) fundamental bulk properties such as band gaps, effective masses, dielectric constants, and optical absorption coefficients; (ii) the properties of point defects, including native defects, residual impurities, and dopants, such as donor, acceptor, and deep-trap levels, and formation energies, which determine the carrier type and density; and (iii) absolute and relative band positions, including ionization potentials and electron affinities at semiconductor surfaces, band offsets at heterointerfaces between dissimilar semiconductors, and Schottky barrier heights at metal–semiconductor interfaces, which are often discussed systematically using band alignment or lineup diagrams. These predictions from first principles have made it possible to elucidate the characteristics of semiconductors used in industry, including group III–V compounds such as GaN, GaP, and GaAs and their alloys with related Al and In compounds; amorphous oxides, represented by In–Ga–Zn–O transparent conductive oxides (TCOs), represented by In2O3, SnO2, and ZnO; and photovoltaic absorber and buffer layer materials such as CdTe and CdS among group II–VI compounds and chalcopyrite CuInSe2, CuGaSe2, and CuIn1‑ x Ga x Se2 (CIGS) alloys, in addition to the prototypical elemental semiconductors Si and Ge. Semiconductors attracting renewed or emerging interest have also been investigated, for instance, divalent tin compounds, including SnO and SnS; wurtzite-derived ternary compounds such as ZnSnN2 and CuGaO2; perovskite oxides such as SrTiO3 and BaSnO3; and organic–inorganic hybrid perovskites, represented by CH3NH3PbI3. Moreover, the deployment of first-principles calculations allows us to predict the crystal structure, stability, and properties of as-yet-unreported materials. Promising materials have been explored via high-throughput screening within either publicly available computational databases or unexplored composition and structure space. Reported examples include the identification of nitride semiconductors, TCOs, solar cell photoabsorber materials, and photocatalysts, some of which have been experimentally verified. Machine learning in combination with first-principles calculations has emerged recently as a technique to accelerate and enhance in silico screening. A blend of computation and experimentation with data science toward the development of materials is often referred to as materials informatics and is currently attracting growing interest.

The IVTANTHERMO-Online database for thermodynamic properties of individual substances with web interface

NASA Astrophysics Data System (ADS)

Belov, G. V.; Dyachkov, S. A.; Levashov, P. R.; Lomonosov, I. V.; Minakov, D. V.; Morozov, I. V.; Sineva, M. A.; Smirnov, V. N.

2018-01-01

The database structure, main features and user interface of an IVTANTHERMO-Online system are reviewed. This system continues the series of the IVTANTHERMO packages developed in JIHT RAS. It includes the database for thermodynamic properties of individual substances and related software for analysis of experimental results, data fitting, calculation and estimation of thermodynamical functions and thermochemistry quantities. In contrast to the previous IVTANTHERMO versions it has a new extensible database design, the client-server architecture, a user-friendly web interface with a number of new features for online and offline data processing.

Delineation of First-Order Elastic Property Closures for Hexagonal Metals Using Fast Fourier Transforms

PubMed Central

Landry, Nicholas W.; Knezevic, Marko

2015-01-01

Property closures are envelopes representing the complete set of theoretically feasible macroscopic property combinations for a given material system. In this paper, we present a computational procedure based on fast Fourier transforms (FFTs) for delineation of elastic property closures for hexagonal close packed (HCP) metals. The procedure consists of building a database of non-zero Fourier transforms for each component of the elastic stiffness tensor, calculating the Fourier transforms of orientation distribution functions (ODFs), and calculating the ODF-to-elastic property bounds in the Fourier space. In earlier studies, HCP closures were computed using the generalized spherical harmonics (GSH) representation and an assumption of orthotropic sample symmetry; here, the FFT approach allowed us to successfully calculate the closures for a range of HCP metals without invoking any sample symmetry assumption. The methodology presented here facilitates for the first time computation of property closures involving normal-shear coupling stiffness coefficients. We found that the representation of these property linkages using FFTs need more terms compared to GSH representations. However, the use of FFT representations reduces the computational time involved in producing the property closures due to the use of fast FFT algorithms. Moreover, FFT algorithms are readily available as opposed to GSH codes. PMID:28793566

Final Report - Enhanced LAW Glass Property - Composition Models - Phase 1 VSL-13R2940-1, Rev. 0, dated 9/27/2013

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kruger, Albert A.; Muller, I.; Gilbo, K.

2013-11-13

The objectives of this work are aimed at the development of enhanced LAW propertycomposition models that expand the composition region covered by the models. The models of interest include PCT, VHT, viscosity and electrical conductivity. This is planned as a multi-year effort that will be performed in phases with the objectives listed below for the current phase.  Incorporate property- composition data from the new glasses into the database.  Assess the database and identify composition spaces in the database that need augmentation.  Develop statistically-designed composition matrices to cover the composition regions identified in the above analysis.  Preparemore » crucible melts of glass compositions from the statistically-designed composition matrix and measure the properties of interest.  Incorporate the above property-composition data into the database.  Assess existing models against the complete dataset and, as necessary, start development of new models.« less

Milestone 4: Test plan for Reusable Hydrogen Composite Tank System (RHCTS). Task 3: Composite tank materials

NASA Technical Reports Server (NTRS)

Greenberg, H. S.

1994-01-01

This document is the detailed test plan for the series of tests enumerated in the preceding section. The purpose of this plan is to present the test objectives, test parameters and procedures, expected performance and data analysis plans, criteria for success, test schedules, and related safety provisions and to describe the test articles, test instrumentation, and test facility requirements. Initial testing will be performed to screen four composite materials for suitability for SSTO LH2 tank loads and environmental conditions. The laminates for this testing will be fabricated by fiber placement, which is the manufacturing approach identified as baseline for the tank wall. Even though hand layup will be involved in fabricating many of the internal structural members of the tank, no hand-layup laminates will be evaluated in the screening or subsequent characterization testing. This decision is based on the understanding that mechanical properties measured for hand-layup material should be at least equivalent to properties measured for fiber-placed material, so that the latter should provide no less than a conservative approximation of the former. A single material will be downselected from these screening tests. This material will be subsequently characterized for impact-damage tolerance and durability under conditions of mechanical and thermal cycling, and to establish a preliminary design database to support ongoing analysis. Next, testing will be performed on critical structural elements fabricated from the selected material. Finally, the 8-foot diameter tank article, containing the critical structural features of the full-scale tank, will be fabricated by fiber placement and tested to verify its structural integrity and LH2 containment.

Construction of crystal structure prototype database: methods and applications.

PubMed

Su, Chuanxun; Lv, Jian; Li, Quan; Wang, Hui; Zhang, Lijun; Wang, Yanchao; Ma, Yanming

2017-04-26

Crystal structure prototype data have become a useful source of information for materials discovery in the fields of crystallography, chemistry, physics, and materials science. This work reports the development of a robust and efficient method for assessing the similarity of structures on the basis of their interatomic distances. Using this method, we proposed a simple and unambiguous definition of crystal structure prototype based on hierarchical clustering theory, and constructed the crystal structure prototype database (CSPD) by filtering the known crystallographic structures in a database. With similar method, a program structure prototype analysis package (SPAP) was developed to remove similar structures in CALYPSO prediction results and extract predicted low energy structures for a separate theoretical structure database. A series of statistics describing the distribution of crystal structure prototypes in the CSPD was compiled to provide an important insight for structure prediction and high-throughput calculations. Illustrative examples of the application of the proposed database are given, including the generation of initial structures for structure prediction and determination of the prototype structure in databases. These examples demonstrate the CSPD to be a generally applicable and useful tool for materials discovery.

A Web-based Alternative Non-animal Method Database for Safety Cosmetic Evaluations

PubMed Central

Kim, Seung Won; Kim, Bae-Hwan

2016-01-01

Animal testing was used traditionally in the cosmetics industry to confirm product safety, but has begun to be banned; alternative methods to replace animal experiments are either in development, or are being validated, worldwide. Research data related to test substances are critical for developing novel alternative tests. Moreover, safety information on cosmetic materials has neither been collected in a database nor shared among researchers. Therefore, it is imperative to build and share a database of safety information on toxicological mechanisms and pathways collected through in vivo, in vitro, and in silico methods. We developed the CAMSEC database (named after the research team; the Consortium of Alternative Methods for Safety Evaluation of Cosmetics) to fulfill this purpose. On the same website, our aim is to provide updates on current alternative research methods in Korea. The database will not be used directly to conduct safety evaluations, but researchers or regulatory individuals can use it to facilitate their work in formulating safety evaluations for cosmetic materials. We hope this database will help establish new alternative research methods to conduct efficient safety evaluations of cosmetic materials. PMID:27437094

Applying cognitive load theory to the redesign of a conventional database systems course

NASA Astrophysics Data System (ADS)

Mason, Raina; Seton, Carolyn; Cooper, Graham

2016-01-01

Cognitive load theory (CLT) was used to redesign a Database Systems course for Information Technology students. The redesign was intended to address poor student performance and low satisfaction, and to provide a more relevant foundation in database design and use for subsequent studies and industry. The original course followed the conventional structure for a database course, covering database design first, then database development. Analysis showed the conventional course content was appropriate but the instructional materials used were too complex, especially for novice students. The redesign of instructional materials applied CLT to remove split attention and redundancy effects, to provide suitable worked examples and sub-goals, and included an extensive re-sequencing of content. The approach was primarily directed towards mid- to lower performing students and results showed a significant improvement for this cohort with the exam failure rate reducing by 34% after the redesign on identical final exams. Student satisfaction also increased and feedback from subsequent study was very positive. The application of CLT to the design of instructional materials is discussed for delivery of technical courses.

Construction of crystal structure prototype database: methods and applications

NASA Astrophysics Data System (ADS)

Su, Chuanxun; Lv, Jian; Li, Quan; Wang, Hui; Zhang, Lijun; Wang, Yanchao; Ma, Yanming

2017-04-01

Crystal structure prototype data have become a useful source of information for materials discovery in the fields of crystallography, chemistry, physics, and materials science. This work reports the development of a robust and efficient method for assessing the similarity of structures on the basis of their interatomic distances. Using this method, we proposed a simple and unambiguous definition of crystal structure prototype based on hierarchical clustering theory, and constructed the crystal structure prototype database (CSPD) by filtering the known crystallographic structures in a database. With similar method, a program structure prototype analysis package (SPAP) was developed to remove similar structures in CALYPSO prediction results and extract predicted low energy structures for a separate theoretical structure database. A series of statistics describing the distribution of crystal structure prototypes in the CSPD was compiled to provide an important insight for structure prediction and high-throughput calculations. Illustrative examples of the application of the proposed database are given, including the generation of initial structures for structure prediction and determination of the prototype structure in databases. These examples demonstrate the CSPD to be a generally applicable and useful tool for materials discovery.

A Web-based Alternative Non-animal Method Database for Safety Cosmetic Evaluations.

PubMed

Kim, Seung Won; Kim, Bae-Hwan

2016-07-01

Animal testing was used traditionally in the cosmetics industry to confirm product safety, but has begun to be banned; alternative methods to replace animal experiments are either in development, or are being validated, worldwide. Research data related to test substances are critical for developing novel alternative tests. Moreover, safety information on cosmetic materials has neither been collected in a database nor shared among researchers. Therefore, it is imperative to build and share a database of safety information on toxicological mechanisms and pathways collected through in vivo, in vitro, and in silico methods. We developed the CAMSEC database (named after the research team; the Consortium of Alternative Methods for Safety Evaluation of Cosmetics) to fulfill this purpose. On the same website, our aim is to provide updates on current alternative research methods in Korea. The database will not be used directly to conduct safety evaluations, but researchers or regulatory individuals can use it to facilitate their work in formulating safety evaluations for cosmetic materials. We hope this database will help establish new alternative research methods to conduct efficient safety evaluations of cosmetic materials.

Development and characterization of a 3D high-resolution terrain database

NASA Astrophysics Data System (ADS)

Wilkosz, Aaron; Williams, Bryan L.; Motz, Steve

2000-07-01

A top-level description of methods used to generate elements of a high resolution 3D characterization database is presented. The database elements are defined as ground plane elevation map, vegetation height elevation map, material classification map, discrete man-made object map, and temperature radiance map. The paper will cover data collection by means of aerial photography, techniques of soft photogrammetry used to derive the elevation data, and the methodology followed to generate the material classification map. The discussion will feature the development of the database elements covering Fort Greely, Alaska. The developed databases are used by the US Army Aviation and Missile Command to evaluate the performance of various missile systems.

A Methodolgy, Based on Analytical Modeling, for the Design of Parallel and Distributed Architectures for Relational Database Query Processors.

DTIC Science & Technology

1987-12-01

Application Programs Intelligent Disk Database Controller Manangement System Operating System Host .1’ I% Figure 2. Intelligent Disk Controller Application...8217. /- - • Database Control -% Manangement System Disk Data Controller Application Programs Operating Host I"" Figure 5. Processor-Per- Head data. Therefore, the...However. these ad- ditional properties have been proven in classical set and relation theory [75]. These additional properties are described here

Improving taxonomic accuracy for fungi in public sequence databases: applying ‘one name one species’ in well-defined genera with Trichoderma/Hypocrea as a test case

PubMed Central

Strope, Pooja K; Chaverri, Priscila; Gazis, Romina; Ciufo, Stacy; Domrachev, Michael; Schoch, Conrad L

2017-01-01

Abstract The ITS (nuclear ribosomal internal transcribed spacer) RefSeq database at the National Center for Biotechnology Information (NCBI) is dedicated to the clear association between name, specimen and sequence data. This database is focused on sequences obtained from type material stored in public collections. While the initial ITS sequence curation effort together with numerous fungal taxonomy experts attempted to cover as many orders as possible, we extended our latest focus to the family and genus ranks. We focused on Trichoderma for several reasons, mainly because the asexual and sexual synonyms were well documented, and a list of proposed names and type material were recently proposed and published. In this case study the recent taxonomic information was applied to do a complete taxonomic audit for the genus Trichoderma in the NCBI Taxonomy database. A name status report is available here: https://www.ncbi.nlm.nih.gov/Taxonomy/TaxIdentifier/tax_identifier.cgi. As a result, the ITS RefSeq Targeted Loci database at NCBI has been augmented with more sequences from type and verified material from Trichoderma species. Additionally, to aid in the cross referencing of data from single loci and genomes we have collected a list of quality records of the RPB2 gene obtained from type material in GenBank that could help validate future submissions. During the process of curation misidentified genomes were discovered, and sequence records from type material were found hidden under previous classifications. Source metadata curation, although more cumbersome, proved to be useful as confirmation of the type material designation. Database URL: http://www.ncbi.nlm.nih.gov/bioproject/PRJNA177353 PMID:29220466

Numerical Mantle Convection Models With a Flexible Thermodynamic Interface

NASA Astrophysics Data System (ADS)

van den Berg, A. P.; Jacobs, M. H.; de Jong, B. H.

2001-12-01

Accurate material properties are needed for deep mantle (P,T) conditions in order to predict the longterm behavior of convection planetary mantles. Also the interpretation of seismological observations concerning the deep mantle in terms of mantle flow models calls for a consistent thermodynamical description of the basic physical parameters. We have interfaced a compressible convection code using the anelastic liquid approach based on finite element methods, to a database containing a full thermodynamic description of mantle silicates (Ita and King, J. Geophys. Res., 99, 15,939-15,940, 1994). The model is based on high resolution (P,T) tables of the relevant thermodynamic properties containing typically 50 million (P,T) table gridpoints to obtain resolution in (P,T) space of 1 K and an equivalent of 1 km. The resulting model is completely flexible such that numerical mantle convection experiments can be performed for any mantle composition for which the thermodynamic database is available. We present results of experiments for 2D cartesian models using a data base for magnesium-iron silicate in a pyrolitic composition (Stixrude and Bukowinski, Geoph.Monogr.Ser., 74, 131-142, 1993) and a recent thermodynamical model for magnesium silicate for the complete mantle (P,T) range, (Jacobs and Oonk, Phys. Chem. Mineral, 269, inpress 2001). Preliminary results of bulksound velocity distribution derived in a consistent way from the convection results and the thermodynamic database show a `realistic' mantle profile with bulkvelocity variations decreasing from several percent in the upper mantle to less than a percent in the deep lower mantle.

LigandBox: A database for 3D structures of chemical compounds

PubMed Central

Kawabata, Takeshi; Sugihara, Yusuke; Fukunishi, Yoshifumi; Nakamura, Haruki

2013-01-01

A database for the 3D structures of available compounds is essential for the virtual screening by molecular docking. We have developed the LigandBox database (http://ligandbox.protein.osaka-u.ac.jp/ligandbox/) containing four million available compounds, collected from the catalogues of 37 commercial suppliers, and approved drugs and biochemical compounds taken from KEGG_DRUG, KEGG_COMPOUND and PDB databases. Each chemical compound in the database has several 3D conformers with hydrogen atoms and atomic charges, which are ready to be docked into receptors using docking programs. The 3D conformations were generated using our molecular simulation program package, myPresto. Various physical properties, such as aqueous solubility (LogS) and carcinogenicity have also been calculated to characterize the ADME-Tox properties of the compounds. The Web database provides two services for compound searches: a property/chemical ID search and a chemical structure search. The chemical structure search is performed by a descriptor search and a maximum common substructure (MCS) search combination, using our program kcombu. By specifying a query chemical structure, users can find similar compounds among the millions of compounds in the database within a few minutes. Our database is expected to assist a wide range of researchers, in the fields of medical science, chemical biology, and biochemistry, who are seeking to discover active chemical compounds by the virtual screening. PMID:27493549

LigandBox: A database for 3D structures of chemical compounds.

PubMed

Kawabata, Takeshi; Sugihara, Yusuke; Fukunishi, Yoshifumi; Nakamura, Haruki

2013-01-01

A database for the 3D structures of available compounds is essential for the virtual screening by molecular docking. We have developed the LigandBox database (http://ligandbox.protein.osaka-u.ac.jp/ligandbox/) containing four million available compounds, collected from the catalogues of 37 commercial suppliers, and approved drugs and biochemical compounds taken from KEGG_DRUG, KEGG_COMPOUND and PDB databases. Each chemical compound in the database has several 3D conformers with hydrogen atoms and atomic charges, which are ready to be docked into receptors using docking programs. The 3D conformations were generated using our molecular simulation program package, myPresto. Various physical properties, such as aqueous solubility (LogS) and carcinogenicity have also been calculated to characterize the ADME-Tox properties of the compounds. The Web database provides two services for compound searches: a property/chemical ID search and a chemical structure search. The chemical structure search is performed by a descriptor search and a maximum common substructure (MCS) search combination, using our program kcombu. By specifying a query chemical structure, users can find similar compounds among the millions of compounds in the database within a few minutes. Our database is expected to assist a wide range of researchers, in the fields of medical science, chemical biology, and biochemistry, who are seeking to discover active chemical compounds by the virtual screening.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Calm, J.M.

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to property, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufactures and those using alternative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern. The database provides bibliographic citations and abstracts for publications that may be useful in research and design of air-conditioning and refrigeration equipment. The complete documents are not included, though some maymore » be added at a later date. The database identifies sources of specific information on many refrigerants including propane, ammonia, water, carbon dioxide, propylene, ethers, and others as well as azeotropic and zeotropic blends of these fluids. It addresses lubricants including alkylbenzene, polyalkylene glycol, polyolester, and other synthetics as well as mineral oils. It also references documents addressing compatibility of refrigerants and lubricants with metals, plastics, elastomers, motor insulation, and other materials used in refrigerant circuits. Incomplete citations or abstracts are provided for some documents. They are included to accelerate availability of the information and will be completed or replaced in future updates.« less

S-World: A high resolution global soil database for simulation modelling (Invited)

NASA Astrophysics Data System (ADS)

Stoorvogel, J. J.

2013-12-01

There is an increasing call for high resolution soil information at the global level. A good example for such a call is the Global Gridded Crop Model Intercomparison carried out within AgMIP. While local studies can make use of surveying techniques to collect additional techniques this is practically impossible at the global level. It is therefore important to rely on legacy data like the Harmonized World Soil Database. Several efforts do exist that aim at the development of global gridded soil property databases. These estimates of the variation of soil properties can be used to assess e.g., global soil carbon stocks. However, they do not allow for simulation runs with e.g., crop growth simulation models as these models require a description of the entire pedon rather than a few soil properties. This study provides the required quantitative description of pedons at a 1 km resolution for simulation modelling. It uses the Harmonized World Soil Database (HWSD) for the spatial distribution of soil types, the ISRIC-WISE soil profile database to derive information on soil properties per soil type, and a range of co-variables on topography, climate, and land cover to further disaggregate the available data. The methodology aims to take stock of these available data. The soil database is developed in five main steps. Step 1: All 148 soil types are ordered on the basis of their expected topographic position using e.g., drainage, salinization, and pedogenesis. Using the topographic ordering and combining the HWSD with a digital elevation model allows for the spatial disaggregation of the composite soil units. This results in a new soil map with homogeneous soil units. Step 2: The ranges of major soil properties for the topsoil and subsoil of each of the 148 soil types are derived from the ISRIC-WISE soil profile database. Step 3: A model of soil formation is developed that focuses on the basic conceptual question where we are within the range of a particular soil property at a particular location given a specific soil type. The soil properties are predicted for each grid cell based on the soil type, the corresponding ranges of soil properties, and the co-variables. Step 4: Standard depth profiles are developed for each of the soil types using the diagnostic criteria of the soil types and soil profile information from the ISRIC-WISE database. The standard soil profiles are combined with the the predicted values for the topsoil and subsoil yielding unique soil profiles at each location. Step 5: In a final step, additional soil properties are added to the database using averages for the soil types and pedo-transfer functions. The methodology, denominated S-World (Soils of the World), results in readily available global maps with quantitative pedon data for modelling purposes. It forms the basis for the Global Gridded Crop Model Intercomparison carried out within AgMIP.

An Initial Design of ISO 19152:2012 LADM Based Valuation and Taxation Data Model

NASA Astrophysics Data System (ADS)

Çağdaş, V.; Kara, A.; van Oosterom, P.; Lemmen, C.; Işıkdağ, Ü.; Kathmann, R.; Stubkjær, E.

2016-10-01

A fiscal registry or database is supposed to record geometric, legal, physical, economic, and environmental characteristics in relation to property units, which are subject to immovable property valuation and taxation. Apart from procedural standards, there is no internationally accepted data standard that defines the semantics of fiscal databases. The ISO 19152:2012 Land Administration Domain Model (LADM), as an international land administration standard focuses on legal requirements, but considers out of scope specifications of external information systems including valuation and taxation databases. However, it provides a formalism which allows for an extension that responds to the fiscal requirements. This paper introduces an initial version of a LADM - Fiscal Extension Module for the specification of databases used in immovable property valuation and taxation. The extension module is designed to facilitate all stages of immovable property taxation, namely the identification of properties and taxpayers, assessment of properties through single or mass appraisal procedures, automatic generation of sales statistics, and the management of tax collection, dealing with arrears and appeals. It is expected that the initial version will be refined through further activities held by a possible joint working group under FIG Commission 7 (Cadastre and Land Management) and FIG Commission 9 (Valuation and the Management of Real Estate) in collaboration with other relevant international bodies.

Satellite Contamination and Materials Outgassing Knowledgebase - An Interactive Database Reference

NASA Technical Reports Server (NTRS)

Green, D. B.; Burns, Dewitt (Technical Monitor)

2001-01-01

The goal of this program is to collect at one site much of the knowledge accumulated about the outgassing properties of aerospace materials based on ground testing, the effects of this outgassing observed on spacecraft in flight, and the broader contamination environment measured by instruments on-orbit. We believe that this Web site will help move contamination a step forward, away from anecdotal folklore toward engineering discipline. Our hope is that once operational, this site will form a nucleus for information exchange, that users will not only take information from our knowledge base, but also provide new information from ground testing and space missions, expanding and increasing the value of this site to all. We urge Government and industry users to endorse this approach that will reduce redundant testing, reduce unnecessary delays, permit uniform comparisons, and permit informed decisions.

Karlsruhe Database for Radioactive Wastes (KADABRA) - Accounting and Management System for Radioactive Waste Treatment - 12275

DOE Office of Scientific and Technical Information (OSTI.GOV)

Himmerkus, Felix; Rittmeyer, Cornelia

2012-07-01

The data management system KADABRA was designed according to the purposes of the Cen-tral Decontamination Department (HDB) of the Wiederaufarbeitungsanlage Karlsruhe Rueckbau- und Entsorgungs-GmbH (WAK GmbH), which is specialized in the treatment and conditioning of radioactive waste. The layout considers the major treatment processes of the HDB as well as regulatory and legal requirements. KADABRA is designed as an SAG ADABAS application on IBM system Z mainframe. The main function of the system is the data management of all processes related to treatment, transfer and storage of radioactive material within HDB. KADABRA records the relevant data concerning radioactive residues, interimmore » products and waste products as well as the production parameters relevant for final disposal. Analytical data from the laboratory and non destructive assay systems, that describe the chemical and radiological properties of residues, production batches, interim products as well as final waste products, can be linked to the respective dataset for documentation and declaration. The system enables the operator to trace the radioactive material through processing and storage. Information on the actual sta-tus of the material as well as radiological data and storage position can be gained immediately on request. A variety of programs accessed to the database allow the generation of individual reports on periodic or special request. KADABRA offers a high security standard and is constantly adapted to the recent requirements of the organization. (authors)« less

40 CFR 312.26 - Reviews of Federal, State, Tribal, and local government records.

Code of Federal Regulations, 2010 CFR

2010-07-01

... use restrictions, applicable to the subject property. (c) With regard to nearby or adjoining properties, the review of federal, tribal, state, and local government records or databases of government... records of reported releases or threatened releases. Such records or databases containing such records and...

Using a Materials Database System as the Backbone for a Certified Quality System (AS/NZS ISO 9001:1994) for a Distance Education Centre.

ERIC Educational Resources Information Center

Hughes, Norm

The Distance Education Center (DEC) of the University of Southern Queensland (Australia) has developed a unique materials database system which is used to monitor pre-production, design and development, production and post-production planning, scheduling, and distribution of all types of materials including courses offered only on the Internet. In…

Berkeley Lab - Materials Sciences Division

Science.gov Websites

Postdoc Forum Research Highlights Awards Publications Database Events Calendar Newsletter Archive People Database Events Calendar Newsletter Archive Send us your research highlights. Reserch Highlight Template (powerpoint) Publications Database The MSD publications database has been updated to include all FY2014

Determination of the five parameter grain boundary character distribution of nanocrystalline alpha-zirconium thin films using transmission electron microscopy

DOE PAGES

Ghamarian, I.; Samani, P.; Rohrer, G. S.; ...

2017-03-24

Grain boundary engineering and other fundamental materials science problems (e.g., phase transformations and physical properties) require an improvement in the understanding of the type and population of grain boundaries in a given system – yet, databases are limited in number and spare in detail, including for hcp crystals such as zirconium. One way to rapidly obtain databases to analyze is to use small-grained materials and high spatial resolution orientation microscopy techniques, such as ASTAR™/precession electron diffraction. To demonstrate this, a study of grain boundary character distributions was conducted for α-zirconium deposited at room temperature on fused silica substrates using physicalmore » vapor deposition. The orientation maps of the nanocrystalline thin films were acquired by the ASTARα/precession electron diffraction technique, a new transmission electron microscope based orientation microscopy method. The reconstructed grain boundaries were classified as pure tilt, pure twist, 180°-twist and 180°-tilt grain boundaries based on the distribution of grain boundary planes with respect to the angle/axis of misorientation associated with grain boundaries. The results of the current study were compared to the results of a similar study on α-titanium and the molecular dynamics results of grain boundary energy for α-titanium.« less

Low activation steels welding with PWHT and coating for ITER test blanket modules and DEMO

NASA Astrophysics Data System (ADS)

Aubert, P.; Tavassoli, F.; Rieth, M.; Diegele, E.; Poitevin, Y.

2011-02-01

EUROFER weldability is investigated in support of the European material properties database and TBM manufacturing. Electron Beam, Hybrid, laser and narrow gap TIG processes have been carried out on the EUROFER-97 steel (thickness up to 40 mm), a reduced activation ferritic-martensitic steel developed in Europe. These welding processes produce similar welding results with high joint coefficients and are well adapted for minimizing residual distortions. The fusion zones are typically composed of martensite laths, with small grain sizes. In the heat-affected zones, martensite grains contain carbide precipitates. High hardness values are measured in all these zones that if not tempered would degrade toughness and creep resistance. PWHT developments have driven to a one-step PWHT (750 °C/3 h), successfully applied to joints restoring good material performances. It will produce less distortion levels than a full austenitization PWHT process, not really applicable to a complex welded structure such as the TBM. Different tungsten coatings have been successfully processed on EUROFER material. It has shown no really effect on the EUROFER base material microstructure.

Space shuttle propellant constitutive law verification tests

NASA Technical Reports Server (NTRS)

Thompson, James R.

1995-01-01

As part of the Propellants Task (Task 2.0) on the Solid Propulsion Integrity Program (SPIP), a database of material properties was generated for the Space Shuttle Redesigned Solid Rocket Motor (RSRM) PBAN-based propellant. A parallel effort on the Propellants Task was the generation of an improved constitutive theory for the PBAN propellant suitable for use in a finite element analysis (FEA) of the RSRM. The outcome of an analysis with the improved constitutive theory would be more reliable prediction of structural margins of safety. The work described in this report was performed by Materials Laboratory personnel at Thiokol Corporation/Huntsville Division under NASA contract NAS8-39619, Mod. 3. The report documents the test procedures for the refinement and verification tests for the improved Space Shuttle RSRM propellant material model, and summarizes the resulting test data. TP-H1148 propellant obtained from mix E660411 (manufactured February 1989) which had experienced ambient igloo storage in Huntsville, Alabama since January 1990, was used for these tests.

Designing shear-thinning

NASA Astrophysics Data System (ADS)

Nelson, Arif Z.; Ewoldt, Randy H.

2017-11-01

Design in fluid mechanics often focuses on optimizing geometry (airfoils, surface textures, microfluid channels), but here we focus on designing fluids themselves. The dramatically shear-thinning ``yield-stress fluid'' is currently the most utilized non-Newtonian fluid phenomenon. These rheologically complex materials, which undergo a reversible transition from solid-like to liquid-like fluid flow, are utilized in pedestrian products such as paint and toothpaste, but also in emerging applications like direct-write 3D printing. We present a paradigm for yield-stress fluid design that considers constitutive model representation, material property databases, available predictive scaling laws, and the many ways to achieve a yield stress fluid, flipping the typical structure-to-rheology analysis to become the inverse: rheology-to-structure with multiple possible materials as solutions. We describe case studies of 3D printing inks and other flow scenarios where designed shear-thinning enables performance remarkably beyond that of Newtonian fluids. This work was supported by Wm. Wrigley Jr. Company and the National Science Foundation under Grant No. CMMI-1463203.

High-throughput characterization for solar fuels materials discovery

NASA Astrophysics Data System (ADS)

Mitrovic, Slobodan; Becerra, Natalie; Cornell, Earl; Guevarra, Dan; Haber, Joel; Jin, Jian; Jones, Ryan; Kan, Kevin; Marcin, Martin; Newhouse, Paul; Soedarmadji, Edwin; Suram, Santosh; Xiang, Chengxiang; Gregoire, John; High-Throughput Experimentation Team

2014-03-01

In this talk I will present the status of the High-Throughput Experimentation (HTE) project of the Joint Center for Artificial Photosynthesis (JCAP). JCAP is an Energy Innovation Hub of the U.S. Department of Energy with a mandate to deliver a solar fuel generator based on an integrated photoelectrochemical cell (PEC). However, efficient and commercially viable catalysts or light absorbers for the PEC do not exist. The mission of HTE is to provide the accelerated discovery through combinatorial synthesis and rapid screening of material properties. The HTE pipeline also features high-throughput material characterization using x-ray diffraction and x-ray photoemission spectroscopy (XPS). In this talk I present the currently operating pipeline and focus on our combinatorial XPS efforts to build the largest free database of spectra from mixed-metal oxides, nitrides, sulfides and alloys. This work was performed at Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award No. DE-SC0004993.

Structuring intuition with theory: The high-throughput way

NASA Astrophysics Data System (ADS)

Fornari, Marco

2015-03-01

First principles methodologies have grown in accuracy and applicability to the point where large databases can be built, shared, and analyzed with the goal of predicting novel compositions, optimizing functional properties, and discovering unexpected relationships between the data. In order to be useful to a large community of users, data should be standardized, validated, and distributed. In addition, tools to easily manage large datasets should be made available to effectively lead to materials development. Within the AFLOW consortium we have developed a simple frame to expand, validate, and mine data repositories: the MTFrame. Our minimalistic approach complement AFLOW and other existing high-throughput infrastructures and aims to integrate data generation with data analysis. We present few examples from our work on materials for energy conversion. Our intent s to pinpoint the usefulness of high-throughput methodologies to guide the discovery process by quantitatively structuring the scientific intuition. This work was supported by ONR-MURI under Contract N00014-13-1-0635 and the Duke University Center for Materials Genomics.

Plan for Developing a Materials Performance Database for the Texas Department of Transportation

DOT National Transportation Integrated Search

1999-09-01

The materials used within the Texas Department of Transportation (TxDOT) are undergoing a period of change. The purpose of this report is to develop the information necessary to develop (for TxDOT) a method or a database for monitoring the performanc...

Identifying Differences among Novice Database Users: Implications for Training Material Effectiveness.

ERIC Educational Resources Information Center

Antonucci, Yvonne Lederer; Wozny, Lucy Anne

1996-01-01

Identifies and describes sublevels of novices using a database management package, clustering those whose interaction is effective, partially effective, and totally ineffective. Among assistance documentation, functional tree diagrams (FTDs) were more beneficial to partially effective users than traditional reference material. The results have…

A Computational Chemistry Database for Semiconductor Processing

NASA Technical Reports Server (NTRS)

Jaffe, R.; Meyyappan, M.; Arnold, J. O. (Technical Monitor)

1998-01-01

The concept of 'virtual reactor' or 'virtual prototyping' has received much attention recently in the semiconductor industry. Commercial codes to simulate thermal CVD and plasma processes have become available to aid in equipment and process design efforts, The virtual prototyping effort would go nowhere if codes do not come with a reliable database of chemical and physical properties of gases involved in semiconductor processing. Commercial code vendors have no capabilities to generate such a database, rather leave the task to the user of finding whatever is needed. While individual investigations of interesting chemical systems continue at Universities, there has not been any large scale effort to create a database. In this presentation, we outline our efforts in this area. Our effort focuses on the following five areas: 1. Thermal CVD reaction mechanism and rate constants. 2. Thermochemical properties. 3. Transport properties.4. Electron-molecule collision cross sections. and 5. Gas-surface interactions.

Natural radioactivity in building materials in the European Union: a database and an estimate of radiological significance.

PubMed

Trevisi, R; Risica, S; D'Alessandro, M; Paradiso, D; Nuccetelli, C

2012-02-01

The authors set up a database of activity concentration measurements of natural radionuclides (²²⁶Ra, ²³²Th and ⁴⁰K) in building material. It contains about 10,000 samples of both bulk material (bricks, concrete, cement, natural- and phosphogypsum, sedimentary and igneous bulk stones) and superficial material (igneous and metamorphic stones) used in the construction industry in most European Union Member States. The database allowed the authors to calculate the activity concentration index I--suggested by a European technical guidance document and recently used as a basis for elaborating the draft Euratom Basic Safety Standards Directive--for bricks, concrete and phosphogypsum used in the European Union. Moreover, the percentage could be assessed of materials possibly subject to restrictions, if either of the two dose criteria proposed by the technical guidance were to be adopted. Copyright © 2011 Elsevier Ltd. All rights reserved.

High-throughput density functional calculations to optimize properties and interfacial chemistry of piezoelectric materials

NASA Astrophysics Data System (ADS)

Barr, Jordan A.; Lin, Fang-Yin; Ashton, Michael; Hennig, Richard G.; Sinnott, Susan B.

2018-02-01

High-throughput density functional theory calculations are conducted to search through 1572 A B O3 compounds to find a potential replacement material for lead zirconate titanate (PZT) that exhibits the same excellent piezoelectric properties as PZT and lacks both its use of the toxic element lead (Pb) and the formation of secondary alloy phases with platinum (Pt) electrodes. The first screening criterion employed a search through the Materials Project database to find A -B combinations that do not form ternary compounds with Pt. The second screening criterion aimed to eliminate potential candidates through first-principles calculations of their electronic structure, in which compounds with a band gap of 0.25 eV or higher were retained. Third, thermodynamic stability calculations were used to compare the candidates in a Pt environment to compounds already calculated to be stable within the Materials Project. Formation energies below or equal to 100 meV/atom were considered to be thermodynamically stable. The fourth screening criterion employed lattice misfit to identify those candidate perovskites that have low misfit with the Pt electrode and high misfit of potential secondary phases that can be formed when Pt alloys with the different A and B components. To aid in the final analysis, dynamic stability calculations were used to determine those perovskites that have dynamic instabilities that favor the ferroelectric distortion. Analysis of the data finds three perovskites warranting further investigation: CsNb O3 , RbNb O3 , and CsTa O3 .

An evaluation of complementary approaches to elucidate fundamental interfacial phenomena driving adhesion of energetic materials

DOE PAGES

Hoss, Darby J.; Knepper, Robert; Hotchkiss, Peter J.; ...

2016-03-23

In this study, cohesive Hamaker constants of solid materials are measured via optical and dielectric properties (i.e., Lifshitz theory), inverse gas chromatography (IGC), and contact angle measurements. To date, however, a comparison across these measurement techniques for common energetic materials has not been reported. This has been due to the inability of the community to produce samples of energetic materials that are readily compatible with contact angle measurements. Here we overcome this limitation by using physical vapor deposition to produce thin films of five common energetic materials, and the contact angle measurement approach is applied to estimate the cohesive Hamakermore » constants and surface energy components of the materials. The cohesive Hamaker constants range from 85 zJ to 135 zJ across the different films. When these Hamaker constants are compared to prior work using Lifshitz theory and nonpolar probe IGC, the relative magnitudes can be ordered as follows: contact angle > Lifshitz > IGC. Furthermore, the dispersive surface energy components estimated here are in good agreement with those estimated by IGC. Due to these results, researchers and technologists will now have access to a comprehensive database of adhesion constants which describe the behavior of these energetic materials over a range of settings.« less

Nano-scale gene delivery systems; current technology, obstacles, and future directions.

PubMed

Garcia-Guerra, Antonio; Dunwell, Thomas L; Trigueros, Sonia

2018-01-07

Within the different applications of nanomedicine currently being developed, nano-gene delivery is appearing as an exciting new technique with the possibility to overcome recognised hurdles and fulfill several biological and medical needs. The central component of all delivery systems is the requirement for the delivery of genetic material into cells, and for them to eventually reside in the nucleus where their desired function will be exposed. However, genetic material does not passively enter cells; thus, a delivery system is necessary. The emerging field of nano-gene delivery exploits the use of new materials and the properties that arise at the nanometre-scale to produce delivery vectors that can effectively deliver genetic material into a variety of different types of cells. The novel physicochemical properties of the new delivery vectors can be used to address the current challenges existing in nucleic acid delivery in vitro and in vivo. While there is a growing interest in nanostructure-based gene delivery, the field is still in its infancy, and there is yet much to discover about nanostructures and their physicochemical properties in a biological context. We carry out an organized and focused search of bibliographic databases. Our results suggest that despite new breakthroughs in nanostructure synthesis and advanced characterization techniques, we still face many barriers in producing highly efficient and non-toxic delivery systems. In this review, we overview the types of systems currently used for clinical and biomedical research applications along with their advantages and disadvantages, as well as discussing barriers that arise from nano-scale interactions with biological material. In conclusion, we hope that by bringing the far reaching multidisciplinary nature of nano-gene delivery to light, new targeted nanotechnology-bases strategies are developed to overcome the major challenges covered in this review. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Holistic computational structure screening of more than 12,000 candidates for solid lithium-ion conductor materials

NASA Astrophysics Data System (ADS)

Sendek, Austin D.; Yang, Qian; Cubuk, Ekin D.; Duerloo, Karel-Alexander N.; Cui, Yi; Reed, Evan J.

We present a new type of large-scale computational screening approach for identifying promising candidate materials for solid state electrolytes for lithium ion batteries that is capable of screening all known lithium containing solids. To predict the likelihood of a candidate material exhibiting high lithium ion conductivity, we leverage machine learning techniques to train an ionic conductivity classification model using logistic regression based on experimental measurements reported in the literature. This model, which is built on easily calculable atomistic descriptors, provides new insight into the structure-property relationship for superionic behavior in solids and is approximately one million times faster to evaluate than DFT-based approaches to calculating diffusion coefficients or migration barriers. We couple this model with several other technologically motivated heuristics to reduce the list of candidate materials from the more than 12,000 known lithium containing solids to 21 structures that show promise as electrolytes, few of which have been examined experimentally. Our screening utilizes structures and electronic information contained in the Materials Project database. This work is supported by an Office of Technology Licensing Fellowship through the Stanford Graduate Fellowship Program and a seed Grant from the TomKat Center for Sustainable Energy at Stanford.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gregory Corman; Krishan Luthra

This report covers work performed under the Continuous Fiber Ceramic Composites (CFCC) program by GE Global Research and its partners from 1994 through 2005. The processing of prepreg-derived, melt infiltrated (MI) composite systems based on monofilament and multifilament tow SiC fibers is described. Extensive mechanical and environmental exposure characterizations were performed on these systems, as well as on competing Ceramic Matrix Composite (CMC) systems. Although current monofilament SiC fibers have inherent oxidative stability limitations due to their carbon surface coatings, the MI CMC system based on multifilament tow (Hi-Nicalon ) proved to have excellent mechanical, thermal and time-dependent properties. Themore » materials database generated from the material testing was used to design turbine hot gas path components, namely the shroud and combustor liner, utilizing the CMC materials. The feasibility of using such MI CMC materials in gas turbine engines was demonstrated via combustion rig testing of turbine shrouds and combustor liners, and through field engine tests of shrouds in a 2MW engine for >1000 hours. A unique combustion test facility was also developed that allowed coupons of the CMC materials to be exposed to high-pressure, high-velocity combustion gas environments for times up to {approx}4000 hours.« less

Time-varying BRDFs.

PubMed

Sun, Bo; Sunkavalli, Kalyan; Ramamoorthi, Ravi; Belhumeur, Peter N; Nayar, Shree K

2007-01-01

The properties of virtually all real-world materials change with time, causing their bidirectional reflectance distribution functions (BRDFs) to be time varying. However, none of the existing BRDF models and databases take time variation into consideration; they represent the appearance of a material at a single time instance. In this paper, we address the acquisition, analysis, modeling, and rendering of a wide range of time-varying BRDFs (TVBRDFs). We have developed an acquisition system that is capable of sampling a material's BRDF at multiple time instances, with each time sample acquired within 36 sec. We have used this acquisition system to measure the BRDFs of a wide range of time-varying phenomena, which include the drying of various types of paints (watercolor, spray, and oil), the drying of wet rough surfaces (cement, plaster, and fabrics), the accumulation of dusts (household and joint compound) on surfaces, and the melting of materials (chocolate). Analytic BRDF functions are fit to these measurements and the model parameters' variations with time are analyzed. Each category exhibits interesting and sometimes nonintuitive parameter trends. These parameter trends are then used to develop analytic TVBRDF models. The analytic TVBRDF models enable us to apply effects such as paint drying and dust accumulation to arbitrary surfaces and novel materials.

A Physically Based Correlation of Irradiation-Induced Transition Temperature Shifts for RPV Steels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eason, Ernest D.; Odette, George Robert; Nanstad, Randy K

2007-11-01

The reactor pressure vessels (RPVs) of commercial nuclear power plants are subject to embrittlement due to exposure to high-energy neutrons from the core, which causes changes in material toughness properties that increase with radiation exposure and are affected by many variables. Irradiation embrittlement of RPV beltline materials is currently evaluated using Regulatory Guide 1.99 Revision 2 (RG1.99/2), which presents methods for estimating the shift in Charpy transition temperature at 30 ft-lb (TTS) and the drop in Charpy upper shelf energy (ΔUSE). The purpose of the work reported here is to improve on the TTS correlation model in RG1.99/2 using themore » broader database now available and current understanding of embrittlement mechanisms. The USE database and models have not been updated since the publication of NUREG/CR-6551 and, therefore, are not discussed in this report. The revised embrittlement shift model is calibrated and validated on a substantially larger, better-balanced database compared to prior models, including over five times the amount of data used to develop RG1.99/2. It also contains about 27% more data than the most recent update to the surveillance shift database, in 2000. The key areas expanded in the current database relative to the database available in 2000 are low-flux, low-copper, and long-time, high-fluence exposures, all areas that were previously relatively sparse. All old and new surveillance data were reviewed for completeness, duplicates, and discrepancies in cooperation with the American Society for Testing and Materials (ASTM) Subcommittee E10.02 on Radiation Effects in Structural Materials. In the present modeling effort, a 10% random sample of data was reserved from the fitting process, and most aspects of the model were validated with that sample as well as other data not used in calibration. The model is a hybrid, incorporating both physically motivated features and empirical calibration to the U.S. power reactor surveillance data. It contains two terms, corresponding to the best-understood radiation damage features, matrix damage and copper-rich precipitates, although the empirical calibration will ensure that all other damage processes that are occurring are also reflected in those terms. Effects of material chemical composition, product form, and radiation exposure are incorporated, such that all effects are supported by findings of statistical significance, physical understanding, or comparison with independent data from controlled experiments, such as the Irradiation Variable (IVAR) Program. In most variable effects, the model is supported by two or three of these different forms of evidence. The key variable trends, such as the neutron fluence dependence and copper-nickel dependence in the new TTS model, are much improved over RG1.99/2 and are well supported by independent data and the current understanding of embrittlement mechanisms. The new model includes the variables copper, nickel, and fluence that are in RG1.99/2, but also includes effects of irradiation temperature, neutron flux, phosphorus, and manganese. The calibrated model is a good fit, with no significant residual error trends in any of the variables used in the model or several additional variables and variable interactions that were investigated. The report includes a chapter summarizing the current understanding of embrittlement mechanisms and one comparing the IVAR database with the TTS model predictions. Generally good agreement is found in that quantitative comparison, providing independent confirmation of the predictive capability of the TTS model. The key new insight in the TTS modeling effort, that flux effects are evident in both low (or no) copper and higher copper materials, is supported by the IVAR data. The slightly simplified version of the TTS model presented in Section 7.3 of this report is recommended for applications.« less

Why Save Your Course as a Relational Database?

ERIC Educational Resources Information Center

Hamilton, Gregory C.; Katz, David L.; Davis, James E.

2000-01-01

Describes a system that stores course materials for computer-based training programs in a relational database called Of Course! Outlines the basic structure of the databases; explains distinctions between Of Course! and other authoring languages; and describes how data is retrieved from the database and presented to the student. (Author/LRW)

Deppdb--DNA electrostatic potential properties database: electrostatic properties of genome DNA.

PubMed

Osypov, Alexander A; Krutinin, Gleb G; Kamzolova, Svetlana G

2010-06-01

The electrostatic properties of genome DNA influence its interactions with different proteins, in particular, the regulation of transcription by RNA-polymerases. DEPPDB--DNA Electrostatic Potential Properties Database--was developed to hold and provide all available information on the electrostatic properties of genome DNA combined with its sequence and annotation of biological and structural properties of genome elements and whole genomes. Genomes in DEPPDB are organized on a taxonomical basis. Currently, the database contains all the completely sequenced bacterial and viral genomes according to NCBI RefSeq. General properties of the genome DNA electrostatic potential profile and principles of its formation are revealed. This potential correlates with the GC content but does not correspond to it exactly and strongly depends on both the sequence arrangement and its context (flanking regions). Analysis of the promoter regions for bacterial and viral RNA polymerases revealed a correspondence between the scale of these proteins' physical properties and electrostatic profile patterns. We also discovered a direct correlation between the potential value and the binding frequency of RNA polymerase to DNA, supporting the idea of the role of electrostatics in these interactions. This matches a pronounced tendency of the promoter regions to possess higher values of the electrostatic potential.

Surficial and bedrock geologic map database of the Kelso 7.5 Minute quadrangle, San Bernardino County, California

USGS Publications Warehouse

Bedford, David R.

2003-01-01

This geologic map database describes geologic materials for the Kelso 7.5 Minute Quadrangle, San Bernardino County, California. The area lies in eastern Mojave Desert of California, within the Mojave National Preserve (a unit of the National Parks system). Geologic deposits in the area consist of Proterozoic metamorphic rocks, Cambrian-Neoproterozoic sedimentary rocks, Mesozoic plutonic and hypabyssal rocks, Tertiary basin fill, and Quaternary surficial deposits. Bedrock deposits are described by composition, texture, and stratigraphic relationships. Quaternary surficial deposits are classified into soil-geomorphic surfaces based on soil characteristics, inset relationships, and geomorphic expression. The surficial geology presented in this report is especially useful to understand, and extrapolate, physical properties that influence surface conditions, and surface- and soil-water dynamics. Physical characteristics such as pavement development, soil horizonation, and hydraulic characteristics have shown to be some of the primary drivers of ecologic dynamics, including recovery of those ecosystems to anthropogenic disturbance, in the eastern Mojave Desert and other arid and semi-arid environments.

ThermoData Engine Database - Pure Compounds and Binary Mixtures

National Institute of Standards and Technology Data Gateway

SRD 103b NIST ThermoData Engine Version 6.0 - Pure CompoThermoData Engine Database - Pure Compounds and Binary Mixtures (PC database for purchase)   This database contains property data for more than 21,000 pure compounds, 37,500 binary mixtures, 10,000 ternary mixtures, and 6,000 chemical reactions.

Spectral signature verification using statistical analysis and text mining

NASA Astrophysics Data System (ADS)

DeCoster, Mallory E.; Firpi, Alexe H.; Jacobs, Samantha K.; Cone, Shelli R.; Tzeng, Nigel H.; Rodriguez, Benjamin M.

2016-05-01

In the spectral science community, numerous spectral signatures are stored in databases representative of many sample materials collected from a variety of spectrometers and spectroscopists. Due to the variety and variability of the spectra that comprise many spectral databases, it is necessary to establish a metric for validating the quality of spectral signatures. This has been an area of great discussion and debate in the spectral science community. This paper discusses a method that independently validates two different aspects of a spectral signature to arrive at a final qualitative assessment; the textual meta-data and numerical spectral data. Results associated with the spectral data stored in the Signature Database1 (SigDB) are proposed. The numerical data comprising a sample material's spectrum is validated based on statistical properties derived from an ideal population set. The quality of the test spectrum is ranked based on a spectral angle mapper (SAM) comparison to the mean spectrum derived from the population set. Additionally, the contextual data of a test spectrum is qualitatively analyzed using lexical analysis text mining. This technique analyzes to understand the syntax of the meta-data to provide local learning patterns and trends within the spectral data, indicative of the test spectrum's quality. Text mining applications have successfully been implemented for security2 (text encryption/decryption), biomedical3 , and marketing4 applications. The text mining lexical analysis algorithm is trained on the meta-data patterns of a subset of high and low quality spectra, in order to have a model to apply to the entire SigDB data set. The statistical and textual methods combine to assess the quality of a test spectrum existing in a database without the need of an expert user. This method has been compared to other validation methods accepted by the spectral science community, and has provided promising results when a baseline spectral signature is present for comparison. The spectral validation method proposed is described from a practical application and analytical perspective.

A New NIST Database for the Simulation of Electron Spectra for Surface Analysis (SESSA): Application to Angle-Resolved X-ray Photoelectron Spectroscopy of HfO2, ZrO2, HfSiO4, and ZrSiO4 Films on Silicon

NASA Astrophysics Data System (ADS)

Powell, C. J.; Smekal, W.; Werner, W. S. M.

2005-09-01

We describe a new NIST database for the Simulation of Electron Spectra for Surface Analysis (SESSA). This database provides data for the many parameters needed in quantitative Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS). In addition, AES and XPS spectra can be simulated for layered samples. The simulated spectra, for layer compositions and thicknesses specified by the user, can be compared with measured spectra. The layer compositions and thicknesses can then be adjusted to find maximum consistency between simulated and measured spectra. In this way, AES and XPS can provide more detailed characterization of multilayer thin-film materials. We report on the use of SESSA for determining the thicknesses of HfO2, ZrO2, HfSiO4, and ZrSiO4 films on Si by angle-resolved XPS. Practical effective attenuation lengths (EALs) have been computed from SESSA as a function of film thickness and photoelectron emission angle (i.e., to simulate the effects of tilting the sample). These EALs have been compared with similar values obtained from the NIST Electron Effective-Attenuation-Length Database (SRD 82). Generally good agreement was found between corresponding EAL values, but there were differences for film thicknesses less than the inelastic mean free path of the photoelectrons in the overlayer film. These differences are due to a simplifying approximation in the algorithm used to compute EALs in SRD 82. SESSA, with realistic cross sections for elastic and inelastic scattering in the film and substrate materials, is believed to provide more accurate EALs than SRD 82 for thin-film thickness measurements, particularly in applications where the film and substrate have different electron-scattering properties.

A New NIST Database for the Simulation of Electron Spectra for Surface Analysis (SESSA): Application to Angle-Resolved X-ray Photoelectron Spectroscopy of HfO2, ZrO2, HfSiO4, and ZrSiO4 Films on Silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Powell, C.J.; Smekal, W.; Werner, W.S.M.

2005-09-09

We describe a new NIST database for the Simulation of Electron Spectra for Surface Analysis (SESSA). This database provides data for the many parameters needed in quantitative Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS). In addition, AES and XPS spectra can be simulated for layered samples. The simulated spectra, for layer compositions and thicknesses specified by the user, can be compared with measured spectra. The layer compositions and thicknesses can then be adjusted to find maximum consistency between simulated and measured spectra. In this way, AES and XPS can provide more detailed characterization of multilayer thin-film materials. Wemore » report on the use of SESSA for determining the thicknesses of HfO2, ZrO2, HfSiO4, and ZrSiO4 films on Si by angle-resolved XPS. Practical effective attenuation lengths (EALs) have been computed from SESSA as a function of film thickness and photoelectron emission angle (i.e., to simulate the effects of tilting the sample). These EALs have been compared with similar values obtained from the NIST Electron Effective-Attenuation-Length Database (SRD 82). Generally good agreement was found between corresponding EAL values, but there were differences for film thicknesses less than the inelastic mean free path of the photoelectrons in the overlayer film. These differences are due to a simplifying approximation in the algorithm used to compute EALs in SRD 82. SESSA, with realistic cross sections for elastic and inelastic scattering in the film and substrate materials, is believed to provide more accurate EALs than SRD 82 for thin-film thickness measurements, particularly in applications where the film and substrate have different electron-scattering properties.« less

Intrinsic Radiation Source Generation with the ISC Package: Data Comparisons and Benchmarking

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solomon, Clell J. Jr.

The characterization of radioactive emissions from unstable isotopes (intrinsic radiation) is necessary for shielding and radiological-dose calculations from radioactive materials. While most radiation transport codes, e.g., MCNP [X-5 Monte Carlo Team, 2003], provide the capability to input user prescribed source definitions, such as radioactive emissions, they do not provide the capability to calculate the correct radioactive-source definition given the material compositions. Special modifications to MCNP have been developed in the past to allow the user to specify an intrinsic source, but these modification have not been implemented into the primary source base [Estes et al., 1988]. To facilitate the descriptionmore » of the intrinsic radiation source from a material with a specific composition, the Intrinsic Source Constructor library (LIBISC) and MCNP Intrinsic Source Constructor (MISC) utility have been written. The combination of LIBISC and MISC will be herein referred to as the ISC package. LIBISC is a statically linkable C++ library that provides the necessary functionality to construct the intrinsic-radiation source generated by a material. Furthermore, LIBISC provides the ability use different particle-emission databases, radioactive-decay databases, and natural-abundance databases allowing the user flexibility in the specification of the source, if one database is preferred over others. LIBISC also provides functionality for aging materials and producing a thick-target bremsstrahlung photon source approximation from the electron emissions. The MISC utility links to LIBISC and facilitates the description of intrinsic-radiation sources into a format directly usable with the MCNP transport code. Through a series of input keywords and arguments the MISC user can specify the material, age the material if desired, and produce a source description of the radioactive emissions from the material in an MCNP readable format. Further details of using the MISC utility can be obtained from the user guide [Solomon, 2012]. The remainder of this report presents a discussion of the databases available to LIBISC and MISC, a discussion of the models employed by LIBISC, a comparison of the thick-target bremsstrahlung model employed, a benchmark comparison to plutonium and depleted-uranium spheres, and a comparison of the available particle-emission databases.« less

Suppression of radiation-induced point defects by rhenium and osmium interstitials in tungsten

PubMed Central

Suzudo, Tomoaki; Hasegawa, Akira

2016-01-01

Modeling the evolution of radiation-induced defects is important for finding radiation-resistant materials, which would be greatly appreciated in nuclear applications. We apply the density functional theory combined with comprehensive analyses of massive experimental database to indicate a mechanism to mitigate the effect of radiation on W crystals by adding particular solute elements that change the migration property of interstitials. The resultant mechanism is applicable to any body-centered-cubic (BCC) metals whose self-interstitial atoms become a stable crowdion and is expected to provide a general guideline for computational design of radiation-resistant alloys in the field of nuclear applications. PMID:27824134

Nuclear waste forms for actinides

PubMed Central

Ewing, Rodney C.

1999-01-01

The disposition of actinides, most recently 239Pu from dismantled nuclear weapons, requires effective containment of waste generated by the nuclear fuel cycle. Because actinides (e.g., 239Pu and 237Np) are long-lived, they have a major impact on risk assessments of geologic repositories. Thus, demonstrable, long-term chemical and mechanical durability are essential properties of waste forms for the immobilization of actinides. Mineralogic and geologic studies provide excellent candidate phases for immobilization and a unique database that cannot be duplicated by a purely materials science approach. The “mineralogic approach” is illustrated by a discussion of zircon as a phase for the immobilization of excess weapons plutonium. PMID:10097054

Metal oxide based multisensor array and portable database for field analysis of antioxidants

PubMed Central

Sharpe, Erica; Bradley, Ryan; Frasco, Thalia; Jayathilaka, Dilhani; Marsh, Amanda; Andreescu, Silvana

2014-01-01

We report a novel chemical sensing array based on metal oxide nanoparticles as a portable and inexpensive paper-based colorimetric method for polyphenol detection and field characterization of antioxidant containing samples. Multiple metal oxide nanoparticles with various polyphenol binding properties were used as active sensing materials to develop the sensor array and establish a database of polyphenol standards that include epigallocatechin gallate, gallic acid, resveratrol, and Trolox among others. Unique charge-transfer complexes are formed between each polyphenol and each metal oxide on the surface of individual sensors in the array, creating distinct optically detectable signals which have been quantified and logged into a reference database for polyphenol identification. The field-portable Pantone/X-Rite© CapSure® color reader was used to create this database and to facilitate rapid colorimetric analysis. The use of multiple metal-oxide sensors allows for cross-validation of results and increases accuracy of analysis. The database has enabled successful identification and quantification of antioxidant constituents within real botanical extractions including green tea. Formation of charge-transfer complexes is also correlated with antioxidant activity exhibiting electron transfer capabilities of each polyphenol. The antioxidant activity of each sample was calculated and validated against the oxygen radical absorbance capacity (ORAC) assay showing good comparability. The results indicate that this method can be successfully used for a more comprehensive analysis of antioxidant containing samples as compared to conventional methods. This technology can greatly simplify investigations into plant phenolics and make possible the on-site determination of antioxidant composition and activity in remote locations. PMID:24610993

Guidelines for establishing and maintaining construction quality databases : tech brief.

DOT National Transportation Integrated Search

2006-12-01

Construction quality databases contain a variety of construction-related data that characterize the quality of materials and workmanship. The primary purpose of construction quality databases is to help State highway agencies (SHAs) assess the qualit...

Vitamin and Mineral Supplement Fact Sheets

MedlinePlus

... Dictionary of Dietary Supplement Terms Dietary Supplement Label Database (DSLD) Información en español Consumer information in Spanish ... Analytical Methods and Reference Materials Dietary Supplement Label Database (DSLD) Dietary Supplement Ingredient Database (DSID) Computer Access ...

CANCER PREVENTION AND CONTROL (CP) DATABASE

EPA Science Inventory

This database focuses on breast, cervical, skin, and colorectal cancer emphasizing the application of early detection and control program activities and risk reduction efforts. The database provides bibliographic citations and abstracts of various types of materials including jou...

Algorithms and methodology used in constructing high-resolution terrain databases

NASA Astrophysics Data System (ADS)

Williams, Bryan L.; Wilkosz, Aaron

1998-07-01

This paper presents a top-level description of methods used to generate high-resolution 3D IR digital terrain databases using soft photogrammetry. The 3D IR database is derived from aerial photography and is made up of digital ground plane elevation map, vegetation height elevation map, material classification map, object data (tanks, buildings, etc.), and temperature radiance map. Steps required to generate some of these elements are outlined. The use of metric photogrammetry is discussed in the context of elevation map development; and methods employed to generate the material classification maps are given. The developed databases are used by the US Army Aviation and Missile Command to evaluate the performance of various missile systems. A discussion is also presented on database certification which consists of validation, verification, and accreditation procedures followed to certify that the developed databases give a true representation of the area of interest, and are fully compatible with the targeted digital simulators.

Stockpile Dismantlement Database Training Materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1993-11-01

This document, the Stockpile Dismantlement Database (SDDB) training materials is designed to familiarize the user with the SDDB windowing system and the data entry steps for Component Characterization for Disposition. The foundation of information required for every part is depicted by using numbered graphic and text steps. The individual entering data is lead step by step through generic and specific examples. These training materials are intended to be supplements to individual on-the-job training.

Structure for Storing Properties of Particles (PoP)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patel, N. R.; Mattoon, C. M.; Beck, B. R.

2014-06-01

Some evaluated nuclear databases are critical for applications such as nuclear energy, nuclear medicine, homeland security, and stockpile stewardship. Particle masses, nuclear excitation levels, and other “Properties of Particles” are essential for making evaluated nuclear databases. Currently, these properties are obtained from various databases that are stored in outdated formats. Moreover, the “Properties of Particles” (PoP) structure is being designed that will allow storing all information for one or more particles in a single place, so that each evaluation, simulation, model calculation, etc. can link to the same data. Information provided in PoP will include properties of nuclei, gammas andmore » electrons (along with other particles such as pions, as evaluations extend to higher energies). Presently, PoP includes masses from the Atomic Mass Evaluation version 2003 (AME2003), and level schemes and gamma decays from the Reference Input Parameter Library (RIPL-3). The data are stored in a hierarchical structure. An example of how PoP stores nuclear masses and energy levels will be presented here.« less

Structure for Storing Properties of Particles (PoP)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patel, N.R., E-mail: infinidhi@llnl.gov; Mattoon, C.M.; Beck, B.R.

2014-06-15

Evaluated nuclear databases are critical for applications such as nuclear energy, nuclear medicine, homeland security, and stockpile stewardship. Particle masses, nuclear excitation levels, and other “Properties of Particles” are essential for making evaluated nuclear databases. Currently, these properties are obtained from various databases that are stored in outdated formats. A “Properties of Particles” (PoP) structure is being designed that will allow storing all information for one or more particles in a single place, so that each evaluation, simulation, model calculation, etc. can link to the same data. Information provided in PoP will include properties of nuclei, gammas and electrons (alongmore » with other particles such as pions, as evaluations extend to higher energies). Presently, PoP includes masses from the Atomic Mass Evaluation version 2003 (AME2003), and level schemes and gamma decays from the Reference Input Parameter Library (RIPL-3). The data are stored in a hierarchical structure. An example of how PoP stores nuclear masses and energy levels will be presented here.« less

Starting a European Space Agency Sample Analogue Collection for Robotic Exploration Missions

NASA Astrophysics Data System (ADS)

Smith, C. L.; Mavris, C.; Michalski, J. R.; Rumsey, M. S.; Russell, S. S.; Jones, C.; Schroeven-Deceuninck, H.

2015-12-01

The Natural History Museum is working closely with the European Space Agency (ESA) and the UK Space Agency to develop a European collection of analogue materials with appropriate physical/mechanical and chemical (mineralogical) properties which can support the development and verification of both spacecraft and scientific systems for potential science and exploration missions to Phobos/Deimos, Mars, C-type asteroids and the Moon. As an ESA Collection it will be housed at the ESA Centre based at Harwell, UK. The "ESA Sample Analogues Collection" will be composed of both natural and artificial materials chosen to (as closely as possible) replicate the surfaces and near-surfaces of different Solar System target bodies of exploration interest. The analogue samples will be fully characterised in terms of both their physical/mechanical properties (compressive strength, bulk density, grain shape, grain size, cohesion and angle of internal friction) and their chemical/mineralogical properties (texture, modal mineralogy, bulk chemical composition - major, minor and trace elements and individual mineralogical compositions). The Collection will be fully curated to international standards including implementation of a user-friendly database and will be available for use by engineers and scientists across the UK and Europe. Enhancement of the initial Collection will be possible through collaborations with other ESA and UK Space Agency supported activities, such as the acquisition of new samples during field trials.

Learning and retention through predictive inference and classification.

PubMed

Sakamoto, Yasuaki; Love, Bradley C

2010-12-01

Work in category learning addresses how humans acquire knowledge and, thus, should inform classroom practices. In two experiments, we apply and evaluate intuitions garnered from laboratory-based research in category learning to learning tasks situated in an educational context. In Experiment 1, learning through predictive inference and classification were compared for fifth-grade students using class-related materials. Making inferences about properties of category members and receiving feedback led to the acquisition of both queried (i.e., tested) properties and nonqueried properties that were correlated with a queried property (e.g., even if not queried, students learned about a species' habitat because it correlated with a queried property, like the species' size). In contrast, classifying items according to their species and receiving feedback led to knowledge of only the property most diagnostic of category membership. After multiple-day delay, the fifth-graders who learned through inference selectively retained information about the queried properties, and the fifth-graders who learned through classification retained information about the diagnostic property, indicating a role for explicit evaluation in establishing memories. Overall, inference learning resulted in fewer errors, better retention, and more liking of the categories than did classification learning. Experiment 2 revealed that querying a property only a few times was enough to manifest the full benefits of inference learning in undergraduate students. These results suggest that classroom teaching should emphasize reasoning from the category to multiple properties rather than from a set of properties to the category. (PsycINFO Database Record (c) 2010 APA, all rights reserved).

SAbDab: the structural antibody database

PubMed Central

Dunbar, James; Krawczyk, Konrad; Leem, Jinwoo; Baker, Terry; Fuchs, Angelika; Georges, Guy; Shi, Jiye; Deane, Charlotte M.

2014-01-01

Structural antibody database (SAbDab; http://opig.stats.ox.ac.uk/webapps/sabdab) is an online resource containing all the publicly available antibody structures annotated and presented in a consistent fashion. The data are annotated with several properties including experimental information, gene details, correct heavy and light chain pairings, antigen details and, where available, antibody–antigen binding affinity. The user can select structures, according to these attributes as well as structural properties such as complementarity determining region loop conformation and variable domain orientation. Individual structures, datasets and the complete database can be downloaded. PMID:24214988

Effect of Material Ion Exchanges on the Mechanical Stiffness Properties and Shear Deformation of Hydrated Cement Material Chemistry Structure C-S-H Jennite -- A Computational Modeling Study

NASA Astrophysics Data System (ADS)

Adebiyi, Babatunde Mattew

Material properties and performance are governed by material molecular chemistry structures and molecular level interactions. Methods to understand relationships between the material properties and performance and their correlation to the molecular level chemistry and morphology, and thus find ways of manipulating and adjusting matters at the atomistic level in order to improve material performance, are required. A computational material modeling methodology is investigated and demonstrated for a key cement hydrated component material chemistry structure of Calcium-Silicate-Hydrate (C-S-H) Jennite in this work. The effect of material ion exchanges on the mechanical stiffness properties and shear deformation behavior of hydrated cement material chemistry structure of Calcium Silicate Hydrate (C-S-H) Jennite was studied. Calcium ions were replaced with Magnesium ions in Jennite structure of the C-S-H gel. Different level of substitution of the ions was used. The traditional Jennite structure was obtained from the American Mineralogist Crystal Structure Database and super cells of the structures were created using a Molecular Dynamics Analyzer and Visualizer Material Studio. Molecular dynamics parameters used in the modeling analysis were determined by carrying out initial dynamic studies. 64 unit cell of C-S-H Jennite was used in material modeling analysis studies based on convergence results obtained from the elastic modulus and total energies. NVT forcite dynamics using COMPASS force field based on 200 ps dynamics time was used to determine mechanical modulus of the traditional C-S-H gel and the Magnesium ion modified structures. NVT Discover dynamics using COMPASS forcefield was used in the material modeling studies to investigate the influence of ionic exchange on the shear deformation of the associated material chemistry structures. A prior established quasi-static deformation method to emulate shear deformation of C-S-H material chemistry structure that is based on a triclinic crystal structure was used, by deforming the triclinic crystal structure at 0.2 degree per time step for 75 steps of deformation. It was observed that there is a decrease in the total energies of the systems as the percentage of magnesium ion increases in the C-S-H Jennite molecular structure systems. Investigation of effect of ion exchange on the elastic modulus shows that the elastic stiffness modulus tends to decrease as the amount of Mg in the systems increases, using either COMPASS or universal force field. On the other hand, shear moduli obtained after deforming the structures computed from the stress-strain curve obtained from material modeling increases as the amount of Mg increases in the system. The present investigations also showed that ultimate shear stress obtained from predicted shear stress---strain also increases with amount of Mg in the chemistry structure. Present study clearly demonstrates that computational material modeling following molecular dynamics analysis methodology is an effective way to predict and understand the effective material chemistry and additive changes on the stiffness and deformation characteristics in cementitious materials, and the results suggest that this method can be extended to other materials.

Materials for advanced ultrasupercritical steam turbines

DOE Office of Scientific and Technical Information (OSTI.GOV)

Purgert, Robert; Shingledecker, John; Saha, Deepak

The U.S. Department of Energy (DOE) and the Ohio Coal Development Office (OCDO) have sponsored a project aimed at identifying, evaluating, and qualifying the materials needed for the construction of the critical components of coal-fired power plants capable of operating at much higher efficiencies than the current generation of supercritical plants. This increased efficiency is expected to be achieved principally through the use of advanced ultrasupercritical (A-USC) steam conditions. A limiting factor in this can be the materials of construction for boilers and for steam turbines. The overall project goal is to assess/develop materials technology that will enable achieving turbinemore » throttle steam conditions of 760°C (1400°F)/35MPa (5000 psi). This final technical report covers the research completed by the General Electric Company (GE) and Electric Power Research Institute (EPRI), with support from Oak Ridge National Laboratory (ORNL) and the National Energy Technology Laboratory (NETL) – Albany Research Center, to develop the A-USC steam turbine materials technology to meet the overall project goals. Specifically, this report summarizes the industrial scale-up and materials property database development for non-welded rotors (disc forgings), buckets (blades), bolting, castings (needed for casing and valve bodies), casting weld repair, and casting to pipe welding. Additionally, the report provides an engineering and economic assessment of an A-USC power plant without and with partial carbon capture and storage. This research project successfully demonstrated the materials technology at a sufficient scale and with corresponding materials property data to enable the design of an A-USC steam turbine. The key accomplishments included the development of a triple-melt and forged Haynes 282 disc for bolted rotor construction, long-term property development for Nimonic 105 for blading and bolting, successful scale-up of Haynes 282 and Nimonic 263 castings using traditional sand foundry practices, and a techno-economic study of an A-USC plant including cost estimates for an A-USC turbine which showed A-USC to be economically attractive for partial carbon and capture compared to today’s USC technology. Based on this successful materials research and a review with U.S. utility stakeholders, a new project to develop a component test facility (ComTest) including the world’s first A-USC turbine has been proposed to continue the technology development.« less

Evaluation of Graphite Fiber/Polyimide PMCs from Hot Melt vs Solution Prepreg

NASA Technical Reports Server (NTRS)

Shin, E. Eugene; Sutter, James K.; Eakin, Howard; Inghram, Linda; McCorkle, Linda; Scheiman, Dan; Papadopoulos, Demetrios; Thesken, John; Fink, Jeffrey E.

2002-01-01

Carbon fiber reinforced high temperature polymer matrix composites (PMC) have been extensively investigated as potential weight reduction replacements of various metallic components in next generation high performance propulsion rocket engines. The initial phase involves development of comprehensive composite material-process-structure-design-property-in-service performance correlations and database, especially for a high stiffness facesheet of various sandwich structures. Overview of the program plan, technical approaches and current multi-team efforts will be presented. During composite fabrication, it was found that the two large volume commercial prepregging methods (hot-melt vs. solution) resulted in considerably different composite cure behavior. Details of the process-induced physical and chemical modifications in the prepregs, their effects on composite processing, and systematic cure cycle optimization studies will be discussed. The combined effects of prepregging method and cure cycle modification on composite properties and isothermal aging performance were also evaluated.

Rating the strength of coal mine roof rocks. Information circular/1996

DOE Office of Scientific and Technical Information (OSTI.GOV)

Molinda, G.M.; Mark, C.

1996-05-01

The Ferm pictoral classification of coal measure rocks is widely utilized in coalfield exploration. Although extremely useful as an alternative to conventional geologic description, no material properties are provided that would be suitable for engineering solutions. To remedy this problem, the USBM has tested over 30 common coal measure roof rock types for axial and bedding strength. More than 1,300 individual point load tests have been conducted on core from 8 different coal mines representing the full range of common coal measure rocks. The USBM core and roof exposure properties database has been merged with the picture classification to provide,more » for the first time, a simple, clear guide from field identification of core to the associated mechanical strength of the rock. For 33 of the most common roof rocks, the axial and diametral point load strength, as well as the ultimate unit rating, is overprinted onto the photograph.« less

Metastable structure of Li13Si4

NASA Astrophysics Data System (ADS)

Gruber, Thomas; Bahmann, Silvia; Kortus, Jens

2016-04-01

The Li13Si4 phase is one out of several crystalline lithium silicide phases, which is a potential electrode material for lithium ion batteries and contains a high theoretical specific capacity. By means of ab initio methods like density functional theory (DFT) many properties such as heat capacity or heat of formation can be calculated. These properties are based on the calculation of phonon frequencies, which contain information about the thermodynamical stability. The current unit cell of "Li13Si4" given in the ICSD database is unstable with respect to DFT calculations. We propose a modified unit cell that is stable in the calculations. The evolutionary algorithm EVO found a structure very similar to the ICSD one with both of them containing metastable lithium positions. Molecular dynamic simulations show a phase transition between both structures where these metastable lithium atoms move. This phase transition is achieved by a very fast one-dimensional lithium diffusion and stabilizes this phase.

Evaluation of Graphite Fiber/Polyimide PMCs from Hot Melt versus Solution Prepreg

NASA Technical Reports Server (NTRS)

Shin, Eugene E.; Sutter, James K.; Eakin, Howard; Inghram, Linda; McCorkle, Linda; Scheiman, Dan; Papadopoulos, Demetrios; Thesken, John; Fink, Jeffrey E.; Gray, Hugh R. (Technical Monitor)

2002-01-01

Carbon fiber reinforced high temperature polymer matrix composites (PMC) have been extensively investigated as potential weight reduction replacements of various metallic components in next generation high performance propulsion rocket engines. The initial phase involves development of comprehensive composite material-process-structure-design-property in-service performance correlations and database, especially for a high stiffness facesheet of various sandwich structures. Overview of the program plan, technical approaches and current multi-team efforts will be presented. During composite fabrication, it was found that the two large volume commercial prepregging methods (hot-melt vs. solution) resulted in considerably different composite cure behavior. Details of the process-induced physical and chemical modifications in the prepregs, their effects on composite processing, and systematic cure cycle optimization studies will be discussed. The combined effects of prepregging method and cure cycle modification on composite properties and isothermal aging performance were also evaluated.

PropBase Query Layer: a single portal to UK subsurface physical property databases

NASA Astrophysics Data System (ADS)

Kingdon, Andrew; Nayembil, Martin L.; Richardson, Anne E.; Smith, A. Graham

2013-04-01

Until recently, the delivery of geological information for industry and public was achieved by geological mapping. Now pervasively available computers mean that 3D geological models can deliver realistic representations of the geometric location of geological units, represented as shells or volumes. The next phase of this process is to populate these with physical properties data that describe subsurface heterogeneity and its associated uncertainty. Achieving this requires capture and serving of physical, hydrological and other property information from diverse sources to populate these models. The British Geological Survey (BGS) holds large volumes of subsurface property data, derived both from their own research data collection and also other, often commercially derived data sources. This can be voxelated to incorporate this data into the models to demonstrate property variation within the subsurface geometry. All property data held by BGS has for many years been stored in relational databases to ensure their long-term continuity. However these have, by necessity, complex structures; each database contains positional reference data and model information, and also metadata such as sample identification information and attributes that define the source and processing. Whilst this is critical to assessing these analyses, it also hugely complicates the understanding of variability of the property under assessment and requires multiple queries to study related datasets making extracting physical properties from these databases difficult. Therefore the PropBase Query Layer has been created to allow simplified aggregation and extraction of all related data and its presentation of complex data in simple, mostly denormalized, tables which combine information from multiple databases into a single system. The structure from each relational database is denormalized in a generalised structure, so that each dataset can be viewed together in a common format using a simple interface. Data are re-engineered to facilitate easy loading. The query layer structure comprises tables, procedures, functions, triggers, views and materialised views. The structure contains a main table PRB_DATA which contains all of the data with the following attribution: • a unique identifier • the data source • the unique identifier from the parent database for traceability • the 3D location • the property type • the property value • the units • necessary qualifiers • precision information and an audit trail Data sources, property type and units are constrained by dictionaries, a key component of the structure which defines what properties and inheritance hierarchies are to be coded and also guides the process as to what and how these are extracted from the structure. Data types served by the Query Layer include site investigation derived geotechnical data, hydrogeology datasets, regional geochemistry, geophysical logs as well as lithological and borehole metadata. The size and complexity of the data sets with multiple parent structures requires a technically robust approach to keep the layer synchronised. This is achieved through Oracle procedures written in PL/SQL containing the logic required to carry out the data manipulation (inserts, updates, deletes) to keep the layer synchronised with the underlying databases either as regular scheduled jobs (weekly, monthly etc) or invoked on demand. The PropBase Query Layer's implementation has enabled rapid data discovery, visualisation and interpretation of geological data with greater ease, simplifying the parametrisation of 3D model volumes and facilitating the study of intra-unit heterogeneity.

Infrared Database for Process Support Materials

NASA Technical Reports Server (NTRS)

Bennett, K. E.; Boothe, R. E.; Burns, H. D.

2003-01-01

Process support materials' compatibility with cleaning processes is critical to ensure final hardware cleanliness and that performance requirements are met. Previous discovery of potential contaminants in process materials shows the need for incoming materials testing and establishment of a process materials database. The Contamination Control Team of the Materials, Processes, and Manufacturing (MP&M) Department at Marshall Space Flight Center (MSFC) has initiated the development of such an infrared (IR) database, called the MSFC Process Materials IR database, of the common process support materials used at MSFC. These process support materials include solvents, wiper cloths, gloves, bagging materials, etc. Testing includes evaluation of the potential of gloves, wiper cloths, and other items to transfer contamination to handled articles in the absence of solvent exposure, and the potential for solvent exposure to induce material degradation. This Technical Memorandum (TM) summarizes the initial testing completed through December 2002. It is anticipated that additional testing will be conducted with updates provided in future TMs.Materials were analyzed using two different IR techniques: (1) Dry transference and (2) liquid extraction testing. The first of these techniques utilized the Nicolet Magna 750 IR spectrometer outfitted with a horizontal attenuated total reflectance (HATR) crystal accessory. The region from 650 to 4,000 wave numbers was analyzed, and 50 scans were performed per IR spectrum. A dry transference test was conducted by applying each sample with hand pressure to the HATR crystal to first obtain a spectrum of the parent material. The material was then removed from the HATR crystal and analyzed to determine the presence of any residues. If volatile, liquid samples were examined both prior to and following evaporation.The second technique was to perform an extraction test with each sample in five different solvents.Once the scans were complete for both the dry transference and the extraction tests, the residue from each scan was interpreted.

Multigenerational information: the example of the Icelandic Genealogy Database.

PubMed

Tulinius, Hrafn

2011-01-01

The first part of the chapter describes the Icelandic Genealogical Database, how it was created, what it contains, and how it operates. In the second part, an overview of research accomplished with material from the database is given.

First Look--The Aerospace Database.

ERIC Educational Resources Information Center

Kavanagh, Stephen K.; Miller, Jay G.

1986-01-01

Presents overview prepared by producer of database newly available in 1985 that covers 10 subject categories: engineering, geosciences, chemistry and materials, space sciences, aeronautics, astronautics, mathematical and computer sciences, physics, social sciences, and life sciences. Database development, unique features, document delivery, sample…

The role of material engineering within the concept of an integrated water resources management

NASA Astrophysics Data System (ADS)

Breiner, Raphael; Müller, Harald S.

2016-09-01

By means of a case study, the successful implementation of a rheologically optimised cement-based mortar for the construction as well as for the rehabilitation of rain water cisterns is presented in this paper. The material was developed within the scope of a German-Indonesian joint project ["Integrated Water Resources Management" (IWRM)], funded by the German Federal Ministry of Education and Research. Comprehensive rheological investigations are presented which provide the database for the optimization of the mortar with regard to its intended range of application. For the selection of the source materials, special emphasis was placed on the ready availability at low cost. The rheological properties of the fresh mortar allow an easy workability by hand while the hardened mortar shows a durable and tight appearance at the same time. The developed material can be used as a coating for walls, floors and ceilings of cisterns, for the local rehabilitation of damaged areas only or even as a construction material for complete new cisterns. The future multiplication of the IWRM project results within the region was assured by a local capacity development when the presented material concept was applied in practise in Indonesia for the construction of sustainable rain water cisterns in Gunung Kidul.

The distribution of common construction materials at risk to acid deposition in the United States

NASA Astrophysics Data System (ADS)

Lipfert, Frederick W.; Daum, Mary L.

Information on the geographic distribution of various types of exposed materials is required to estimate the economic costs of damage to construction materials from acid deposition. This paper focuses on the identification, evaluation and interpretation of data describing the distributions of exterior construction materials, primarily in the United States. This information could provide guidance on how data needed for future economic assessments might be acquired in the most cost-effective ways. Materials distribution surveys from 16 cities in the U.S. and Canada and five related databases from government agencies and trade organizations were examined. Data on residential buildings are more commonly available than on nonresidential buildings; little geographically resolved information on distributions of materials in infrastructure was found. Survey results generally agree with the appropriate ancillary databases, but the usefulness of the databases is often limited by their coarse spatial resolution. Information on those materials which are most sensitive to acid deposition is especially scarce. Since a comprehensive error analysis has never been performed on the data required for an economic assessment, it is not possible to specify the corresponding detailed requirements for data on the distributions of materials.

A global database of seismically and non-seismically triggered landslides for 2D/3D numerical modeling

NASA Astrophysics Data System (ADS)

Domej, Gisela; Bourdeau, Céline; Lenti, Luca; Pluta, Kacper

2017-04-01

Landsliding is a worldwide common phenomenon. Every year, and ranging in size from very small to enormous, landslides cause all too often loss of life and disastrous damage to infrastructure, property and the environment. One main reason for more frequent catastrophes is the growth of population on the Earth which entails extending urbanization to areas at risk. Landslides are triggered by a variety and combination of causes, among which the role of water and seismic activity appear to have the most serious consequences. In this regard, seismic shaking is of particular interest since topographic elevation as well as the landslide mass itself can trap waves and hence amplify incoming surface waves - a phenomenon known as "site effects". Research on the topic of landsliding due to seismic and non-seismic activity is extensive and a broad spectrum of methods for modeling slope deformation is available. Those methods range from pseudo-static and rigid-block based models to numerical models. The majority is limited to 2D modeling since more sophisticated approaches in 3D are still under development or calibration. However, the effect of lateral confinement as well as the mechanical properties of the adjacent bedrock might be of great importance because they may enhance the focusing of trapped waves in the landslide mass. A database was created to study 3D landslide geometries. It currently contains 277 distinct seismically and non-seismically triggered landslides spread all around the globe whose rupture bodies were measured in all available details. Therefore a specific methodology was developed to maintain predefined standards, to keep the bias as low as possible and to set up a query tool to explore the database. Besides geometry, additional information such as location, date, triggering factors, material, sliding mechanisms, event chronology, consequences, related literature, among other things are stored for every case. The aim of the database is to enable statistical analysis on a vast and newly updated set of data and to create numerical models in the future. It is possible to define groups of landslides sharing the same characteristics, or cases belonging to different groups can be used to compare their responses to external loads. Thus, different options exist to create input data for numerical models. This is very promising especially considering the possibility of comparing 2D and 3D models having the same framework conditions (i.e. geometry, material, etc.). Comparison of 2D and 3D approaches might contribute to a better understanding of landsliding phenomena to improve the hazard prevention.

TheraCal LC: From Biochemical and Bioactive Properties to Clinical Applications

PubMed Central

Rabi, Tarek

2018-01-01

Background Direct pulp capping is a popular treatment modality among dentists. TheraCal LC is a calcium silicate-based material that is designed as a direct/indirect pulp capping material. The material might be very attractive for clinicians because of its ease of handling. Unlike other calcium silicate-based materials, TheraCal LC is resin-based and does not require any conditioning of the dentine surface. The material can be bonded with different types of adhesives directly after application. There has been considerable research performed on this material since its launching; however, there are no review articles that collates information and data obtained from these studies. This review discusses the various characteristics of the material with the aim of establishing a better understanding for its clinical use. Methods A search was conducted using search engines (PubMed and Cochrane databases) in addition to reference mining of the articles that was used to locate other papers. The process of searching for the relevant studies was performed using the keywords pulp protection, pulp capping, TheraCal, and calcium silicates. Only articles in English published in peer-reviewed journals were included in the review. Conclusion This review underlines the fact that further in vitro and in vivo studies are required before TheraCal LC can be used as a direct pulp capping material. PMID:29785184

Selecting Data-Base Management Software for Microcomputers in Libraries and Information Units.

ERIC Educational Resources Information Center

Pieska, K. A. O.

1986-01-01

Presents a model for the evaluation of database management systems software from the viewpoint of librarians and information specialists. The properties of data management systems, database management systems, and text retrieval systems are outlined and compared. (10 references) (CLB)

DEPPDB - DNA electrostatic potential properties database. Electrostatic properties of genome DNA elements.

PubMed

Osypov, Alexander A; Krutinin, Gleb G; Krutinina, Eugenia A; Kamzolova, Svetlana G

2012-04-01

Electrostatic properties of genome DNA are important to its interactions with different proteins, in particular, related to transcription. DEPPDB - DNA Electrostatic Potential (and other Physical) Properties Database - provides information on the electrostatic and other physical properties of genome DNA combined with its sequence and annotation of biological and structural properties of genomes and their elements. Genomes are organized on taxonomical basis, supporting comparative and evolutionary studies. Currently, DEPPDB contains all completely sequenced bacterial, viral, mitochondrial, and plastids genomes according to the NCBI RefSeq, and some model eukaryotic genomes. Data for promoters, regulation sites, binding proteins, etc., are incorporated from established DBs and literature. The database is complemented by analytical tools. User sequences calculations are available. Case studies discovered electrostatics complementing DNA bending in E.coli plasmid BNT2 promoter functioning, possibly affecting host-environment metabolic switch. Transcription factors binding sites gravitate to high potential regions, confirming the electrostatics universal importance in protein-DNA interactions beyond the classical promoter-RNA polymerase recognition and regulation. Other genome elements, such as terminators, also show electrostatic peculiarities. Most intriguing are gene starts, exhibiting taxonomic correlations. The necessity of the genome electrostatic properties studies is discussed.

Updated database on natural radioactivity in building materials in Europe.

PubMed

Trevisi, R; Leonardi, F; Risica, S; Nuccetelli, C

2018-07-01

The paper presents the latest collection of activity concentration data of natural radionuclides ( 226 Ra, 232 Th and 4  K) in building materials. This database contains about 24200 samples of both bulk materials and their constituents (bricks, concrete, cement, aggregates) and superficial materials used in most European Union Member States and some European countries. This collection also includes radiological information about some NORM residues and by-products (by-product gypsum, metallurgical slags, fly and bottom ashes and red mud) which can be of radiological concern if recycled in building materials as secondary raw materials. Moreover, radon emanation and radon exhalation rate data are reported for bricks and concrete. Copyright © 2018 Elsevier Ltd. All rights reserved.

Advanced CO2 Removal Technology Development

NASA Technical Reports Server (NTRS)

Finn, John E.; Verma, Sunita; Forrest, Kindall; LeVan, M. Douglas

2001-01-01

The Advanced CO2 Removal Technical Task Agreement covers three active areas of research and development. These include a study of the economic viability of a hybrid membrane/adsorption CO2 removal system, sorbent materials development, and construction of a database of adsorption properties of important fixed gases on several adsorbent material that may be used in CO2 removal systems. The membrane/adsorption CO2 removal system was proposed as a possible way to reduce the energy consumption of the four-bed molecular sieve system now in use. Much of the energy used by the 4BMS is used to desorb water removed in the device s desiccant beds. These beds might be replaced by a desiccating membrane that moves the water from [he incoming stream directly into the outlet stream. The approach may allow the CO2 removal beds to operate at a lower temperature. A comparison between models of the 4BMS and hybrid systems is underway at Vanderbilt University. NASA Ames Research Center has been investigating a Ag-exchanged zeolites as a possible improvement over currently used Ca and Na zeolites for CO2 removal. Silver ions will complex with n:-bonds in hydrocarbons such as ethylene, giving remarkably improved selectivity for adsorption of those materials. Bonds with n: character are also present in carbon oxides. NASA Ames is also continuing to build a database for adsorption isotherms of CO2, N2, O2, CH4, and Ar on a variety of sorbents. This information is useful for analysis of existing hardware and design of new processes.

Quaternary geologic map of the Winnipeg 4 degrees x 6 degrees quadrangle, United States and Canada

USGS Publications Warehouse

Fullerton, D. S.; Ringrose, S.M.; Clayton, Lee; Schreiner, B.T.; Goebel, J.E.

2000-01-01

The Quaternary Geologic Map of the Winnipeg 4? ? 6? Quadrangle, United States and Canada, is a component of the U.S. Geological Survey Quaternary Geologic Atlas of the United States map series (Miscellaneous Investigations Series I-1420), an effort to produce 4? ? 6? Quaternary geologic maps, at 1:1 million scale, of the entire conterminous United States and adjacent Canada. The map and the accompanying text and supplemental illustrations provide a regional overview of the areal distributions and characteristics of surficial deposits and materials of Quaternary age (~1.8 Ma to present) in parts of North Dakota, Minnesota, Manitoba, and Saskatchewan. The map is not a map of soils as soils are recognized in agriculture. Rather, it is a map of soils as recognized in engineering geology, or of substrata or parent materials in which agricultural soils are formed. The map units are distinguished chiefly on the basis of (1)genesis (processes of origin) or environments of deposition: for example, sediments deposited primarily by glacial ice (glacial deposits or till), sediments deposited in lakes (lacustrine deposits), or sediments deposited by wind (eolian deposits); (2) age: for example, how long ago the deposits accumulated; (3) texture (grain size)of the deposits or materials; (4) composition (particle lithology) of the deposits or materials; (5) thickness; and (6) other physical, chemical, and engineering properties. Supplemental illustrations show (1) temporal correlation of the map units, (2) the areal relationships of late Wisconsin glacial ice lobes and sublobes, (3) temporal and spatial correlation of late Wisconsin glacial phases, readvance limits, and ice margin stillstands, (4) temporal and stratigraphic correlation of surface and subsurface glacial deposits in the Winnipeg quadrangle and in adjacent 4? ? 6? quadrangles, and (5) responsibility for state and province compilations. The database provides information related to geologic hazards (for example, materials that are characterized by expansive clay minerals; landslide deposits or landslide-prone deposits), natural resources (for example, sources of aggregate, peat, and clay; potential shallow sources of groundwater), and areas of environmental concern (for example, areas that are potentially suitable for specific ecosystem habitats; areas of potential soil and groundwater contamination). All of these aspects of the database relate directly to land use, management, and policy. The map, text, and accompanying illustrations provide a database of regional scope related to geologic history, climatic changes, the stratigraphic and chronologic frameworks of surface and subsurface deposits and materials of Quaternary age, and other problems and concerns.

100 Colleges Sign Up with Google to Speed Access to Library Resources

ERIC Educational Resources Information Center

Young, Jeffrey R.

2005-01-01

More than 100 colleges and universities have arranged to give people using the Google Scholar search engine on their campuses more-direct access to library materials. Google Scholar is a free tool that searches scholarly materials on the Web and in academic databases. The new arrangements essentially let Google know which online databases the…

Integrating Data Sources for Process Sustainability ...

EPA Pesticide Factsheets

To perform a chemical process sustainability assessment requires significant data about chemicals, process design specifications, and operating conditions. The required information includes the identity of the chemicals used, the quantities of the chemicals within the context of the sustainability assessment, physical properties of these chemicals, equipment inventory, as well as health, environmental, and safety properties of the chemicals. Much of this data are currently available to the process engineer either from the process design in the chemical process simulation software or online through chemical property and environmental, health, and safety databases. Examples of these databases include the U.S. Environmental Protection Agency’s (USEPA’s) Aggregated Computational Toxicology Resource (ACToR), National Institute for Occupational Safety and Health’s (NIOSH’s) Hazardous Substance Database (HSDB), and National Institute of Standards and Technology’s (NIST’s) Chemistry Webbook. This presentation will provide methods and procedures for extracting chemical identity and flow information from process design tools (such as chemical process simulators) and chemical property information from the online databases. The presentation will also demonstrate acquisition and compilation of the data for use in the EPA’s GREENSCOPE process sustainability analysis tool. This presentation discusses acquisition of data for use in rapid LCI development.

From Field to Laboratory: A New Database Approach for Linking Microbial Field Ecology with Laboratory Studies

NASA Technical Reports Server (NTRS)

Bebout, Leslie; Keller, R.; Miller, S.; Jahnke, L.; DeVincenzi, D. (Technical Monitor)

2002-01-01

The Ames Exobiology Culture Collection Database (AECC-DB) has been developed as a collaboration between microbial ecologists and information technology specialists. It allows for extensive web-based archiving of information regarding field samples to document microbial co-habitation of specific ecosystem micro-environments. Documentation and archiving continues as pure cultures are isolated, metabolic properties determined, and DNA extracted and sequenced. In this way metabolic properties and molecular sequences are clearly linked back to specific isolates and the location of those microbes in the ecosystem of origin. Use of this database system presents a significant advancement over traditional bookkeeping wherein there is generally little or no information regarding the environments from which microorganisms were isolated. Generally there is only a general ecosystem designation (i.e., hot-spring). However within each of these there are a myriad of microenvironments with very different properties and determining exactly where (which microenvironment) a given microbe comes from is critical in designing appropriate isolation media and interpreting physiological properties. We are currently using the database to aid in the isolation of a large number of cyanobacterial species and will present results by PI's and students demonstrating the utility of this new approach.

Artist Material BRDF Database for Computer Graphics Rendering

NASA Astrophysics Data System (ADS)

Ashbaugh, Justin C.

The primary goal of this thesis was to create a physical library of artist material samples. This collection provides necessary data for the development of a gonio-imaging system for use in museums to more accurately document their collections. A sample set was produced consisting of 25 panels and containing nearly 600 unique samples. Selected materials are representative of those commonly used by artists both past and present. These take into account the variability in visual appearance resulting from the materials and application techniques used. Five attributes of variability were identified including medium, color, substrate, application technique and overcoat. Combinations of these attributes were selected based on those commonly observed in museum collections and suggested by surveying experts in the field. For each sample material, image data is collected and used to measure an average bi-directional reflectance distribution function (BRDF). The results are available as a public-domain image and optical database of artist materials at art-si.org. Additionally, the database includes specifications for each sample along with other information useful for computer graphics rendering such as the rectified sample images and normal maps.

Development of educational image databases and e-books for medical physics training.

PubMed

Tabakov, S; Roberts, V C; Jonsson, B-A; Ljungberg, M; Lewis, C A; Wirestam, R; Strand, S-E; Lamm, I-L; Milano, F; Simmons, A; Deane, C; Goss, D; Aitken, V; Noel, A; Giraud, J-Y; Sherriff, S; Smith, P; Clarke, G; Almqvist, M; Jansson, T

2005-09-01

Medical physics education and training requires the use of extensive imaging material and specific explanations. These requirements provide an excellent background for application of e-Learning. The EU projects Consortia EMERALD and EMIT developed five volumes of such materials, now used in 65 countries. EMERALD developed e-Learning materials in three areas of medical physics (X-ray diagnostic radiology, nuclear medicine and radiotherapy). EMIT developed e-Learning materials in two further areas: ultrasound and magnetic resonance imaging. This paper describes the development of these e-Learning materials (consisting of e-books and educational image databases). The e-books include tasks helping studying of various equipment and methods. The text of these PDF e-books is hyperlinked with respective images. The e-books are used through the readers' own Internet browser. Each Image Database (IDB) includes a browser, which displays hundreds of images of equipment, block diagrams and graphs, image quality examples, artefacts, etc. Both the e-books and IDB are engraved on five separate CD-ROMs. Demo of these materials can be taken from www.emerald2.net.

Human health risk assessment database, "the NHSRC toxicity value database": supporting the risk assessment process at US EPA's National Homeland Security Research Center.

PubMed

Moudgal, Chandrika J; Garrahan, Kevin; Brady-Roberts, Eletha; Gavrelis, Naida; Arbogast, Michelle; Dun, Sarah

2008-11-15

The toxicity value database of the United States Environmental Protection Agency's (EPA) National Homeland Security Research Center has been in development since 2004. The toxicity value database includes a compilation of agent property, toxicity, dose-response, and health effects data for 96 agents: 84 chemical and radiological agents and 12 biotoxins. The database is populated with multiple toxicity benchmark values and agent property information from secondary sources, with web links to the secondary sources, where available. A selected set of primary literature citations and associated dose-response data are also included. The toxicity value database offers a powerful means to quickly and efficiently gather pertinent toxicity and dose-response data for a number of agents that are of concern to the nation's security. This database, in conjunction with other tools, will play an important role in understanding human health risks, and will provide a means for risk assessors and managers to make quick and informed decisions on the potential health risks and determine appropriate responses (e.g., cleanup) to agent release. A final, stand alone MS ACESSS working version of the toxicity value database was completed in November, 2007.

Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers.

PubMed

Monge, Aurélien; Arrault, Alban; Marot, Christophe; Morin-Allory, Luc

2006-08-01

The data for 3.8 million compounds from structural databases of 32 providers were gathered and stored in a single chemical database. Duplicates are removed using the IUPAC International Chemical Identifier. After this, 2.6 million compounds remain. Each database and the final one were studied in term of uniqueness, diversity, frameworks, 'drug-like' and 'lead-like' properties. This study also shows that there are more than 87 000 frameworks in the database. It contains 2.1 million 'drug-like' molecules among which, more than one million are 'lead-like'. This study has been carried out using 'ScreeningAssistant', a software dedicated to chemical databases management and screening sets generation. Compounds are stored in a MySQL database and all the operations on this database are carried out by Java code. The druglikeness and leadlikeness are estimated with 'in-house' scores using functions to estimate convenience to properties; unicity using the InChI code and diversity using molecular frameworks and fingerprints. The software has been conceived in order to facilitate the update of the database. 'ScreeningAssistant' is freely available under the GPL license.

Recent progress in NASA Langley textile reinforced composites program

NASA Technical Reports Server (NTRS)

Dexter, H. Benson; Harris, Charles E.; Johnston, Norman J.

1992-01-01

The NASA LaRC is conducting and sponsoring research to explore the benefits of textile reinforced composites for civil transport aircraft primary structures. The objective of this program is to develop and demonstrate the potential of affordable textile reinforced composite materials to meet design properties and damage tolerance requirements of advanced aircraft structural concepts. In addition to in-house research, the program was recently expanded to include major participation by the aircraft industry and aerospace textile companies. The major program elements include development of textile preforms, processing science, mechanics of materials, experimental characterization of materials, and development and evaluation of textile reinforced composite structural elements and subcomponents. The NASA Langley in-house focus is as follows: development of a science-based understanding of resin transfer molding (RTM), development of powder-coated towpreg processes, analysis methodology, and development of a performance database on textile reinforced composites. The focus of the textile industry participation is on development of multidirectional, damage-tolerant preforms, and the aircraft industry participation is in the areas of design, fabrication and testing of textile reinforced composite structural elements and subcomponents. Textile processes such as 3D weaving, 2D and 3D braiding, and knitting/stitching are being compared with conventional laminated tape processes for improved damage tolerance. Through-the-thickness reinforcements offer significant damage tolerance improvements. However, these gains must be weighed against potential loss in in-plane properties such as strength and stiffness. Analytical trade studies are underway to establish design guidelines for the application of textile material forms to meet specific loading requirements. Fabrication and testing of large structural components are required to establish the full potential of textile reinforced composite materials.

The Chandra Source Catalog: Storage and Interfaces

NASA Astrophysics Data System (ADS)

van Stone, David; Harbo, Peter N.; Tibbetts, Michael S.; Zografou, Panagoula; Evans, Ian N.; Primini, Francis A.; Glotfelty, Kenny J.; Anderson, Craig S.; Bonaventura, Nina R.; Chen, Judy C.; Davis, John E.; Doe, Stephen M.; Evans, Janet D.; Fabbiano, Giuseppina; Galle, Elizabeth C.; Gibbs, Danny G., II; Grier, John D.; Hain, Roger; Hall, Diane M.; He, Xiang Qun (Helen); Houck, John C.; Karovska, Margarita; Kashyap, Vinay L.; Lauer, Jennifer; McCollough, Michael L.; McDowell, Jonathan C.; Miller, Joseph B.; Mitschang, Arik W.; Morgan, Douglas L.; Mossman, Amy E.; Nichols, Joy S.; Nowak, Michael A.; Plummer, David A.; Refsdal, Brian L.; Rots, Arnold H.; Siemiginowska, Aneta L.; Sundheim, Beth A.; Winkelman, Sherry L.

2009-09-01

The Chandra Source Catalog (CSC) is part of the Chandra Data Archive (CDA) at the Chandra X-ray Center. The catalog contains source properties and associated data objects such as images, spectra, and lightcurves. The source properties are stored in relational databases and the data objects are stored in files with their metadata stored in databases. The CDA supports different versions of the catalog: multiple fixed release versions and a live database version. There are several interfaces to the catalog: CSCview, a graphical interface for building and submitting queries and for retrieving data objects; a command-line interface for property and source searches using ADQL; and VO-compliant services discoverable though the VO registry. This poster describes the structure of the catalog and provides an overview of the interfaces.

Evaluation of Radiation Shielding Properties of the Polyvinyl Alcohol/Iron Oxide Polymer Composite

PubMed Central

Srinivasan, K.; Samuel, E. James Jabaseelan

2017-01-01

Context: Lead is the conventional shielding material against gamma/X-rays. It has some limitations such as toxic, high density, nonflexibility, and also bremsstrahlung production during electron interaction. It may affect the accuracy of radiotherapy outcome. Aims: To theoretically analyze the radiation shielding properties of flexible polyvinyl alcohol/iron oxide polymer composite with five different concentrations of magnetite over the energy range of 15 KeV–20 MeV. Subjects and Methods: Radiological properties were calculated based on the published literature. Attenuation coefficients of pure elements are generated with the help of WinXCOM database. Results: Effective atomic numbers and electron density are increased with the concentration of magnetite. On the other hand, the number of electrons per gram decreased. Mass attenuation coefficient (μ/ϼ) and linear attenuation coefficients (μ) are higher in the lower energy <100 KeV, and their values decreased when the energy increased. Computed tomography numbers (CT) show the significant variation between the concentrations in <60 KeV. Half-value layer and tenth-value layers are directly proportional to the energy and indirectly proportional to the concentration of magnetite. Transmission curve, relaxation length (ƛ), kinetic energy released in the matter, and elemental weight fraction are also calculated and the results are discussed. Conclusions: 0.5% of the magnetite gives superior shielding properties compared with other concentrations. It may be due to the presence of 0.3617% of Fe. Elemental weight fraction, atomic number, photon energy, and mass densities are the important parameters to understand the shielding behavior of any material. PMID:29296043

Data Mining for New Two- and One-Dimensional Weakly Bonded Solids and Lattice-Commensurate Heterostructures.

PubMed

Cheon, Gowoon; Duerloo, Karel-Alexander N; Sendek, Austin D; Porter, Chase; Chen, Yuan; Reed, Evan J

2017-03-08

Layered materials held together by weak interactions including van der Waals forces, such as graphite, have attracted interest for both technological applications and fundamental physics in their layered form and as an isolated single-layer. Only a few dozen single-layer van der Waals solids have been subject to considerable research focus, although there are likely to be many more that could have superior properties. To identify a broad spectrum of layered materials, we present a novel data mining algorithm that determines the dimensionality of weakly bonded subcomponents based on the atomic positions of bulk, three-dimensional crystal structures. By applying this algorithm to the Materials Project database of over 50,000 inorganic crystals, we identify 1173 two-dimensional layered materials and 487 materials that consist of weakly bonded one-dimensional molecular chains. This is an order of magnitude increase in the number of identified materials with most materials not known as two- or one-dimensional materials. Moreover, we discover 98 weakly bonded heterostructures of two-dimensional and one-dimensional subcomponents that are found within bulk materials, opening new possibilities for much-studied assembly of van der Waals heterostructures. Chemical families of materials, band gaps, and point groups for the materials identified in this work are presented. Point group and piezoelectricity in layered materials are also evaluated in single-layer forms. Three hundred and twenty-five of these materials are expected to have piezoelectric monolayers with a variety of forms of the piezoelectric tensor. This work significantly extends the scope of potential low-dimensional weakly bonded solids to be investigated.

16 CFR 1102.26 - Determination of materially inaccurate information.

Code of Federal Regulations, 2012 CFR

2012-01-01

... SAFETY ACT REGULATIONS PUBLICLY AVAILABLE CONSUMER PRODUCT SAFETY INFORMATION DATABASE Procedural... reviewing a report of harm or manufacturer comment, either before or after publication in the Database, may... manufacturer comment, be excluded from the Database or corrected by the Commission because it contains...

16 CFR 1102.26 - Determination of materially inaccurate information.

Code of Federal Regulations, 2014 CFR

2014-01-01

... SAFETY ACT REGULATIONS PUBLICLY AVAILABLE CONSUMER PRODUCT SAFETY INFORMATION DATABASE Procedural... reviewing a report of harm or manufacturer comment, either before or after publication in the Database, may... manufacturer comment, be excluded from the Database or corrected by the Commission because it contains...

A database of microwave and sub-millimetre ice particle single scattering properties

NASA Astrophysics Data System (ADS)

Ekelund, Robin; Eriksson, Patrick

2016-04-01

Ice crystal particles are today a large contributing factor as to why cold-type clouds such as cirrus remain a large uncertainty in global climate models and measurements. The reason for this is the complex and varied morphology in which ice particles appear, as compared to liquid droplets with an in general spheroidal shape, thus making the description of electromagnetic properties of ice particles more complicated. Single scattering properties of frozen hydrometers have traditionally been approximated by representing the particles as spheres using Mie theory. While such practices may work well in radio applications, where the size parameter of the particles is generally low, comparisons with measurements and simulations show that this assumption is insufficient when observing tropospheric cloud ice in the microwave or sub-millimetre regions. In order to assist the radiative transfer and remote sensing communities, a database of single scattering properties of semi-realistic particles is being produced. The data is being produced using DDA (Discrete Dipole Approximation) code which can treat arbitrarily shaped particles, and Tmatrix code for simpler shapes when found sufficiently accurate. The aim has been to mainly cover frequencies used by the upcoming ICI (Ice Cloud Imager) mission with launch in 2022. Examples of particles to be included are columns, plates, bullet rosettes, sector snowflakes and aggregates. The idea is to treat particles with good average optical properties with respect to the multitude of particles and aggregate types appearing in nature. The database will initially only cover macroscopically isotropic orientation, but will eventually also include horizontally aligned particles. Databases of DDA particles do already exist with varying accessibility. The goal of this database is to complement existing data. Regarding the distribution of the data, the plan is that the database shall be available in conjunction with the ARTS (Atmospheric Radiative Transfer Simulator) project.

An investigation of the moisture sorption and permeability properties of mill-fabricated oriented strandboard

NASA Astrophysics Data System (ADS)

Timusk, Paul Christopher

This thesis brings the disciplines of Building Science and Wood Science together in the study of the moisture-related properties of oriented strand board (OSB). Using controlled mill-manufactured panels specifically made for this project, this research reveals how the sorption and permeance properties of OSB are affected by several variables including production parameters and physical panel properties, moisture-history, and relative humidity exposure. Since OSB varies in composition through its thickness, this study isolated and tested various core and surface components. Permeability and sorption properties of individual OSB layers, intact panel sections, and panel sections that had undergone cyclic wetting and drying or relative humidity cycling prior to testing, were evaluated. After laboratory testing and analysis, a set of OSB permeance and sorption values were entered into the material database of a finite-element hygrothermal computer modeling program. Relying on this data, a series of hygrothermal wall simulations were carried out using standard wall sections exposed to various climate conditions found throughout North America. These simulations revealed that the results vary widely depending upon the permeance and sorption values used. Thus the common practice of characterizing a range of OSB products with various moisture histories by using a single permeance or sorption value may not be wise.

Call-Center Based Disease Management of Pediatric Asthmatics

DTIC Science & Technology

2006-04-01

This study will measure the impact of CBDMP, which promotes patient education and empowerment, on multiple factors to include; patient/caregiver quality...Prepare and reproduce patient education materials, and informed consent work sheets. Contract Oracle data base administrator to establish database for... Patient education materials and informed consent documents were reproduced. A web-based Oracle data-base was determined to be both prohibitively

Automating the training development process for mission flight operations

NASA Technical Reports Server (NTRS)

Scott, Carol J.

1994-01-01

Traditional methods of developing training do not effectively support the changing needs of operational users in a multimission environment. The Automated Training Development System (ATDS) provides advantages over conventional methods in quality, quantity, turnaround, database maintenance, and focus on individualized instruction. The Operations System Training Group at the JPL performed a six-month study to assess the potential of ATDS to automate curriculum development and to generate and maintain course materials. To begin the study, the group acquired readily available hardware and participated in a two-week training session to introduce the process. ATDS is a building activity that combines training's traditional information-gathering with a hierarchical method for interleaving the elements. The program can be described fairly simply. A comprehensive list of candidate tasks determines the content of the database; from that database, selected critical tasks dictate which competencies of skill and knowledge to include in course material for the target audience. The training developer adds pertinent planning information about each task to the database, then ATDS generates a tailored set of instructional material, based on the specific set of selection criteria. Course material consistently leads students to a prescribed level of competency.

An overview of the multi-database manipulation language MDSL

DOE Office of Scientific and Technical Information (OSTI.GOV)

Litwin, W.; Abdellatif, A.

With the increase in availability of databases, data needed by a user are frequently in separate autonomous databases. The logical properties of such data differ from the classical ones with a single database. In particular, they call for new functions for data manipulation. MDSL is a new data manipulation language providing such functions. Most of the MDSL functions are not available in other languages.

Systematic review of the psychometric properties of the questionnaire to evaluate the adherence to HIV therapy (CEAT-VIH).

PubMed

Remor, Eduardo

2013-01-01

Since the use of the questionnaire to evaluate adherence to HIV therapy (acronym CEAT-VIH) has increased in the last decade and translation into new language versions has been requested, summarizing information regarding the psychometric properties of the instrument may be useful for researchers and practitioners. The purpose of this work was to review the psychometric properties of the questionnaire CEAT-VIH, available from published studies and research reports. Medline, PsycINFO, Google Scholar and Google; the searched period was from 2001 to 2012. Forty-eight research materials referring to the questionnaire CEAT-VIH were initially gathered from academic databases and direct contact with researchers, before being analyzed. From the initial pool of material compiled (i.e., abstracts, technical reports or database files, dissertations or complete articles), only 20 comprised original data. The selected research material described a variety of information in terms of the psychometric properties of the questionnaire. The results from the primary studies were then summarized in tables for evaluation, description and comparison. Thirteen out of 16 studies reported a Cronbach's alpha value of above 0.70, supporting the internal consistency reliability of the CEAT-VIH questionnaire. No floor or ceiling effects were observed. Hypothesized relationships between the CEAT-VIH score and adherence-related variables (e.g., viral load, CD4+, compliance evaluated by physician or pharmacist, complexity of treatment and pill numbers) were observed, indicating validity evidence. Thus, variables expected to act as psychological risk factors for low adherence (e.g., stress, depression and anxiety) or protector factor (e.g., social support) to good adherence were observed. The scores of the questionnaire were also related to quality of life outcomes. Moreover, patients that received adherence intervention showed increased CEAT-VIH adherence scores. Sensitivity and specificity to correctly identify adherent patients with undetectable viral load were also observed for three studies. Although the data provided in the reports were heterogeneous, these were valuable and reported enough evidence of validity for the instrument. The selected studies represented 41.7 % of those initially identified, and only eight out of 20 documents were peer reviewed. The CEAT-VIH has been used for a variety of individuals of different ages, sex, socioeconomic and educational backgrounds. It has been a reliable and valid tool in measuring adherence to HIV treatment among different samples, and has been used with a wide range of study populations and countries (i.e., Brazil, Chile, Colombia, Mexico, Panama, Peru, Portugal, Puerto Rico, Romania and Spain). Encouraging data reported here may allow the recommendation of the CEAT-VIH as a valuable measure to use in HIV adherence research, especially in countries where the questionnaire already has available psychometric evidence.

MerCat: a versatile k-mer counter and diversity estimator for database-independent property analysis obtained from metagenomic and/or metatranscriptomic sequencing data

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, Richard A.; Panyala, Ajay R.; Glass, Kevin A.

MerCat is a parallel, highly scalable and modular property software package for robust analysis of features in next-generation sequencing data. MerCat inputs include assembled contigs and raw sequence reads from any platform resulting in feature abundance counts tables. MerCat allows for direct analysis of data properties without reference sequence database dependency commonly used by search tools such as BLAST and/or DIAMOND for compositional analysis of whole community shotgun sequencing (e.g. metagenomes and metatranscriptomes).

Are fluoride releasing dental materials clinically effective on caries control?

PubMed

Cury, Jaime Aparecido; de Oliveira, Branca Heloisa; dos Santos, Ana Paula Pires; Tenuta, Livia Maria Andaló

2016-03-01

(1) To describe caries lesions development and the role of fluoride in controlling disease progression; (2) to evaluate whether the use of fluoride-releasing pit and fissure sealants, bonding orthodontic agents and restorative materials, in comparison to a non-fluoride releasing material, reduces caries incidence in children or adults, and (3) to discuss how the anti-caries properties of these materials have been evaluated in vitro and in situ. The search was performed on the Cochrane Database of Systematic Reviews and on Medline via Pubmed. Caries is a biofilm-sugar dependent disease and as such it provokes progressive destruction of mineral structure of any dental surface - intact, sealed or restored - where biofilm remains accumulated and is regularly exposed to sugar. The mechanism of action of fluoride released from dental materials on caries is similar to that of fluoride found in dentifrices or other vehicles of fluoride delivery. Fluoride-releasing materials are unable to interfere with the formation of biofilm on dental surfaces adjacent to them or to inhibit acid production by dental biofilms. However, the fluoride released slows down the progression of caries lesions in tooth surfaces adjacent to dental materials. This effect has been clearly shown by in vitro and in situ studies but not in randomized clinical trials. The anti-caries effect of fluoride releasing materials is still not based on clinical evidence, and, in addition, it can be overwhelmed by fluoride delivered from dentifrices. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

MOSAIC: An organic geochemical and sedimentological database for marine surface sediments

NASA Astrophysics Data System (ADS)

Tavagna, Maria Luisa; Usman, Muhammed; De Avelar, Silvania; Eglinton, Timothy

2015-04-01

Modern ocean sediments serve as the interface between the biosphere and the geosphere, play a key role in biogeochemical cycles and provide a window on how contemporary processes are written into the sedimentary record. Research over past decades has resulted in a wealth of information on the content and composition of organic matter in marine sediments, with ever-more sophisticated techniques continuing to yield information of greater detail and as an accelerating pace. However, there has been no attempt to synthesize this wealth of information. We are establishing a new database that incorporates information relevant to local, regional and global-scale assessment of the content, source and fate of organic materials accumulating in contemporary marine sediments. In the MOSAIC (Modern Ocean Sediment Archive and Inventory of Carbon) database, particular emphasis is placed on molecular and isotopic information, coupled with relevant contextual information (e.g., sedimentological properties) relevant to elucidating factors that influence the efficiency and nature of organic matter burial. The main features of MOSAIC include: (i) Emphasis on continental margin sediments as major loci of carbon burial, and as the interface between terrestrial and oceanic realms; (ii) Bulk to molecular-level organic geochemical properties and parameters, including concentration and isotopic compositions; (iii) Inclusion of extensive contextual data regarding the depositional setting, in particular with respect to sedimentological and redox characteristics. The ultimate goal is to create an open-access instrument, available on the web, to be utilized for research and education by the international community who can both contribute to, and interrogate the database. The submission will be accomplished by means of a pre-configured table available on the MOSAIC webpage. The information on the filled tables will be checked and eventually imported, via the Structural Query Language (SQL), into MOSAIC. MOSAIC is programmed with PostgreSQL, an open-source database management system. In order to locate geographically the data, each element/datum is associated to a latitude, longitude and depth, facilitating creation of a geospatial database which can be easily interfaced to a Geographic Information System (GIS). In order to make the database broadly accessible, a HTML-PHP language-based website will ultimately be created and linked to the database. Consulting the website will allow for both data visualization as well as export of data in txt format for utilization with common software solutions (e.g. ODV, Excel, Matlab, Python, Word, PPT, Illustrator…). In this very early stage, MOSAIC presently contains approximately 10000 analyses conducted on more than 1800 samples which were collected from over 1600 different geographical locations around the world. Through participation of the international research community, MOSAIC will rapidly develop into a rich archive and versatile tool for investigation of distribution and composition of organic matter accumulating in seafloor sediments. The present contribution will outline the structure of MOSAIC, provide examples of data output, and solicit feedback on desirable features to be included in the database and associated software tools.

Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials.

PubMed

Ashton, Michael; Paul, Joshua; Sinnott, Susan B; Hennig, Richard G

2017-03-10

The Materials Project crystal structure database has been searched for materials possessing layered motifs in their crystal structures using a topology-scaling algorithm. The algorithm identifies and measures the sizes of bonded atomic clusters in a structure's unit cell, and determines their scaling with cell size. The search yielded 826 stable layered materials that are considered as candidates for the formation of two-dimensional monolayers via exfoliation. Density-functional theory was used to calculate the exfoliation energy of each material and 680 monolayers emerge with exfoliation energies below those of already-existent two-dimensional materials. The crystal structures of these two-dimensional materials provide templates for future theoretical searches of stable two-dimensional materials. The optimized structures and other calculated data for all 826 monolayers are provided at our database (https://materialsweb.org).

Micromechanics-Based Structural Analysis (FEAMAC) and Multiscale Visualization within Abaqus/CAE Environment

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Bednarcyk, Brett A.; Hussain, Aquila; Katiyar, Vivek

2010-01-01

A unified framework is presented that enables coupled multiscale analysis of composite structures and associated graphical pre- and postprocessing within the Abaqus/CAE environment. The recently developed, free, Finite Element Analysis--Micromechanics Analysis Code (FEAMAC) software couples NASA's Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC) with Abaqus/Standard and Abaqus/Explicit to perform micromechanics based FEA such that the nonlinear composite material response at each integration point is modeled at each increment by MAC/GMC. The Graphical User Interfaces (FEAMAC-Pre and FEAMAC-Post), developed through collaboration between SIMULIA Erie and the NASA Glenn Research Center, enable users to employ a new FEAMAC module within Abaqus/CAE that provides access to the composite microscale. FEA IAC-Pre is used to define and store constituent material properties, set-up and store composite repeating unit cells, and assign composite materials as sections with all data being stored within the CAE database. Likewise FEAMAC-Post enables multiscale field quantity visualization (contour plots, X-Y plots), with point and click access to the microscale i.e., fiber and matrix fields).

Experimental Data Extraction and in Silico Prediction of the Estrogenic Activity of Renewable Replacements for Bisphenol A

PubMed Central

Hong, Huixiao; Harvey, Benjamin G.; Palmese, Giuseppe R.; Stanzione, Joseph F.; Ng, Hui Wen; Sakkiah, Sugunadevi; Tong, Weida; Sadler, Joshua M.

2016-01-01

Bisphenol A (BPA) is a ubiquitous compound used in polymer manufacturing for a wide array of applications; however, increasing evidence has shown that BPA causes significant endocrine disruption and this has raised public concerns over safety and exposure limits. The use of renewable materials as polymer feedstocks provides an opportunity to develop replacement compounds for BPA that are sustainable and exhibit unique properties due to their diverse structures. As new bio-based materials are developed and tested, it is important to consider the impacts of both monomers and polymers on human health. Molecular docking simulations using the Estrogenic Activity Database in conjunction with the decision forest were performed as part of a two-tier in silico model to predict the activity of 29 bio-based platform chemicals in the estrogen receptor-α (ERα). Fifteen of the candidates were predicted as ER binders and fifteen as non-binders. Gaining insight into the estrogenic activity of the bio-based BPA replacements aids in the sustainable development of new polymeric materials. PMID:27420082

The design and fabrication of two portal vein flow phantoms by different methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yunker, Bryan E., E-mail: bryan.yunker@ucdenver.edu; Lanning, Craig J.; Shandas, Robin

2014-02-15

Purpose: This study outlines the design and fabrication techniques for two portal vein flow phantoms. Methods: A materials study was performed as a precursor to this phantom fabrication effort and the desired material properties are restated for continuity. A three-dimensional portal vein pattern was created from the Visual Human database. The portal vein pattern was used to fabricate two flow phantoms by different methods with identical interior surface geometry using computer aided design software tools and rapid prototyping techniques. One portal flow phantom was fabricated within a solid block of clear silicone for use on a table with Ultrasound ormore » within medical imaging systems such as MRI, CT, PET, or SPECT. The other portal flow phantom was fabricated as a thin walled tubular latex structure for use in water tanks with Ultrasound imaging. Both phantoms were evaluated for usability and durability. Results: Both phantoms were fabricated successfully and passed durability criteria for flow testing in the next project phase. Conclusions: The fabrication methods and materials employed for the study yielded durable portal vein phantoms.« less

16 CFR § 1102.26 - Determination of materially inaccurate information.

Code of Federal Regulations, 2013 CFR

2013-01-01

... PRODUCT SAFETY ACT REGULATIONS PUBLICLY AVAILABLE CONSUMER PRODUCT SAFETY INFORMATION DATABASE Procedural... reviewing a report of harm or manufacturer comment, either before or after publication in the Database, may... manufacturer comment, be excluded from the Database or corrected by the Commission because it contains...

Applications of Precipitation Feature Databases from GPM core and constellation Satellites

NASA Astrophysics Data System (ADS)

Liu, C.

2017-12-01

Using the observations from Global Precipitation Mission (GPM) core and constellation satellites, global precipitation was quantitatively described from the perspective of precipitation systems and their properties. This presentation will introduce the development of precipitation feature databases, and several scientific questions that have been tackled using this database, including the topics of global snow precipitation, extreme intensive convection, hail storms, extreme precipitation, and microphysical properties derived with dual frequency radars at the top of convective cores. As more and more observations of constellation satellites become available, it is anticipated that the precipitation feature approach will help to address a large variety of scientific questions in the future. For anyone who is interested, all the current precipitation feature databases are freely open to public at: http://atmos.tamucc.edu/trmm/.

Tasimelteon (Hetlioz™): A New Melatonin Receptor Agonist for the Treatment of Non-24-Hour Sleep-Wake Disorder.

PubMed

Bonacci, Janene M; Venci, Jineane V; Gandhi, Mona A

2015-10-01

In January 2014, the US Food and Drug Administration approved tasimelteon (Hetlioz™), a melatonin-receptor agonist for the treatment of non-24-hour sleep-wake disorder. This article provides an overview of the mechanism of action, pharmacokinetic properties, as well as the clinical efficacy, safety, and tolerability of tasimelteon. Relevant information was identified through a comprehensive literature search of several databases using the key words tasimelteon, Non-24-hour Sleep-Wake disorder, Non-24, and melatonin. Further information was obtained from the tasimelteon package insert, fda.gov, clinicaltrials.gov, briefing materials provided by Vanda Pharmaceuticals, and posters from scientific meetings. © The Author(s) 2014.

Berkeley Lab - Materials Sciences Division

Science.gov Websites

Postdoc Forum Research Highlights Awards Publications Database Events Calendar Newsletter Archive People Database Events Calendar Newsletter Archive Send us your research highlights. Reserch Highlight Template

Relativistic quantum private database queries

NASA Astrophysics Data System (ADS)

Sun, Si-Jia; Yang, Yu-Guang; Zhang, Ming-Ou

2015-04-01

Recently, Jakobi et al. (Phys Rev A 83, 022301, 2011) suggested the first practical private database query protocol (J-protocol) based on the Scarani et al. (Phys Rev Lett 92, 057901, 2004) quantum key distribution protocol. Unfortunately, the J-protocol is just a cheat-sensitive private database query protocol. In this paper, we present an idealized relativistic quantum private database query protocol based on Minkowski causality and the properties of quantum information. Also, we prove that the protocol is secure in terms of the user security and the database security.

SenseLab

PubMed Central

Crasto, Chiquito J.; Marenco, Luis N.; Liu, Nian; Morse, Thomas M.; Cheung, Kei-Hoi; Lai, Peter C.; Bahl, Gautam; Masiar, Peter; Lam, Hugo Y.K.; Lim, Ernest; Chen, Huajin; Nadkarni, Prakash; Migliore, Michele; Miller, Perry L.; Shepherd, Gordon M.

2009-01-01

This article presents the latest developments in neuroscience information dissemination through the SenseLab suite of databases: NeuronDB, CellPropDB, ORDB, OdorDB, OdorMapDB, ModelDB and BrainPharm. These databases include information related to: (i) neuronal membrane properties and neuronal models, and (ii) genetics, genomics, proteomics and imaging studies of the olfactory system. We describe here: the new features for each database, the evolution of SenseLab’s unifying database architecture and instances of SenseLab database interoperation with other neuroscience online resources. PMID:17510162

Exploration of options for publishing databases and supplemental material in society journals

USDA-ARS?s Scientific Manuscript database

As scientific information becomes increasingly more abundant, there is increasing interest among members of our societies to share databases. These databases have great value, for example, in providing long-term perspectives of various scientific problems and for use by modelers to extend the inform...

75 FR 49869 - Changes to Standard Numbering System, Vessel Identification System, and Boating Accident Report...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-16

... Boating Accident Report Database AGENCY: Coast Guard, DHS. ACTION: Reopening of public comment period... Boating Accident Report Database. DATES: Comments and related material must either be submitted to our... Database that, collectively, are intended to improve recreational boating safety efforts, enhance law...

16 CFR 1102.26 - Determination of materially inaccurate information.

Code of Federal Regulations, 2011 CFR

2011-01-01

... SAFETY ACT REGULATIONS PUBLICLY AVAILABLE CONSUMER PRODUCT SAFETY INFORMATION DATABASE (Eff. Jan. 10... publication in the Database, may request that the report of harm or manufacturer comment, or portions of such report of harm or manufacturer comment, be excluded from the Database or corrected by the Commission...

Subject Retrieval from Full-Text Databases in the Humanities

ERIC Educational Resources Information Center

East, John W.

2007-01-01

This paper examines the problems involved in subject retrieval from full-text databases of secondary materials in the humanities. Ten such databases were studied and their search functionality evaluated, focusing on factors such as Boolean operators, document surrogates, limiting by subject area, proximity operators, phrase searching, wildcards,…

An experimental test plan for the characterization of molten salt thermochemical properties in heat transport systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pattrick Calderoni

2010-09-01

Molten salts are considered within the Very High Temperature Reactor program as heat transfer media because of their intrinsically favorable thermo-physical properties at temperatures starting from 300 C and extending up to 1200 C. In this context two main applications of molten salt are considered, both involving fluoride-based materials: as primary coolants for a heterogeneous fuel reactor core and as secondary heat transport medium to a helium power cycle for electricity generation or other processing plants, such as hydrogen production. The reference design concept here considered is the Advanced High Temperature Reactor (AHTR), which is a large passively safe reactormore » that uses solid graphite-matrix coated-particle fuel (similar to that used in gas-cooled reactors) and a molten salt primary and secondary coolant with peak temperatures between 700 and 1000 C, depending upon the application. However, the considerations included in this report apply to any high temperature system employing fluoride salts as heat transfer fluid, including intermediate heat exchangers for gas-cooled reactor concepts and homogenous molten salt concepts, and extending also to fast reactors, accelerator-driven systems and fusion energy systems. The purpose of this report is to identify the technical issues related to the thermo-physical and thermo-chemical properties of the molten salts that would require experimental characterization in order to proceed with a credible design of heat transfer systems and their subsequent safety evaluation and licensing. In particular, the report outlines an experimental R&D test plan that would have to be incorporated as part of the design and operation of an engineering scaled facility aimed at validating molten salt heat transfer components, such as Intermediate Heat Exchangers. This report builds on a previous review of thermo-physical properties and thermo-chemical characteristics of candidate molten salt coolants that was generated as part of the same project [1]. However, this work focuses on two materials: the LiF-BeF2 eutectic (67 and 33 mol%, respectively, also known as flibe) as primary coolant and the LiF-NaF-KF eutectic (46.5, 11.5, and 52 mol%, respectively, also known as flinak) as secondary heat transport fluid. At first common issues are identified, involving the preparation and purification of the materials as well as the development of suitable diagnostics. Than issues specific to each material and its application are considered, with focus on the compatibility with structural materials and the extension of the existing properties database.« less

Material Selection Guide Derived from Material - Chemical Compatibility Database: Feasibility Based on Database and Predictive Model Evaluation

DTIC Science & Technology

1992-09-01

PI) 297 S S S S 15 Polyamideimide (PAI) 297 S S S S 14 Polyamide 6:6 (PA 6:6) 297 S S S S 35 Perfluoroakloxyethylene ( PFA ) 297 S S S S 42 Phenol...Procedures for the Measurement of Vapor Sorption Followed by Desorption and Comparisons with Polymer Cohesion Parameter and Polymer Coil Expansion Values

A Genome-Wide Screen Indicates Correlation between Differentiation and Expression of Metabolism Related Genes

PubMed Central

Shende, Akhilesh; Singh, Anupama; Meena, Anil; Ghosal, Ritika; Ranganathan, Madhav; Bandyopadhyay, Amitabha

2013-01-01

Differentiated tissues may be considered as materials with distinct properties. The differentiation program of a given tissue ensures that it acquires material properties commensurate with its function. It may be hypothesized that some of these properties are acquired through production of tissue-specific metabolites synthesized by metabolic enzymes. To establish correlation between metabolism and organogenesis we have carried out a genome-wide expression study of metabolism related genes by RNA in-situ hybridization. 23% of the metabolism related genes studied are expressed in a tissue-restricted but not tissue-exclusive manner. We have conducted the screen on whole mount chicken (Gallus gallus) embryos from four distinct developmental stages to correlate dynamic changes in expression patterns of metabolic enzymes with spatio-temporally unique developmental events. Our data strongly suggests that unique combinations of metabolism related genes, and not specific metabolic pathways, are upregulated during differentiation. Further, expression of metabolism related genes in well established signaling centers that regulate different aspects of morphogenesis indicates developmental roles of some of the metabolism related genes. The database of tissue-restricted expression patterns of metabolism related genes, generated in this study, should serve as a resource for systematic identification of these genes with tissue-specific functions during development. Finally, comprehensive understanding of differentiation is not possible unless the downstream genes of a differentiation cascade are identified. We propose, metabolic enzymes constitute a significant portion of these downstream target genes. Thus our study should help elucidate different aspects of tissue differentiation. PMID:23717462

Pedotransfer functions for isoproturon sorption on soils and vadose zone materials.

PubMed

Moeys, Julien; Bergheaud, Valérie; Coquet, Yves

2011-10-01

Sorption coefficients (the linear K(D) or the non-linear K(F) and N(F)) are critical parameters in models of pesticide transport to groundwater or surface water. In this work, a dataset of isoproturon sorption coefficients and corresponding soil properties (264 K(D) and 55 K(F)) was compiled, and pedotransfer functions were built for predicting isoproturon sorption in soils and vadose zone materials. These were benchmarked against various other prediction methods. The results show that the organic carbon content (OC) and pH are the two main soil properties influencing isoproturon K(D) . The pedotransfer function is K(D) = 1.7822 + 0.0162 OC(1.5) - 0.1958 pH (K(D) in L kg(-1) and OC in g kg(-1)). For low-OC soils (OC < 6.15 g kg(-1)), clay and pH are most influential. The pedotransfer function is then K(D) = 0.9980 + 0.0002 clay - 0.0990 pH (clay in g kg(-1)). Benchmarking K(D) estimations showed that functions calibrated on more specific subsets of the data perform better on these subsets than functions calibrated on larger subsets. Predicting isoproturon sorption in soils in unsampled locations should rely, whenever possible, and by order of preference, on (a) site- or soil-specific pedotransfer functions, (b) pedotransfer functions calibrated on a large dataset, (c) K(OC) values calculated on a large dataset or (d) K(OC) values taken from existing pesticide properties databases. Copyright © 2011 Society of Chemical Industry.

A genome-wide screen indicates correlation between differentiation and expression of metabolism related genes.

PubMed

Roy, Priti; Kumar, Brijesh; Shende, Akhilesh; Singh, Anupama; Meena, Anil; Ghosal, Ritika; Ranganathan, Madhav; Bandyopadhyay, Amitabha

2013-01-01

Differentiated tissues may be considered as materials with distinct properties. The differentiation program of a given tissue ensures that it acquires material properties commensurate with its function. It may be hypothesized that some of these properties are acquired through production of tissue-specific metabolites synthesized by metabolic enzymes. To establish correlation between metabolism and organogenesis we have carried out a genome-wide expression study of metabolism related genes by RNA in-situ hybridization. 23% of the metabolism related genes studied are expressed in a tissue-restricted but not tissue-exclusive manner. We have conducted the screen on whole mount chicken (Gallus gallus) embryos from four distinct developmental stages to correlate dynamic changes in expression patterns of metabolic enzymes with spatio-temporally unique developmental events. Our data strongly suggests that unique combinations of metabolism related genes, and not specific metabolic pathways, are upregulated during differentiation. Further, expression of metabolism related genes in well established signaling centers that regulate different aspects of morphogenesis indicates developmental roles of some of the metabolism related genes. The database of tissue-restricted expression patterns of metabolism related genes, generated in this study, should serve as a resource for systematic identification of these genes with tissue-specific functions during development. Finally, comprehensive understanding of differentiation is not possible unless the downstream genes of a differentiation cascade are identified. We propose, metabolic enzymes constitute a significant portion of these downstream target genes. Thus our study should help elucidate different aspects of tissue differentiation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Langan, Roisin T.; Archibald, Richard K.; Lamberti, Vincent

We have applied a new imputation-based method for analyzing incomplete data, called Monte Carlo Bayesian Database Generation (MCBDG), to the Spent Fuel Isotopic Composition (SFCOMPO) database. About 60% of the entries are absent for SFCOMPO. The method estimates missing values of a property from a probability distribution created from the existing data for the property, and then generates multiple instances of the completed database for training a machine learning algorithm. Uncertainty in the data is represented by an empirical or an assumed error distribution. The method makes few assumptions about the underlying data, and compares favorably against results obtained bymore » replacing missing information with constant values.« less

Ionic Liquids Database- (ILThermo)

National Institute of Standards and Technology Data Gateway

SRD 147 NIST Ionic Liquids Database- (ILThermo) (Web, free access)   IUPAC Ionic Liquids Database, ILThermo, is a free web research tool that allows users worldwide to access an up-to-date data collection from the publications on experimental investigations of thermodynamic, and transport properties of ionic liquids as well as binary and ternary mixtures containing ionic liquids.

Type material in the NCBI Taxonomy Database

PubMed Central

Federhen, Scott

2015-01-01

Type material is the taxonomic device that ties formal names to the physical specimens that serve as exemplars for the species. For the prokaryotes these are strains submitted to the culture collections; for the eukaryotes they are specimens submitted to museums or herbaria. The NCBI Taxonomy Database (http://www.ncbi.nlm.nih.gov/taxonomy) now includes annotation of type material that we use to flag sequences from type in GenBank and in Genomes. This has important implications for many NCBI resources, some of which are outlined below. PMID:25398905

Optical Properties of Multi-Layered Insulation

NASA Technical Reports Server (NTRS)

Rodriguez, Heather M.; Abercromby, Kira J.; Barker, Edwin

2007-01-01

Multi-layer insulation, MLI, is a material used on rocket bodies and satellites mainly for thermal insulation. MLI can be comprised of a variety of materials, layer numbers, and dimensions based on its purpose. A common composition of MLI consists of outer facing copper-colored Kapton with an aluminized backing for the top and bottom layers and the middle consisting of alternating layers of DARCON or Nomex netting with aluminized Mylar. If this material became separated from the spacecraft or rocket body its orbit would vary greatly in eccentricity due to its high area to mass (A/m) and susceptibility to solar radiation pressure perturbations. Recently a debris population was found with high A/m, which could be MLI. Laboratory photometric measurements of one intact piece and three different layers of MLI is presented in an effort to predict the characteristics of a MLI light curve and aid in identifying the source of the new population. For this paper, the layers used will be consistent with the common MLI mentioned in the above paragraph. Using a robotic arm, the piece was rotated from 0-360 degrees in one degree increments along the object s longest axis. Laboratory photometric data was recorded with a CCD camera using various filters (Johnson B, Johnson V and Bessell R). The measurements were taken at an 18 degree (light-object-camera) phase angle. As expected, the MLI pieces showed characteristics similar to a bimodal magnitude plot of a flat plate, but with more photometric features, dependant upon the layer of MLI. Time exposures varied from piece to piece such that the amount of pixels saturated would be minimal. In addition to photometric laboratory measurements, laboratory spectral measurements are shown for the same MLI samples. Spectral data will be combined to match the wavelength region of photometric data so a measure of truth can be established for the photometric measurements. Spectral data shows a strong absorption feature near 4800 angstroms, which is due to the copper color of Kapton. If the debris is MLI and the outer layer of copper coloring of Kapton is present, evidence would be seen spectrally by the specific absorption feature as well as using R-B (red-blue) light curves. Using laboratory photometric measurements and the results from spectral laboratory measurements, an optical property database is provided for an object with a high A/m. The benefits of this database for remote optical measurements of orbital debris are shown by illustrating the optical properties expected for a high A/m object, specifically common satellite and rocket body MLI.

A Parametric Sizing Model for Molten Regolith Electrolysis Reactors to Produce Oxygen from Lunar Regolith

NASA Technical Reports Server (NTRS)

Schreiner, Samuel S.; Dominguez, Jesus A.; Sibille, Laurent; Hoffman, Jeffrey A.

2015-01-01

We present a parametric sizing model for a Molten Electrolysis Reactor that produces oxygen and molten metals from lunar regolith. The model has a foundation of regolith material properties validated using data from Apollo samples and simulants. A multiphysics simulation of an MRE reactor is developed and leveraged to generate a vast database of reactor performance and design trends. A novel design methodology is created which utilizes this database to parametrically design an MRE reactor that 1) can sustain the required mass of molten regolith, current, and operating temperature to meet the desired oxygen production level, 2) can operate for long durations via joule heated, cold wall operation in which molten regolith does not touch the reactor side walls, 3) can support a range of electrode separations to enable operational flexibility. Mass, power, and performance estimates for an MRE reactor are presented for a range of oxygen production levels. The effects of several design variables are explored, including operating temperature, regolith type/composition, batch time, and the degree of operational flexibility.

Direct metal laser sintering titanium dental implants: a review of the current literature.

PubMed

Mangano, F; Chambrone, L; van Noort, R; Miller, C; Hatton, P; Mangano, C

2014-01-01

Statement of Problem. Direct metal laser sintering (DMLS) is a technology that allows fabrication of complex-shaped objects from powder-based materials, according to a three-dimensional (3D) computer model. With DMLS, it is possible to fabricate titanium dental implants with an inherently porous surface, a key property required of implantation devices. Objective. The aim of this review was to evaluate the evidence for the reliability of DMLS titanium dental implants and their clinical and histologic/histomorphometric outcomes, as well as their mechanical properties. Materials and Methods. Electronic database searches were performed. Inclusion criteria were clinical and radiographic studies, histologic/histomorphometric studies in humans and animals, mechanical evaluations, and in vitro cell culture studies on DMLS titanium implants. Meta-analysis could be performed only for randomized controlled trials (RCTs); to evaluate the methodological quality of observational human studies, the Newcastle-Ottawa scale (NOS) was used. Results. Twenty-seven studies were included in this review. No RCTs were found, and meta-analysis could not be performed. The outcomes of observational human studies were assessed using the NOS: these studies showed medium methodological quality. Conclusions. Several studies have demonstrated the potential for the use of DMLS titanium implants. However, further studies that demonstrate the benefits of DMLS implants over conventional implants are needed.

Direct Metal Laser Sintering Titanium Dental Implants: A Review of the Current Literature

PubMed Central

Mangano, F.; Chambrone, L.; van Noort, R.; Miller, C.; Hatton, P.; Mangano, C.

2014-01-01

Statement of Problem. Direct metal laser sintering (DMLS) is a technology that allows fabrication of complex-shaped objects from powder-based materials, according to a three-dimensional (3D) computer model. With DMLS, it is possible to fabricate titanium dental implants with an inherently porous surface, a key property required of implantation devices. Objective. The aim of this review was to evaluate the evidence for the reliability of DMLS titanium dental implants and their clinical and histologic/histomorphometric outcomes, as well as their mechanical properties. Materials and Methods. Electronic database searches were performed. Inclusion criteria were clinical and radiographic studies, histologic/histomorphometric studies in humans and animals, mechanical evaluations, and in vitro cell culture studies on DMLS titanium implants. Meta-analysis could be performed only for randomized controlled trials (RCTs); to evaluate the methodological quality of observational human studies, the Newcastle-Ottawa scale (NOS) was used. Results. Twenty-seven studies were included in this review. No RCTs were found, and meta-analysis could not be performed. The outcomes of observational human studies were assessed using the NOS: these studies showed medium methodological quality. Conclusions. Several studies have demonstrated the potential for the use of DMLS titanium implants. However, further studies that demonstrate the benefits of DMLS implants over conventional implants are needed. PMID:25525434

Geological modelling of mineral deposits for prediction in mining

NASA Astrophysics Data System (ADS)

Sides, E. J.

Accurate prediction of the shape, location, size and properties of the solid rock materials to be extracted during mining is essential for reliable technical and financial planning. This is achieved through geological modelling of the three-dimensional (3D) shape and properties of the materials present in mineral deposits, and the presentation of results in a form which is accessible to mine planning engineers. In recent years the application of interactive graphics software, offering 3D database handling, modelling and visualisation, has greatly enhanced the options available for predicting the subsurface limits and characteristics of mineral deposits. A review of conventional 3D geological interpretation methods, and the model struc- tures and modelling methods used in reserve estimation and mine planning software packages, illustrates the importance of such approaches in the modern mining industry. Despite the widespread introduction and acceptance of computer hardware and software in mining applications, in recent years, there has been little fundamental change in the way in which geology is used in orebody modelling for predictive purposes. Selected areas of current research, aimed at tackling issues such as the use of orientation data, quantification of morphological differences, incorporation of geological age relationships, multi-resolution models and the application of virtual reality hardware and software, are discussed.

Empirical Method to Estimate Hydrogen Embrittlement of Metals as a Function of Hydrogen Gas Pressure at Constant Temperature

NASA Technical Reports Server (NTRS)

Lee, Jonathan A.

2010-01-01

High pressure Hydrogen (H) gas has been known to have a deleterious effect on the mechanical properties of certain metals, particularly, the notched tensile strength, fracture toughness and ductility. The ratio of these properties in Hydrogen as compared to Helium or Air is called the Hydrogen Environment Embrittlement (HEE) Index, which is a useful method to classify the severity of H embrittlement and to aid in the material screening and selection for safety usage H gas environment. A comprehensive world-wide database compilation, in the past 50 years, has shown that the HEE index is mostly collected at two conveniently high H pressure points of 5 ksi and 10 ksi near room temperature. Since H embrittlement is directly related to pressure, the lack of HEE index at other pressure points has posed a technical problem for the designers to select appropriate materials at a specific H pressure for various applications in aerospace, alternate and renewable energy sectors for an emerging hydrogen economy. Based on the Power-Law mathematical relationship, an empirical method to accurately predict the HEE index, as a function of H pressure at constant temperature, is presented with a brief review on Sievert's law for gas-metal absorption.

Integrating RFID technique to design mobile handheld inventory management system

NASA Astrophysics Data System (ADS)

Huang, Yo-Ping; Yen, Wei; Chen, Shih-Chung

2008-04-01

An RFID-based mobile handheld inventory management system is proposed in this paper. Differing from the manual inventory management method, the proposed system works on the personal digital assistant (PDA) with an RFID reader. The system identifies electronic tags on the properties and checks the property information in the back-end database server through a ubiquitous wireless network. The system also provides a set of functions to manage the back-end inventory database and assigns different levels of access privilege according to various user categories. In the back-end database server, to prevent improper or illegal accesses, the server not only stores the inventory database and user privilege information, but also keeps track of the user activities in the server including the login and logout time and location, the records of database accessing, and every modification of the tables. Some experimental results are presented to verify the applicability of the integrated RFID-based mobile handheld inventory management system.

ITS-90 Thermocouple Database

National Institute of Standards and Technology Data Gateway

SRD 60 NIST ITS-90 Thermocouple Database (Web, free access)   Web version of Standard Reference Database 60 and NIST Monograph 175. The database gives temperature -- electromotive force (emf) reference functions and tables for the letter-designated thermocouple types B, E, J, K, N, R, S and T. These reference functions have been adopted as standards by the American Society for Testing and Materials (ASTM) and the International Electrotechnical Commission (IEC).

Quantum Mechanical Simulations of Complex Nanostructures for Photovoltaic Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Zhigang

A quantitative understanding of the electronic excitations in nanostructures, especially complex nanostructures, is crucial for making new-generation photovoltaic (PV) cells based on nanotechnology, which have high efficiency and low cost. Yet current quantum mechanical simulation methods are either computationally too expensive or not accurate and reliable enough, hindering the rational design of the nanoscale PV cells. The PI seeks to develop new methodologies to overcome the challenges in this very difficult and long-lasting problem, pushing the field forward so that electronic excitations can be accurately predicted for systems involving thousands of atoms. The primary objective of this project is tomore » develop new approaches for electronic excitation calculations that are more accurate than traditional density functional theory (DFT) and are applicable to systems larger than what current beyond-DFT methods can treat. In this proposal, the PI will first address the excited-state problem within the DFT framework to obtain quasiparticle energies from both Kohn-Sham (KS) eigenvalues and orbitals; and the electron-hole binding energy will be computed based on screened Coulomb interaction of corresponding DFT orbitals. The accuracy of these approaches will be examined against many-body methods of GW/BSE and quantum Monte Carlo (QMC). The PI will also work on improving the accuracy and efficiency of the GW/BSE and QMC methods in electronic excitation computations by using better KS orbitals obtained from orbital-dependent DFT as inputs. Then an extended QMC database of ground- and excited-state properties will be developed, and this will be spot checked and supplemented with data from GW/BSE calculations. The investigation will subsequently focus on the development of an improved exchange-correlation (XC) density functional beyond the current generalized gradient approximation (GGA) level of parameterization, with parameters fitted to the QMC database. This will allow the ground-state properties of focus systems to be more precisely predicted using DFT. These new developments will then be applied to investigate a chosen set of complex nanostructures that have great potential for opening new routes in designing materials with improved transport, electronic, and optical properties for PV and other optoelectronic usages: (1) Hybrid interfaces between materials with distinct electronic and optical properties, such as organic molecules (conjugated polymers, e.g. P3HT) and inorganic semiconducting materials (Si and ZnO). Complicated interface structures, including interface bonding configurations, compositional and geometrical blending patterns, interfacial defects, and various sizes and shapes of inorganic nanomaterials, will be considered for the purpose of understanding the working mechanisms of present organic/nano PV systems and designing optimum interface structures for fast charge separation and injection. (2) Complex-structured semiconducting nanomaterials that could induce charge separation without pn- or hetero-junctions. The new methodology will allow the PI to investigate the performance of realistic semiconducting nanomaterials of internal (impurities, defects, etc.) and external (uneven surface, mechanical twisting and bending, surface chemistry, etc.) complexities on optical absorption and charge transport against charge trapping and recombination. Of particular interest is whether such structural complexity in a single material could even be beneficial for PV usage, for example, charge separation through morphology control. Successful completion of the proposed DFT methodology would have a far-reaching impact on our ability to study and exploit the nature of electronic excitations in complex materials, advancing the design of next-generation electronic and optoelectronic devices in all facets of renewable energy conversion and storage, including photovoltaics, thermoelectricity, photochemistry, etc.« less

Manufacturing process and material selection in concurrent collaborative design of MEMS devices

NASA Astrophysics Data System (ADS)

Zha, Xuan F.; Du, H.

2003-09-01

In this paper we present knowledge of an intensive approach and system for selecting suitable manufacturing processes and materials for microelectromechanical systems (MEMS) devices in concurrent collaborative design environment. In the paper, fundamental issues on MEMS manufacturing process and material selection such as concurrent design framework, manufacturing process and material hierarchies, and selection strategy are first addressed. Then, a fuzzy decision support scheme for a multi-criteria decision-making problem is proposed for estimating, ranking and selecting possible manufacturing processes, materials and their combinations. A Web-based prototype advisory system for the MEMS manufacturing process and material selection, WebMEMS-MASS, is developed based on the client-knowledge server architecture and framework to help the designer find good processes and materials for MEMS devices. The system, as one of the important parts of an advanced simulation and modeling tool for MEMS design, is a concept level process and material selection tool, which can be used as a standalone application or a Java applet via the Web. The running sessions of the system are inter-linked with webpages of tutorials and reference pages to explain the facets, fabrication processes and material choices, and calculations and reasoning in selection are performed using process capability and material property data from a remote Web-based database and interactive knowledge base that can be maintained and updated via the Internet. The use of the developed system including operation scenario, use support, and integration with an MEMS collaborative design system is presented. Finally, an illustration example is provided.

Facilitating Collaboration, Knowledge Construction and Communication with Web-Enabled Databases.

ERIC Educational Resources Information Center

McNeil, Sara G.; Robin, Bernard R.

This paper presents an overview of World Wide Web-enabled databases that dynamically generate Web materials and focuses on the use of this technology to support collaboration, knowledge construction, and communication. Database applications have been used in classrooms to support learning activities for over a decade, but, although business and…

Product Descriptions: Database Software for Science. A MicroSIFT Quarterly Report.

ERIC Educational Resources Information Center

Batey, Anne; And Others

Specific programs and software resources are described in this report on database software for science instruction. Materials are reviewed in the categories of: (1) database management (reviewing AppleWorks, Bank Street School Filer, FileVision, Friendly Filer, MECC DataQuest: The Composer, Scholastic PFS:File, PFS:Report); (2) data files…

TRANSFORMATION OF DEVELOPMENTAL NEUROTOXICITY DATA INTO STRUCTURE-SEARCHABLE TOXML DATABASE IN SUPPORT OF STRUCTURE-ACTIVITY RELATIONSHIP (SAR) WORKFLOW.

EPA Science Inventory

Early hazard identification of new chemicals is often difficult due to lack of data on the novel material for toxicity endpoints, including neurotoxicity. At present, there are no structure searchable neurotoxicity databases. A working group was formed to construct a database to...

High School Students, Libraries, and the Search Process. An Analysis of Student Materials and Facilities Usage Patterns in Delaware Following Introduction of Online Bibliographic Database Searching.

ERIC Educational Resources Information Center

Mancall, Jacqueline C.; Deskins, Dreama

This report assesses the impact of instruction in online bibliographic database searching on high school students' use of library materials and facilities in three Delaware secondary schools (one public, one parochial, and one private) during the spring of 1984. Most students involved in the analysis were given a brief explanation of online…

[Conceptual foundations of creation of branch database of technology and intellectual property rights owned by scientific institutions, organizations, higher medical educational institutions and enterprises of healthcare sphere of Ukraine].

PubMed

Horban', A Ie

2013-09-01

The question of implementation of the state policy in the field of technology transfer in the medical branch to implement the law of Ukraine of 02.10.2012 No 5407-VI "On Amendments to the law of Ukraine" "On state regulation of activity in the field of technology transfers", namely to ensure the formation of branch database on technology and intellectual property rights owned by scientific institutions, organizations, higher medical education institutions and enterprises of healthcare sphere of Ukraine and established by budget are considered. Analysis of international and domestic experience in the processing of information about intellectual property rights and systems implementation support transfer of new technologies are made. The main conceptual principles of creation of this branch database of technology transfer and branch technology transfer network are defined.

Analysis of plant gums and saccharide materials in paint samples: comparison of GC-MS analytical procedures and databases

PubMed Central

2012-01-01

Background Saccharide materials have been used for centuries as binding media, to paint, write and illuminate manuscripts and to apply metallic leaf decorations. Although the technical literature often reports on the use of plant gums as binders, actually several other saccharide materials can be encountered in paint samples, not only as major binders, but also as additives. In the literature, there are a variety of analytical procedures that utilize GC-MS to characterize saccharide materials in paint samples, however the chromatographic profiles are often extremely different and it is impossible to compare them and reliably identify the paint binder. Results This paper presents a comparison between two different analytical procedures based on GC-MS for the analysis of saccharide materials in works-of-art. The research presented here evaluates the influence of the analytical procedure used, and how it impacts the sugar profiles obtained from the analysis of paint samples that contain saccharide materials. The procedures have been developed, optimised and systematically used to characterise plant gums at the Getty Conservation Institute in Los Angeles, USA (GCI) and the Department of Chemistry and Industrial Chemistry of the University of Pisa, Italy (DCCI). The main steps of the analytical procedures and their optimisation are discussed. Conclusions The results presented highlight that the two methods give comparable sugar profiles, whether the samples analysed are simple raw materials, pigmented and unpigmented paint replicas, or paint samples collected from hundreds of centuries old polychrome art objects. A common database of sugar profiles of reference materials commonly found in paint samples was thus compiled. The database presents data also from those materials that only contain a minor saccharide fraction. This database highlights how many sources of saccharides can be found in a paint sample, representing an important step forward in the problem of identifying polysaccharide binders in paint samples. PMID:23050842

Analysis of plant gums and saccharide materials in paint samples: comparison of GC-MS analytical procedures and databases.

PubMed

Lluveras-Tenorio, Anna; Mazurek, Joy; Restivo, Annalaura; Colombini, Maria Perla; Bonaduce, Ilaria

2012-10-10

Saccharide materials have been used for centuries as binding media, to paint, write and illuminate manuscripts and to apply metallic leaf decorations. Although the technical literature often reports on the use of plant gums as binders, actually several other saccharide materials can be encountered in paint samples, not only as major binders, but also as additives. In the literature, there are a variety of analytical procedures that utilize GC-MS to characterize saccharide materials in paint samples, however the chromatographic profiles are often extremely different and it is impossible to compare them and reliably identify the paint binder. This paper presents a comparison between two different analytical procedures based on GC-MS for the analysis of saccharide materials in works-of-art. The research presented here evaluates the influence of the analytical procedure used, and how it impacts the sugar profiles obtained from the analysis of paint samples that contain saccharide materials. The procedures have been developed, optimised and systematically used to characterise plant gums at the Getty Conservation Institute in Los Angeles, USA (GCI) and the Department of Chemistry and Industrial Chemistry of the University of Pisa, Italy (DCCI). The main steps of the analytical procedures and their optimisation are discussed. The results presented highlight that the two methods give comparable sugar profiles, whether the samples analysed are simple raw materials, pigmented and unpigmented paint replicas, or paint samples collected from hundreds of centuries old polychrome art objects. A common database of sugar profiles of reference materials commonly found in paint samples was thus compiled. The database presents data also from those materials that only contain a minor saccharide fraction. This database highlights how many sources of saccharides can be found in a paint sample, representing an important step forward in the problem of identifying polysaccharide binders in paint samples.

International Data on Radiological Sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martha Finck; Margaret Goldberg

2010-07-01

ABSTRACT The mission of radiological dispersal device (RDD) nuclear forensics is to identify the provenance of nuclear and radiological materials used in RDDs and to aid law enforcement in tracking nuclear materials and routes. The application of databases to radiological forensics is to match RDD source material to a source model in the database, provide guidance regarding a possible second device, and aid the FBI by providing a short list of manufacturers and distributors, and ultimately to the last legal owner of the source. The Argonne/Idaho National Laboratory RDD attribution database is a powerful technical tool in radiological forensics. Themore » database (1267 unique vendors) includes all sealed sources and a device registered in the U.S., is complemented by data from the IAEA Catalogue, and is supported by rigorous in-lab characterization of selected sealed sources regarding physical form, radiochemical composition, and age-dating profiles. Close working relationships with global partners in the commercial sealed sources industry provide invaluable technical information and expertise in the development of signature profiles. These profiles are critical to the down-selection of potential candidates in either pre- or post- event RDD attribution. The down-selection process includes a match between an interdicted (or detonated) source and a model in the database linked to one or more manufacturers and distributors.« less

Distributed cyberinfrastructure tools for automated data processing of structural monitoring data

NASA Astrophysics Data System (ADS)

Zhang, Yilan; Kurata, Masahiro; Lynch, Jerome P.; van der Linden, Gwendolyn; Sederat, Hassan; Prakash, Atul

2012-04-01

The emergence of cost-effective sensing technologies has now enabled the use of dense arrays of sensors to monitor the behavior and condition of large-scale bridges. The continuous operation of dense networks of sensors presents a number of new challenges including how to manage such massive amounts of data that can be created by the system. This paper reports on the progress of the creation of cyberinfrastructure tools which hierarchically control networks of wireless sensors deployed in a long-span bridge. The internet-enabled cyberinfrastructure is centrally managed by a powerful database which controls the flow of data in the entire monitoring system architecture. A client-server model built upon the database provides both data-provider and system end-users with secured access to various levels of information of a bridge. In the system, information on bridge behavior (e.g., acceleration, strain, displacement) and environmental condition (e.g., wind speed, wind direction, temperature, humidity) are uploaded to the database from sensor networks installed in the bridge. Then, data interrogation services interface with the database via client APIs to autonomously process data. The current research effort focuses on an assessment of the scalability and long-term robustness of the proposed cyberinfrastructure framework that has been implemented along with a permanent wireless monitoring system on the New Carquinez (Alfred Zampa Memorial) Suspension Bridge in Vallejo, CA. Many data interrogation tools are under development using sensor data and bridge metadata (e.g., geometric details, material properties, etc.) Sample data interrogation clients including those for the detection of faulty sensors, automated modal parameter extraction.

Handprinted Forms and Characters

National Institute of Standards and Technology Data Gateway

NIST Handprinted Forms and Characters (Web, free access)   NIST Special Database 19 contains NIST's entire corpus of training materials for handprinted document and character recognition. It supersedes NIST Special Databases 3 and 7.

Materials Science News | Materials Science | NREL

Science.gov Websites

News Release: NREL Opens Large Database of Inorganic Thin-Film Materials An extensive experimental developing a rechargeable non-aqueous magnesium-metal battery. January 30, 2018 Dave Moore: Taking Roundabout

Mapping of hazard from rainfall-triggered landslides in developing countries: Examples from Honduras and Micronesia

USGS Publications Warehouse

Harp, E.L.; Reid, M.E.; McKenna, J.P.; Michael, J.A.

2009-01-01

Loss of life and property caused by landslides triggered by extreme rainfall events demonstrates the need for landslide-hazard assessment in developing countries where recovery from such events often exceeds the country's resources. Mapping landslide hazards in developing countries where the need for landslide-hazard mitigation is great but the resources are few is a challenging, but not intractable problem. The minimum requirements for constructing a physically based landslide-hazard map from a landslide-triggering storm, using the simple methods we discuss, are: (1) an accurate mapped landslide inventory, (2) a slope map derived from a digital elevation model (DEM) or topographic map, and (3) material strength properties of the slopes involved. Provided that the landslide distribution from a triggering event can be documented and mapped, it is often possible to glean enough topographic and geologic information from existing databases to produce a reliable map that depicts landslide hazards from an extreme event. Most areas of the world have enough topographic information to provide digital elevation models from which to construct slope maps. In the likely event that engineering properties of slope materials are not available, reasonable estimates can be made with detailed field examination by engineering geologists or geotechnical engineers. Resulting landslide hazard maps can be used as tools to guide relocation and redevelopment, or, more likely, temporary relocation efforts during severe storm events such as hurricanes/typhoons to minimize loss of life and property. We illustrate these methods in two case studies of lethal landslides in developing countries: Tegucigalpa, Honduras (during Hurricane Mitch in 1998) and the Chuuk Islands, Micronesia (during Typhoon Chata'an in 2002).

Anisotropy and non-homogeneity of an Allomyrina Dichotoma beetle hind wing membrane.

PubMed

Ha, N S; Jin, T L; Goo, N S; Park, H C

2011-12-01

Biomimetics is one of the most important paradigms as researchers seek to invent better engineering designs over human history. However, the observation of insect flight is a relatively recent work. Several researchers have tried to address the aerodynamic performance of flapping creatures and other natural properties of insects, although there are still many unsolved questions. In this study, we try to answer the questions related to the mechanical properties of a beetle's hind wing, which consists of a stiff vein structure and a flexible membrane. The membrane of a beetle's hind wing is small and flexible to the point that conventional methods cannot adequately quantify the material properties. The digital image correlation method, a non-contact displacement measurement method, is used along with a specially designed mini-tensile testing system. To reduce the end effects, we developed an experimental method that can deal with specimens with as high an aspect ratio as possible. Young's modulus varies over the area in the wing and ranges from 2.97 to 4.5 GPa in the chordwise direction and from 1.63 to 2.24 GPa in the spanwise direction. Furthermore, Poisson's ratio in the chordwise direction is 0.63-0.73 and approximately twice as large as that in the spanwise direction (0.33-0.39). From these results, we can conclude that the membrane of a beetle's hind wing is an anisotropic and non-homogeneous material. Our results will provide a better understanding of the flapping mechanism through the formulation of a fluid-structure interaction analysis or aero-elasticity analysis and meritorious data for biomaterial properties database as well as a creative design concept for a micro aerial flapper that mimics an insect.

Integrated Computational Materials Engineering Development of Advanced High Strength Steel for Lightweight Vehicles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hector, Jr., Louis G.; McCarty, Eric D.

The goal of the ICME 3GAHSS project was to successfully demonstrate the applicability of Integrated Computational Materials Engineering (ICME) for the development and deployment of third generation advanced high strength steels (3GAHSS) for immediate weight reduction in passenger vehicles. The ICME approach integrated results from well-established computational and experimental methodologies to develop a suite of material constitutive models (deformation and failure), manufacturing process and performance simulation modules, a properties database, as well as the computational environment linking them together for both performance prediction and material optimization. This is the Final Report for the ICME 3GAHSS project, which achieved the fol-lowingmore » objectives: 1) Developed a 3GAHSS ICME model, which includes atomistic, crystal plasticity, state variable and forming models. The 3GAHSS model was implemented in commercially available LS-DYNA and a user guide was developed to facilitate use of the model. 2) Developed and produced two 3GAHSS alloys using two different chemistries and manufacturing processes, for use in calibrating and validating the 3GAHSS ICME Model. 3) Optimized the design of an automotive subassembly by substituting 3GAHSS for AHSS yielding a design that met or exceeded all baseline performance requirements with a 30% mass savings. A technical cost model was also developed to estimate the cost per pound of weight saved when substituting 3GAHSS for AHSS. The project demonstrated the potential for 3GAHSS to achieve up to 30% weight savings in an automotive structure at a cost penalty of up to $0.32 to $1.26 per pound of weight saved. The 3GAHSS ICME Model enables the user to design 3GAHSS to desired mechanical properties in terms of strength and ductility.« less

Development of a new family of normalized modulus reduction and material damping curves

NASA Astrophysics Data System (ADS)

Darendeli, Mehmet Baris

2001-12-01

As part of various research projects [including the SRS (Savannah River Site) Project AA891070, EPRI (Electric Power Research Institute) Project 3302, and ROSRINE (Resolution of Site Response Issues from the Northridge Earthquake) Project], numerous geotechnical sites were drilled and sampled. Intact soil samples over a depth range of several hundred meters were recovered from 20 of these sites. These soil samples were tested in the laboratory at The University of Texas at Austin (UTA) to characterize the materials dynamically. The presence of a database accumulated from testing these intact specimens motivated a re-evaluation of empirical curves employed in the state of practice. The weaknesses of empirical curves reported in the literature were identified and the necessity of developing an improved set of empirical curves was recognized. This study focused on developing the empirical framework that can be used to generate normalized modulus reduction and material damping curves. This framework is composed of simple equations, which incorporate the key parameters that control nonlinear soil behavior. The data collected over the past decade at The University of Texas at Austin are statistically analyzed using First-order, Second-moment Bayesian Method (FSBM). The effects of various parameters (such as confining pressure and soil plasticity) on dynamic soil properties are evaluated and quantified within this framework. One of the most important aspects of this study is estimating not only the mean values of the empirical curves but also estimating the uncertainty associated with these values. This study provides the opportunity to handle uncertainty in the empirical estimates of dynamic soil properties within the probabilistic seismic hazard analysis framework. A refinement in site-specific probabilistic seismic hazard assessment is expected to materialize in the near future by incorporating the results of this study into state of practice.

A symmetry measure for damage detection with mode shapes

NASA Astrophysics Data System (ADS)

Chen, Justin G.; Büyüköztürk, Oral

2017-11-01

This paper introduces a feature for detecting damage or changes in structures, the continuous symmetry measure, which can quantify the amount of a particular rotational, mirror, or translational symmetry in a mode shape of a structure. Many structures in the built environment have geometries that are either symmetric or almost symmetric, however damage typically occurs in a local manner causing asymmetric changes in the structure's geometry or material properties, and alters its mode shapes. The continuous symmetry measure can quantify these changes in symmetry as a novel indicator of damage for data-based structural health monitoring approaches. This paper describes the concept as a basis for detecting changes in mode shapes and detecting structural damage. Application of the method is demonstrated in various structures with different symmetrical properties: a pipe cross-section with a finite element model and experimental study, the NASA 8-bay truss model, and the simulated IASC-ASCE structural health monitoring benchmark structure. The applicability and limitations of the feature in applying it to structures of varying geometries is discussed.

Characterization of materials formed by rice husk for construction

NASA Astrophysics Data System (ADS)

Portillo-Rodríguez, A. M.

2013-11-01

This review article delves into the use of agro-industrial wastes, which in construction field provides alternatives for environmental problems with the use of them. This fact enables development and lower costs for new options in the brick, cluster, mortar and concrete industry, what represents benefits for environment, housing and generally everything related to construction, looking for sustainability. For that reason a literature review is made to support the theme focusing on the use of rice husk in its natural, ground or ash state for manufacturing elements with clay masonry, precast and optimization of concrete and mortars. The technique used is based on scientific articles and researches found in reliable databases that were analyzed and integrated into a synthesized structure, which summarized the objectives, analysis processes, the physical and mechanical properties and finally the results. The conclusions are focused on potentiality of elements production in the construction development based on the high effectiveness like thermal insulation, low density and various benefits offered by high silica content pozzolanic properties, etc.

Thermal and Evolved Gas Analysis of "Nanophase" Carbonates: Implications for Thermal and Evolved Gas Analysis on Mars Missions

NASA Technical Reports Server (NTRS)

Lauer, Howard V., Jr.; Archer, P. D., Jr.; Sutter, B.; Niles, P. B.; Ming, Douglas W.

2012-01-01

Data collected by the Mars Phoenix Lander's Thermal and Evolved Gas Analyzer (TEGA) suggested the presence of calcium-rich carbonates as indicated by a high temperature CO2 release while a low temperature (approx.400-680 C) CO2 release suggested possible Mg- and/or Fe-carbonates [1,2]. Interpretations of the data collected by Mars remote instruments is done by comparing the mission data to a database on the thermal properties of well-characterized Martian analog materials collected under reduced and Earth ambient pressures [3,4]. We are proposing that "nano-phase" carbonates may also be contributing to the low temperature CO2 release. The objectives of this paper is to (1) characterize the thermal and evolved gas proper-ties of carbonates of varying particle size, (2) evaluate the CO2 releases from CO2 treated CaO samples and (3) examine the secondary CO2 release from reheated calcite of varying particle size.

Fabrication and characterisation of phantom material made of Tannin-added Rhizophora spp. particleboards for photon and electron beams

NASA Astrophysics Data System (ADS)

Yusof, M. F. Mohd; Hamid, P. N. K. Abd; Tajuddin, A. A.; Hashim, R.; Bauk, S.; Isa, N. Mohd; Isa, M. J. Md

2017-05-01

Particleboards made of Rhizophora spp. with addition of tannin adhesive were fabricated at target density of 1.0 g/cm3. The physical and mechanical properties of the particleboards including internal bond strength (IB) and modulus of rupture (MOR) were measured based on Japanese Industrial Standards (JIS A-5908). The characterisation of the particleboards including the effective atomic number, CT number and relative electron density were determined and compared to water. The mass attenuation coefficient of the particleboards were measured and compared to the calculated value of water using photon cross-section database (XCOM). The results showed that the physical and mechanical properties of the particleboards complied with Type 13 and 18 of JIS A-5908. The values of effective atomic number, CT number and relative electron density were also close to the value of water. The value of mass attenuation coefficients of the particleboards showed good agreement with water (XCOM) at low and high energy photon indicated by the χ2 values.

Physics Based Model for Cryogenic Chilldown and Loading. Part IV: Code Structure

NASA Technical Reports Server (NTRS)

Luchinsky, D. G.; Smelyanskiy, V. N.; Brown, B.

2014-01-01

This is the fourth report in a series of technical reports that describe separated two-phase flow model application to the cryogenic loading operation. In this report we present the structure of the code. The code consists of five major modules: (1) geometry module; (2) solver; (3) material properties; (4) correlations; and finally (5) stability control module. The two key modules - solver and correlations - are further divided into a number of submodules. Most of the physics and knowledge databases related to the properties of cryogenic two-phase flow are included into the cryogenic correlations module. The functional form of those correlations is not well established and is a subject of extensive research. Multiple parametric forms for various correlations are currently available. Some of them are included into correlations module as will be described in details in a separate technical report. Here we describe the overall structure of the code and focus on the details of the solver and stability control modules.

Virtual Interactive Musculoskeletal System (VIMS) in orthopaedic research, education and clinical patient care.

PubMed

Chao, Edmund Y S; Armiger, Robert S; Yoshida, Hiroaki; Lim, Jonathan; Haraguchi, Naoki

2007-03-08

The ability to combine physiology and engineering analyses with computer sciences has opened the door to the possibility of creating the "Virtual Human" reality. This paper presents a broad foundation for a full-featured biomechanical simulator for the human musculoskeletal system physiology. This simulation technology unites the expertise in biomechanical analysis and graphic modeling to investigate joint and connective tissue mechanics at the structural level and to visualize the results in both static and animated forms together with the model. Adaptable anatomical models including prosthetic implants and fracture fixation devices and a robust computational infrastructure for static, kinematic, kinetic, and stress analyses under varying boundary and loading conditions are incorporated on a common platform, the VIMS (Virtual Interactive Musculoskeletal System). Within this software system, a manageable database containing long bone dimensions, connective tissue material properties and a library of skeletal joint system functional activities and loading conditions are also available and they can easily be modified, updated and expanded. Application software is also available to allow end-users to perform biomechanical analyses interactively. Examples using these models and the computational algorithms in a virtual laboratory environment are used to demonstrate the utility of these unique database and simulation technology. This integrated system, model library and database will impact on orthopaedic education, basic research, device development and application, and clinical patient care related to musculoskeletal joint system reconstruction, trauma management, and rehabilitation.

Virtual interactive musculoskeletal system (VIMS) in orthopaedic research, education and clinical patient care

PubMed Central

Chao, Edmund YS; Armiger, Robert S; Yoshida, Hiroaki; Lim, Jonathan; Haraguchi, Naoki

2007-01-01

The ability to combine physiology and engineering analyses with computer sciences has opened the door to the possibility of creating the "Virtual Human" reality. This paper presents a broad foundation for a full-featured biomechanical simulator for the human musculoskeletal system physiology. This simulation technology unites the expertise in biomechanical analysis and graphic modeling to investigate joint and connective tissue mechanics at the structural level and to visualize the results in both static and animated forms together with the model. Adaptable anatomical models including prosthetic implants and fracture fixation devices and a robust computational infrastructure for static, kinematic, kinetic, and stress analyses under varying boundary and loading conditions are incorporated on a common platform, the VIMS (Virtual Interactive Musculoskeletal System). Within this software system, a manageable database containing long bone dimensions, connective tissue material properties and a library of skeletal joint system functional activities and loading conditions are also available and they can easily be modified, updated and expanded. Application software is also available to allow end-users to perform biomechanical analyses interactively. Examples using these models and the computational algorithms in a virtual laboratory environment are used to demonstrate the utility of these unique database and simulation technology. This integrated system, model library and database will impact on orthopaedic education, basic research, device development and application, and clinical patient care related to musculoskeletal joint system reconstruction, trauma management, and rehabilitation. PMID:17343764

In search of the emotional face: anger versus happiness superiority in visual search.

PubMed

Savage, Ruth A; Lipp, Ottmar V; Craig, Belinda M; Becker, Stefanie I; Horstmann, Gernot

2013-08-01

Previous research has provided inconsistent results regarding visual search for emotional faces, yielding evidence for either anger superiority (i.e., more efficient search for angry faces) or happiness superiority effects (i.e., more efficient search for happy faces), suggesting that these results do not reflect on emotional expression, but on emotion (un-)related low-level perceptual features. The present study investigated possible factors mediating anger/happiness superiority effects; specifically search strategy (fixed vs. variable target search; Experiment 1), stimulus choice (Nimstim database vs. Ekman & Friesen database; Experiments 1 and 2), and emotional intensity (Experiment 3 and 3a). Angry faces were found faster than happy faces regardless of search strategy using faces from the Nimstim database (Experiment 1). By contrast, a happiness superiority effect was evident in Experiment 2 when using faces from the Ekman and Friesen database. Experiment 3 employed angry, happy, and exuberant expressions (Nimstim database) and yielded anger and happiness superiority effects, respectively, highlighting the importance of the choice of stimulus materials. Ratings of the stimulus materials collected in Experiment 3a indicate that differences in perceived emotional intensity, pleasantness, or arousal do not account for differences in search efficiency. Across three studies, the current investigation indicates that prior reports of anger or happiness superiority effects in visual search are likely to reflect on low-level visual features associated with the stimulus materials used, rather than on emotion. PsycINFO Database Record (c) 2013 APA, all rights reserved.

Nuclear Forensics Analysis with Missing and Uncertain Data

DOE PAGES

Langan, Roisin T.; Archibald, Richard K.; Lamberti, Vincent

2015-10-05

We have applied a new imputation-based method for analyzing incomplete data, called Monte Carlo Bayesian Database Generation (MCBDG), to the Spent Fuel Isotopic Composition (SFCOMPO) database. About 60% of the entries are absent for SFCOMPO. The method estimates missing values of a property from a probability distribution created from the existing data for the property, and then generates multiple instances of the completed database for training a machine learning algorithm. Uncertainty in the data is represented by an empirical or an assumed error distribution. The method makes few assumptions about the underlying data, and compares favorably against results obtained bymore » replacing missing information with constant values.« less

Final Report for Project titled High Thermal Conductivity Polymer Composites for Low-Cost Heat Exchangers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thibaud-Erkey, Catherine; Alahyari, Abbas

Heat exchangers (HXs) are critical components in a wide range of heat transfer applications, from HVAC (Heating Ventilation and Cooling) to automobiles to manufacturing plants. They require materials capable of transferring heat at high rates while also minimizing thermal expansion over the usage temperature range. Conventionally, metals are used for applications where effective and efficient heat exchange is required, since many metals exhibit thermal conductivity over 100 W/m K. While metal HXs are constantly being improved, they still have some inherent drawbacks due to their metal construction, in particular corrosion. Polymeric material can offer solution to such durability issues andmore » allow designs that cannot be afforded by metal construction either due to complexity or cost. A major drawback of polymeric material is their low thermal conductivity (0.1-0.5? W/mK) that would lead to large system size. Recent improvements in the area of filled polymers have highlighted the possibility to greatly improve the thermal conductivity of polymeric materials while retaining their inherent manufacturing advantage, and have been applied to heat sink applications. Therefore, the objective of this project was to develop a robust review of materials for the manufacturing of industrial and commercial non-metallic heat exchangers. This review consisted of material identification, literature evaluation, as well as empirical and model characterization, resulting in a database of relevant material properties and characteristics to provide guidance for future heat exchanger development.« less

Database of natural matrix reference materials (NMRM) for organic constituents.

PubMed

Iyengar, G V; Bleise, A R

2001-06-01

The International Atomic Energy Agency maintains a database of internationally available certified reference materials (CRM) of natural matrices. This database is periodically updated, and presently documents nearly 25,000 measurands in 1,700 materials. The organic constituents are classified in five major groups of analytes aliphatic and aromatic hydrocarbons (A), chlorinated hydrocarbons (B), pesticides (C), organometallic compounds (D) and other organic constituents (nutrients, etc.) (E). The matrices include natural materials such as body fluids, food products, soils, and sediments, terrestrial (e.g. plants), and anthropogenic products (e.g. dust, fly ash). These five organic groups of analytes encompass more than 2000 measurands for 420 different analytes in 230 materials. Of these measurands, 1,682 (68%) are certified, and 768 (32%) are provided as informational values. Within each major group of analytes, measurands reported as informational values accounted for: A (35%); B (35%); C (26%); D (10%), and E (22%). The high proportion of informational values (i.e. non-certified values) for A, B, and C, compares well with a similar but undesirable situation faced in the nineteen-seventies in the inorganic area when simultaneous multielement techniques became available. In the case of D and E, it appears that mostly targeted analytes are measured, leading to a cohesive certification profile. Although the IAEA database is not equally comprehensive for all groups of analytes cited above, it can still serve as an useful indicator of the status of organic constituents in RMs.

Idaho and Montana non-fuel exploration database 1980-1997

USGS Publications Warehouse

Buckingham, David A.; DiFrancesco, Carl A.; Porter, Kenneth E.; Bleiwas, Donald I.; Causey, J. Douglas; Ferguson, William B.

2006-01-01

This report describes a relational database containing information about mineral exploration projects in the States of Idaho and Montana for the years 1980 through 1997 and a spatial (geographic) database constructed using data from the relational database. The focus of this project was to collect information on exploration for mineral commodities with the exception of sand, gravel, coal, geothermal, oil, and gas. The associate databases supplied with this report are prototypes that can be used or modified as needed. The following sources were used to create the databases-serial mining periodicals; annual mineral publications; mining company reports; U.S. Bureau of Mines (USBM) and U.S. Geological Survey (USGS) publications; an Idaho mineral property data base developed by Dave Boleneus, USGS, Spokane, Washington; Montana state publications; and discussions with representatives of Montana, principally the Montana Bureau of Mines and Geology and the Department of Environmental Quality. Fifty commodity groups were reported between the 596 exploration projects identified in this study. Precious metals (gold, silver, or platinum group elements) were the primary targets for about 67 percent of the exploration projects. Information on 17 of the projects did not include commodities. No location could be determined for 51 projects, all in Idaho. During the time period evaluated, some mineral properties were developed into large mining operations (for example Beal Mountain Mine, Stillwater Mine, Troy Mine, Montana Tunnels Mine) and six properties were reclaimed. Environmental Impact Statements were done on four properties. Some operating mines either closed or went through one or more shutdowns and re-openings. Other properties, where significant resources were delineated by recent exploration during this time frame, await the outcome of important factors for development such as defining additional reserves, higher metal prices, and the permitting process. Many of these projects examined relatively minor mineral occurrences. Approximately half of the exploration projects are located on Federal lands and about 40 percent were on lands managed by the U.S. Forest Service. More than 75 percent of the exploration occurred in areas with significant previous mineral activity.

AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals.

PubMed

Hicks, David; Oses, Corey; Gossett, Eric; Gomez, Geena; Taylor, Richard H; Toher, Cormac; Mehl, Michael J; Levy, Ohad; Curtarolo, Stefano

2018-05-01

Determination of the symmetry profile of structures is a persistent challenge in materials science. Results often vary amongst standard packages, hindering autonomous materials development by requiring continuous user attention and educated guesses. This article presents a robust procedure for evaluating the complete suite of symmetry properties, featuring various representations for the point, factor and space groups, site symmetries and Wyckoff positions. The protocol determines a system-specific mapping tolerance that yields symmetry operations entirely commensurate with fundamental crystallographic principles. The self-consistent tolerance characterizes the effective spatial resolution of the reported atomic positions. The approach is compared with the most used programs and is successfully validated against the space-group information provided for over 54 000 entries in the Inorganic Crystal Structure Database (ICSD). Subsequently, a complete symmetry analysis is applied to all 1.7+ million entries of the AFLOW data repository. The AFLOW-SYM package has been implemented in, and made available for, public use through the automated ab initio framework AFLOW.

A scattering database of marine particles and its application in optical analysis

NASA Astrophysics Data System (ADS)

Xu, G.; Yang, P.; Kattawar, G.; Zhang, X.

2016-12-01

In modeling the scattering properties of marine particles (e.g. phytoplankton), the laboratory studies imply a need to properly account for the influence of particle morphology, in addition to size and composition. In this study, a marine particle scattering database is constructed using a collection of distorted hexahedral shapes. Specifically, the scattering properties of each size bin and refractive index are obtained by the ensemble average associated with distorted hexahedra with randomly tilted facets and selected aspect ratios (from elongated to flattened). The randomness degree in shape-generation process defines the geometric irregularity of the particles in the group. The geometric irregularity and particle aspect ratios constitute a set of "shape factors" to be accounted for (e.g. in best-fit analysis). To cover most of the marine particle size range, we combine the Invariant Imbedding T-matrix (II-TM) method and the Physical-Geometric Optics Hybrid (PGOH) method in the calculations. The simulated optical properties are shown and compared with those obtained from Lorenz-Mie Theory. Using the scattering database, we present a preliminary optical analysis of laboratory-measured optical properties of marine particles.

Robust Informatics Infrastructure Required For ICME: Combining Virtual and Experimental Data

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Holland, Frederic A. Jr.; Bednarcyk, Brett A.

2014-01-01

With the increased emphasis on reducing the cost and time to market of new materials, the need for robust automated materials information management system(s) enabling sophisticated data mining tools is increasing, as evidenced by the emphasis on Integrated Computational Materials Engineering (ICME) and the recent establishment of the Materials Genome Initiative (MGI). This need is also fueled by the demands for higher efficiency in material testing; consistency, quality and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. Further, the use of increasingly sophisticated nonlinear, anisotropic and or multi-scale models requires both the processing of large volumes of test data and complex materials data necessary to establish processing-microstructure-property-performance relationships. Fortunately, material information management systems have kept pace with the growing user demands and evolved to enable: (i) the capture of both point wise data and full spectra of raw data curves, (ii) data management functions such as access, version, and quality controls;(iii) a wide range of data import, export and analysis capabilities; (iv) data pedigree traceability mechanisms; (v) data searching, reporting and viewing tools; and (vi) access to the information via a wide range of interfaces. This paper discusses key principles for the development of a robust materials information management system to enable the connections at various length scales to be made between experimental data and corresponding multiscale modeling toolsets to enable ICME. In particular, NASA Glenn's efforts towards establishing such a database for capturing constitutive modeling behavior for both monolithic and composites materials

Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases

DOE PAGES

Jain, Anubhav; Persson, Kristin A.; Ceder, Gerbrand

2016-03-24

Materials innovations enable new technological capabilities and drive major societal advancements but have historically required long and costly development cycles. The Materials Genome Initiative (MGI) aims to greatly reduce this time and cost. Here, we focus on data reuse in the MGI and, in particular, discuss the impact of three different computational databases based on density functional theory methods to the research community. Finally, we discuss and provide recommendations on technical aspects of data reuse, outline remaining fundamental challenges, and present an outlook on the future of MGI's vision of data sharing.

Overview of a compre­hensive resource database for the assessment of recoverable hydrocarbons produced by carbon dioxide enhanced oil recovery

USGS Publications Warehouse

Carolus, Marshall; Biglarbigi, Khosrow; Warwick, Peter D.; Attanasi, Emil D.; Freeman, Philip A.; Lohr, Celeste D.

2017-10-24

A database called the “Comprehensive Resource Database” (CRD) was prepared to support U.S. Geological Survey (USGS) assessments of technically recoverable hydrocarbons that might result from the injection of miscible or immiscible carbon dioxide (CO2) for enhanced oil recovery (EOR). The CRD was designed by INTEK Inc., a consulting company under contract to the USGS. The CRD contains data on the location, key petrophysical properties, production, and well counts (number of wells) for the major oil and gas reservoirs in onshore areas and State waters of the conterminous United States and Alaska. The CRD includes proprietary data on petrophysical properties of fields and reservoirs from the “Significant Oil and Gas Fields of the United States Database,” prepared by Nehring Associates in 2012, and proprietary production and drilling data from the “Petroleum Information Data Model Relational U.S. Well Data,” prepared by IHS Inc. in 2012. This report describes the CRD and the computer algorithms used to (1) estimate missing reservoir property values in the Nehring Associates (2012) database, and to (2) generate values of additional properties used to characterize reservoirs suitable for miscible or immiscible CO2 flooding for EOR. Because of the proprietary nature of the data and contractual obligations, the CRD and actual data from Nehring Associates (2012) and IHS Inc. (2012) cannot be presented in this report.

Analysis of SNL/MSU/DOE Fatigue Database Trends for Wind Turbine Blade Materials 2010-2015.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mandell, John F.; Samborsky, Daniel D.; Miller, David A.

Wind turbine blades are designed to several major structural conditions, including tip deflection, strength and b uckling during severe loading, as well as very high numbers of fatigue cycles and various service environments. The MSU Database Program has, since 1989, addressed the broad range of properties needed for current and potential blade materials through stati c and fatigue testing and test development in cooperation with Sandia National Laboratories and wind industry and supplier partners. This report is the latest in a series, giving test results and analysis for the period 2010 - 2015. Program data are compiled in a publicmore » database [1] and other reports and publications given in the cited references. The report begins with an executive summary and introductory material including background discussion of previous related studies. Section 3 describes experimental methods including processing, test methods, instrumentation and test development. Section 4 provides static tension, compression and shear stress - strain properties in three directions using coupons sectioned from a thick infused unidirectional glass/epoxy laminate. The nonlinear, shear dominated static properties were characterized with loading - u nloading - reloading (LUR) tests in tension and compression to increasing load levels, for +-45O laminates. Section 5 explores the origins of tensile fatigue sensitivity in glass fiber dominated laminates with variations in fabric architecture including speci ally prepared fabrics and aligned strand laminates. Several types of resins are considered, with variations in resin toughness and bonding to fibers, as well as cure cycle variations for an epoxy. Conclusions are drawn as to the limits of tensile fatigue r esistance and the effects of resin type and fabric architecture, including the behavior of a commercial aligned glass strand product. Interactions between cyclic fatigue response and creep are addressed for off - axis (+-45O) glass/epoxy laminates in Sectio n 6. The nonlinear fatigue and creep stress - strain and cumulative strain response are characterized in tension and compression as a function of stress level, cycles and cumulative time, using square and sinewave loading over a broad range of frequency. The results are analyzed in terms of the cycles and cumulative time under load. A cumulative strain failure criterion is established, and used to construct shear and tension constant life diagrams (CLD's) with data for nine R - values. The effects of a more duc tile urethne resin are also explored. A previous study of thick adhesives testing is extended to mixed mode fracture mechanics testing in Section 7. Mechanisms of static and fatigue crack extension near the laminate adherend interface are reported in deta il. Data are presented for mixed mode adhesive fracture, compared to mixed mode fracture in ply delamination. Fatigue crack growth exponents are also developed for a mixed mode cracked lap shear coupon. The data for fatigue trends and relative failure stra ins and exponents are compared for various blade component materials in Section 8. The effects of temperature and seawater saturation are considered for selected materials of interest for wind and hydrokinetic turbine blades in Section 9. Section 10 gives detailed conclusions for each section. A cknowledgements The research presented in this report was carried out under Sandia National Laboratories purchase orders 1325028 an d 1543945 between 2010 and 2015, with support from the DOE Wind and Water Technologies Office . In addition to the authors listed, significant contributions were made by Patrick Flaherty, Pancastya Agastra, Michael Schuster, and Michael Voth. Industry m aterials suppliers include Vectorply, Saertex, OCV, AGY, Bayer, Ashland, 3M and Nextel. Industry suppliers with significant contributions to the study were Hexion, PPG, Reichhold, Gurit and NEPTCO. Intentionally Left Blank« less

Comparison of Ablation Predictions for Carbonaceous Materials Using CEA and JANAF-Based Species Thermodynamics

NASA Technical Reports Server (NTRS)

Milos, Frank S.

2011-01-01

In most previous work at NASA Ames Research Center, ablation predictions for carbonaceous materials were obtained using a species thermodynamics database developed by Aerotherm Corporation. This database is derived mostly from the JANAF thermochemical tables. However, the CEA thermodynamics database, also used by NASA, is considered more up to date. In this work, the FIAT code was modified to use CEA-based curve fits for species thermodynamics, then analyses using both the JANAF and CEA thermodynamics were performed for carbon and carbon phenolic materials over a range of test conditions. The ablation predictions are comparable at lower heat fluxes where the dominant mechanism is carbon oxidation. However, the predictions begin to diverge in the sublimation regime, with the CEA model predicting lower recession. The disagreement is more significant for carbon phenolic than for carbon, and this difference is attributed to hydrocarbon species that may contribute to the ablation rate.

AccuNet/AP (Associated Press) Multimedia Archive

ERIC Educational Resources Information Center

Young, Terrence E., Jr.

2004-01-01

The AccuNet/AP Multimedia Archive is an electronic library containing the AP's current photos and a selection of pictures from their enormous print and negative library, as well as text and graphic material. It is composed of two photo databases as well as graphics, text, and audio databases. The features of this database are briefly described in…

Evaluation of an Online Instructional Database Accessed by QR Codes to Support Biochemistry Practical Laboratory Classes

ERIC Educational Resources Information Center

Yip, Tor; Melling, Louise; Shaw, Kirsty J.

2016-01-01

An online instructional database containing information on commonly used pieces of laboratory equipment was created. In order to make the database highly accessible and to promote its use, QR codes were utilized. The instructional materials were available anytime and accessed using QR codes located on the equipment itself and within undergraduate…

Consumer Product Category Database

EPA Pesticide Factsheets

The Chemical and Product Categories database (CPCat) catalogs the use of over 40,000 chemicals and their presence in different consumer products. The chemical use information is compiled from multiple sources while product information is gathered from publicly available Material Safety Data Sheets (MSDS). EPA researchers are evaluating the possibility of expanding the database with additional product and use information.

In silico environmental chemical science: properties and processes from statistical and computational modelling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tratnyek, Paul G.; Bylaska, Eric J.; Weber, Eric J.

2017-01-01

Quantitative structure–activity relationships (QSARs) have long been used in the environmental sciences. More recently, molecular modeling and chemoinformatic methods have become widespread. These methods have the potential to expand and accelerate advances in environmental chemistry because they complement observational and experimental data with “in silico” results and analysis. The opportunities and challenges that arise at the intersection between statistical and theoretical in silico methods are most apparent in the context of properties that determine the environmental fate and effects of chemical contaminants (degradation rate constants, partition coefficients, toxicities, etc.). The main example of this is the calibration of QSARs usingmore » descriptor variable data calculated from molecular modeling, which can make QSARs more useful for predicting property data that are unavailable, but also can make them more powerful tools for diagnosis of fate determining pathways and mechanisms. Emerging opportunities for “in silico environmental chemical science” are to move beyond the calculation of specific chemical properties using statistical models and toward more fully in silico models, prediction of transformation pathways and products, incorporation of environmental factors into model predictions, integration of databases and predictive models into more comprehensive and efficient tools for exposure assessment, and extending the applicability of all the above from chemicals to biologicals and materials.« less

Fibrous tissues growth and remodeling: Evolutionary micro-mechanical theory

NASA Astrophysics Data System (ADS)

Lanir, Yoram

2017-10-01

Living fibrous tissues are composite materials having the unique ability to adapt their size, shape, structure and mechanical properties in response to external loading. This adaptation, termed growth and remodeling (G&R), occurs throughout life and is achieved via cell-induced turnover of tissue constituents where some are degraded and new ones are produced. Realistic mathematical modeling of G&R provides insight into the basic processes, allows for hypotheses testing, and constitutes an essential tool for establishing clinical thresholds of pathological remodeling and for the production of tissue substitutes aimed to achieve target structure and properties. In this study, a general 3D micro-mechanical multi-scale theory of G&R in fibrous tissue was developed which connects between the evolution of the tissue structure and properties, and the underlying mechano-biological turnover events of its constituents. This structural approach circumvents a fundamental obstacle in modeling growth mechanics since the growth motion is not bijective. The model was realized for a flat tissue under two biaxial external loadings using data-based parameter values. The predictions show close similarity to characteristics of remodeled adult tissue including its structure, anisotropic and non-linear mechanical properties, and the onset of in situ pre-strain and pre-stress. The results suggest that these important features of living fibrous tissues evolve as they grow.

Physical-chemical property based sequence motifs and methods regarding same

DOEpatents

Braun, Werner [Friendswood, TX; Mathura, Venkatarajan S [Sarasota, FL; Schein, Catherine H [Friendswood, TX

2008-09-09

A data analysis system, program, and/or method, e.g., a data mining/data exploration method, using physical-chemical property motifs. For example, a sequence database may be searched for identifying segments thereof having physical-chemical properties similar to the physical-chemical property motifs.

Draft secure medical database standard.

PubMed

Pangalos, George

2002-01-01

Medical database security is a particularly important issue for all Healthcare establishments. Medical information systems are intended to support a wide range of pertinent health issues today, for example: assure the quality of care, support effective management of the health services institutions, monitor and contain the cost of care, implement technology into care without violating social values, ensure the equity and availability of care, preserve humanity despite the proliferation of technology etc.. In this context, medical database security aims primarily to support: high availability, accuracy and consistency of the stored data, the medical professional secrecy and confidentiality, and the protection of the privacy of the patient. These properties, though of technical nature, basically require that the system is actually helpful for medical care and not harmful to patients. These later properties require in turn not only that fundamental ethical principles are not violated by employing database systems, but instead, are effectively enforced by technical means. This document reviews the existing and emerging work on the security of medical database systems. It presents in detail the related problems and requirements related to medical database security. It addresses the problems of medical database security policies, secure design methodologies and implementation techniques. It also describes the current legal framework and regulatory requirements for medical database security. The issue of medical database security guidelines is also examined in detailed. The current national and international efforts in the area are studied. It also gives an overview of the research work in the area. The document also presents in detail the most complete to our knowledge set of security guidelines for the development and operation of medical database systems.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ongari, Daniele; Boyd, Peter G.; Barthel, Senja

Pore volume is one of the main properties for the characterization of microporous crystals. It is experimentally measurable, and it can also be obtained from the refined unit cell by a number of computational techniques. In this work, we assess the accuracy and the discrepancies between the different computational methods which are commonly used for this purpose, i.e, geometric, helium, and probe center pore volumes, by studying a database of more than 5000 frameworks. We developed a new technique to fully characterize the internal void of a microporous material and to compute the probe-accessible and -occupiable pore volume. Lasty, wemore » show that, unlike the other definitions of pore volume, the occupiable pore volume can be directly related to the experimentally measured pore volumes from nitrogen isotherms.« less

Comprehensive BRL-CAD Primitive Database

DTIC Science & Technology

2015-03-01

are not to be construed as an official Department of the Army position unless so designated by other authorized documents. Citation of...database provides the target describers of BRL–CAD with a representative example of each primitive’s shape and its properties. In addition to the...database was completed, a tool was created to generate primitive shapes automatically. This provides target describers—CAD experts who generate

Fuel conditioning facility zone-to-zone transfer administrative controls.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pope, C. L.

2000-06-21

The administrative controls associated with transferring containers from one criticality hazard control zone to another in the Argonne National Laboratory (ANL) Fuel Conditioning Facility (FCF) are described. FCF, located at the ANL-West site near Idaho Falls, Idaho, is used to remotely process spent sodium bonded metallic fuel for disposition. The process involves nearly forty widely varying material forms and types, over fifty specific use container types, and over thirty distinct zones where work activities occur. During 1999, over five thousand transfers from one zone to another were conducted. Limits are placed on mass, material form and type, and container typesmore » for each zone. Ml material and containers are tracked using the Mass Tracking System (MTG). The MTG uses an Oracle database and numerous applications to manage the database. The database stores information specific to the process, including material composition and mass, container identification number and mass, transfer history, and the operators involved in each transfer. The process is controlled using written procedures which specify the zone, containers, and material involved in a task. Transferring a container from one zone to another is called a zone-to-zone transfer (ZZT). ZZTs consist of four distinct phases, select, request, identify, and completion.« less

IDAAPM: integrated database of ADMET and adverse effects of predictive modeling based on FDA approved drug data.

PubMed

Legehar, Ashenafi; Xhaard, Henri; Ghemtio, Leo

2016-01-01

The disposition of a pharmaceutical compound within an organism, i.e. its Absorption, Distribution, Metabolism, Excretion, Toxicity (ADMET) properties and adverse effects, critically affects late stage failure of drug candidates and has led to the withdrawal of approved drugs. Computational methods are effective approaches to reduce the number of safety issues by analyzing possible links between chemical structures and ADMET or adverse effects, but this is limited by the size, quality, and heterogeneity of the data available from individual sources. Thus, large, clean and integrated databases of approved drug data, associated with fast and efficient predictive tools are desirable early in the drug discovery process. We have built a relational database (IDAAPM) to integrate available approved drug data such as drug approval information, ADMET and adverse effects, chemical structures and molecular descriptors, targets, bioactivity and related references. The database has been coupled with a searchable web interface and modern data analytics platform (KNIME) to allow data access, data transformation, initial analysis and further predictive modeling. Data were extracted from FDA resources and supplemented from other publicly available databases. Currently, the database contains information regarding about 19,226 FDA approval applications for 31,815 products (small molecules and biologics) with their approval history, 2505 active ingredients, together with as many ADMET properties, 1629 molecular structures, 2.5 million adverse effects and 36,963 experimental drug-target bioactivity data. IDAAPM is a unique resource that, in a single relational database, provides detailed information on FDA approved drugs including their ADMET properties and adverse effects, the corresponding targets with bioactivity data, coupled with a data analytics platform. It can be used to perform basic to complex drug-target ADMET or adverse effects analysis and predictive modeling. IDAAPM is freely accessible at http://idaapm.helsinki.fi and can be exploited through a KNIME workflow connected to the database.Graphical abstractFDA approved drug data integration for predictive modeling.

Mechanical resistance of zirconium implant abutments: A review of the literature

PubMed Central

Vaquero-Aguilar, Cristina; Torres-Lagares, Daniel; Jiménez-Melendo, Manuel; Gutiérrez-Pérez, José L.

2012-01-01

The increase of aesthetic demands, together with the successful outcome of current implants, has renewed interest in the search for new materials with enough mechanical properties and better aesthetic qualities than the materials customarily used in implanto-prosthetic rehabilitation. Among these materials, zirconium has been used in different types of implants, including prosthetic abutments. The aim of the present review is to analyse current scientific evidence supporting the use of this material for the above mentioned purposes. We carried out the review of the literature published in the last ten years (2000 through 2010) of in vitro trials of dynamic and static loading of zirconium abutments found in the databases of Medline and Cochrane using the key words zirconium abutment, fracture resistance, fracture strength, cyclic loading. Although we have found a wide variability of values among the different studies, abutments show favourable clinical behaviour for the rehabilitation of single implants in the anterior area. Such variability may be explained by the difficulty to simulate daily mastication under in vitro conditions. The clinical evidence, as found in our study, does not recommend the use of implanto-prosthetic zirconium abutments in the molar area. Key words: Zirconium abutment, zirconium implant abutment, zirconia abutment, fracture resistance, fracture strength, cyclic loading. PMID:22143702

A Review of Stellar Abundance Databases and the Hypatia Catalog Database

NASA Astrophysics Data System (ADS)

Hinkel, Natalie Rose

2018-01-01

The astronomical community is interested in elements from lithium to thorium, from solar twins to peculiarities of stellar evolution, because they give insight into different regimes of star formation and evolution. However, while some trends between elements and other stellar or planetary properties are well known, many other trends are not as obvious and are a point of conflict. For example, stars that host giant planets are found to be consistently enriched in iron, but the same cannot be definitively said for any other element. Therefore, it is time to take advantage of large stellar abundance databases in order to better understand not only the large-scale patterns, but also the more subtle, small-scale trends within the data.In this overview to the special session, I will present a review of large stellar abundance databases that are both currently available (i.e. RAVE, APOGEE) and those that will soon be online (i.e. Gaia-ESO, GALAH). Additionally, I will discuss the Hypatia Catalog Database (www.hypatiacatalog.com) -- which includes abundances from individual literature sources that observed stars within 150pc. The Hypatia Catalog currently contains 72 elements as measured within ~6000 stars, with a total of ~240,000 unique abundance determinations. The online database offers a variety of solar normalizations, stellar properties, and planetary properties (where applicable) that can all be viewed through multiple interactive plotting interfaces as well as in a tabular format. By analyzing stellar abundances for large populations of stars and from a variety of different perspectives, a wealth of information can be revealed on both large and small scales.

Activity computer program for calculating ion irradiation activation

NASA Astrophysics Data System (ADS)

Palmer, Ben; Connolly, Brian; Read, Mark

2017-07-01

A computer program, Activity, was developed to predict the activity and gamma lines of materials irradiated with an ion beam. It uses the TENDL (Koning and Rochman, 2012) [1] proton reaction cross section database, the Stopping and Range of Ions in Matter (SRIM) (Biersack et al., 2010) code, a Nuclear Data Services (NDS) radioactive decay database (Sonzogni, 2006) [2] and an ENDF gamma decay database (Herman and Chadwick, 2006) [3]. An extended version of Bateman's equation is used to calculate the activity at time t, and this equation is solved analytically, with the option to also solve by numeric inverse Laplace Transform as a failsafe. The program outputs the expected activity and gamma lines of the activated material.

Utilization of accident databases and fuzzy sets to estimate frequency of HazMat transport accidents.

PubMed

Qiao, Yuanhua; Keren, Nir; Mannan, M Sam

2009-08-15

Risk assessment and management of transportation of hazardous materials (HazMat) require the estimation of accident frequency. This paper presents a methodology to estimate hazardous materials transportation accident frequency by utilizing publicly available databases and expert knowledge. The estimation process addresses route-dependent and route-independent variables. Negative binomial regression is applied to an analysis of the Department of Public Safety (DPS) accident database to derive basic accident frequency as a function of route-dependent variables, while the effects of route-independent variables are modeled by fuzzy logic. The integrated methodology provides the basis for an overall transportation risk analysis, which can be used later to develop a decision support system.

A multidisciplinary database for global distribution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolfe, P.J.

The issue of selenium toxicity in the environment has been documented in the scientific literature for over 50 years. Recent studies reveal a complex connection between selenium and human and animal populations. This article introduces a bibliographic citation database on selenium in the environment developed for global distribution via the Internet by the University of Wyoming Libraries. The database incorporates material from commercial sources, print abstracts, indexes, and U.S. government literature, resulting in a multidisciplinary resource. Relevant disciplines include, biology, medicine, veterinary science, botany, chemistry, geology, pollution, aquatic sciences, ecology, and others. It covers the years 1985-1996 for most subjectmore » material, with additional years being added as resources permit.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kogalovskii, M.R.

This paper presents a review of problems related to statistical database systems, which are wide-spread in various fields of activity. Statistical databases (SDB) are referred to as databases that consist of data and are used for statistical analysis. Topics under consideration are: SDB peculiarities, properties of data models adequate for SDB requirements, metadata functions, null-value problems, SDB compromise protection problems, stored data compression techniques, and statistical data representation means. Also examined is whether the present Database Management Systems (DBMS) satisfy the SDB requirements. Some actual research directions in SDB systems are considered.

Analytical methods for the measurement of polymerization kinetics and stresses of dental resin-based composites: A review

PubMed Central

Ghavami-Lahiji, Mehrsima; Hooshmand, Tabassom

2017-01-01

Resin-based composites are commonly used restorative materials in dentistry. Such tooth-colored restorations can adhere to the dental tissues. One drawback is that the polymerization shrinkage and induced stresses during the curing procedure is an inherent property of resin composite materials that might impair their performance. This review focuses on the significant developments of laboratory tools in the measurement of polymerization shrinkage and stresses of dental resin-based materials during polymerization. An electronic search of publications from January 1977 to July 2016 was made using ScienceDirect, PubMed, Medline, and Google Scholar databases. The search included only English-language articles. Only studies that performed laboratory methods to evaluate the amount of the polymerization shrinkage and/or stresses of dental resin-based materials during polymerization were selected. The results indicated that various techniques have been introduced with different mechanical/physical bases. Besides, there are factors that may contribute the differences between the various methods in measuring the amount of shrinkages and stresses of resin composites. The search for an ideal and standard apparatus for measuring shrinkage stress and volumetric polymerization shrinkage of resin-based materials in dentistry is still required. Researchers and clinicians must be aware of differences between analytical methods to make proper interpretation and indications of each technique relevant to a clinical situation. PMID:28928776

Options and recommendations for a web database of material and construction inspection.

DOT National Transportation Integrated Search

2015-02-01

The Illinois Department of Transportation (IDOT) has been using software developed in-house for their : materials management and construction project management needs. The primary packages under : review MISTIC (Materials Management) and ICORS (Const...

A geodata warehouse: Using denormalisation techniques as a tool for delivering spatially enabled integrated geological information to geologists

NASA Astrophysics Data System (ADS)

Kingdon, Andrew; Nayembil, Martin L.; Richardson, Anne E.; Smith, A. Graham

2016-11-01

New requirements to understand geological properties in three dimensions have led to the development of PropBase, a data structure and delivery tools to deliver this. At the BGS, relational database management systems (RDBMS) has facilitated effective data management using normalised subject-based database designs with business rules in a centralised, vocabulary controlled, architecture. These have delivered effective data storage in a secure environment. However, isolated subject-oriented designs prevented efficient cross-domain querying of datasets. Additionally, the tools provided often did not enable effective data discovery as they struggled to resolve the complex underlying normalised structures providing poor data access speeds. Users developed bespoke access tools to structures they did not fully understand sometimes delivering them incorrect results. Therefore, BGS has developed PropBase, a generic denormalised data structure within an RDBMS to store property data, to facilitate rapid and standardised data discovery and access, incorporating 2D and 3D physical and chemical property data, with associated metadata. This includes scripts to populate and synchronise the layer with its data sources through structured input and transcription standards. A core component of the architecture includes, an optimised query object, to deliver geoscience information from a structure equivalent to a data warehouse. This enables optimised query performance to deliver data in multiple standardised formats using a web discovery tool. Semantic interoperability is enforced through vocabularies combined from all data sources facilitating searching of related terms. PropBase holds 28.1 million spatially enabled property data points from 10 source databases incorporating over 50 property data types with a vocabulary set that includes 557 property terms. By enabling property data searches across multiple databases PropBase has facilitated new scientific research, previously considered impractical. PropBase is easily extended to incorporate 4D data (time series) and is providing a baseline for new "big data" monitoring projects.

Systematic analysis of snake neurotoxins' functional classification using a data warehousing approach.

PubMed

Siew, Joyce Phui Yee; Khan, Asif M; Tan, Paul T J; Koh, Judice L Y; Seah, Seng Hong; Koo, Chuay Yeng; Chai, Siaw Ching; Armugam, Arunmozhiarasi; Brusic, Vladimir; Jeyaseelan, Kandiah

2004-12-12

Sequence annotations, functional and structural data on snake venom neurotoxins (svNTXs) are scattered across multiple databases and literature sources. Sequence annotations and structural data are available in the public molecular databases, while functional data are almost exclusively available in the published articles. There is a need for a specialized svNTXs database that contains NTX entries, which are organized, well annotated and classified in a systematic manner. We have systematically analyzed svNTXs and classified them using structure-function groups based on their structural, functional and phylogenetic properties. Using conserved motifs in each phylogenetic group, we built an intelligent module for the prediction of structural and functional properties of unknown NTXs. We also developed an annotation tool to aid the functional prediction of newly identified NTXs as an additional resource for the venom research community. We created a searchable online database of NTX proteins sequences (http://research.i2r.a-star.edu.sg/Templar/DB/snake_neurotoxin). This database can also be found under Swiss-Prot Toxin Annotation Project website (http://www.expasy.org/sprot/).

SATPdb: a database of structurally annotated therapeutic peptides

PubMed Central

Singh, Sandeep; Chaudhary, Kumardeep; Dhanda, Sandeep Kumar; Bhalla, Sherry; Usmani, Salman Sadullah; Gautam, Ankur; Tuknait, Abhishek; Agrawal, Piyush; Mathur, Deepika; Raghava, Gajendra P.S.

2016-01-01

SATPdb (http://crdd.osdd.net/raghava/satpdb/) is a database of structurally annotated therapeutic peptides, curated from 22 public domain peptide databases/datasets including 9 of our own. The current version holds 19192 unique experimentally validated therapeutic peptide sequences having length between 2 and 50 amino acids. It covers peptides having natural, non-natural and modified residues. These peptides were systematically grouped into 10 categories based on their major function or therapeutic property like 1099 anticancer, 10585 antimicrobial, 1642 drug delivery and 1698 antihypertensive peptides. We assigned or annotated structure of these therapeutic peptides using structural databases (Protein Data Bank) and state-of-the-art structure prediction methods like I-TASSER, HHsearch and PEPstrMOD. In addition, SATPdb facilitates users in performing various tasks that include: (i) structure and sequence similarity search, (ii) peptide browsing based on their function and properties, (iii) identification of moonlighting peptides and (iv) searching of peptides having desired structure and therapeutic activities. We hope this database will be useful for researchers working in the field of peptide-based therapeutics. PMID:26527728

Using Web Database Tools To Facilitate the Construction of Knowledge in Online Courses.

ERIC Educational Resources Information Center

McNeil, Sara G.; Robin, Bernard R.

This paper presents an overview of database tools that dynamically generate World Wide Web materials and focuses on the use of these tools to support research activities, as well as teaching and learning. Database applications have been used in classrooms to support learning activities for over a decade, but, although business and e-commerce have…

An investigation of industrial molding compounds for use in 3D ultrasound, MRI, and CT imaging phantoms.

PubMed

Yunker, Bryan E; Cordes, Dietmar; Scherzinger, Ann L; Dodd, Gerald D; Shandas, Robin; Feng, Yusheng; Hunter, Kendall S

2013-05-01

This study investigated the ultrasound, MRI, and CT imaging characteristics of several industrial casting and molding compounds as a precursor to the future development of durable and anatomically correct flow phantoms. A set of usability and performance criteria was established for a proposed phantom design capable of supporting liquid flow during imaging. A literature search was conducted to identify the materials and methods previously used in phantom fabrication. A database of human tissue and casting material properties was compiled to facilitate the selection of appropriate materials for testing. Several industrial casting materials were selected, procured, and used to fabricate test samples that were imaged with ultrasound, MRI, and CT. Five silicones and one polyurethane were selected for testing. Samples of all materials were successfully fabricated. All imaging modalities were able to discriminate between the materials tested. Ultrasound testing showed that three of the silicones could be imaged to a depth of at least 2.5 cm (1 in.). The RP-6400 polyurethane exhibited excellent contrast and edge detail for MRI phantoms and appears to be an excellent water reference for CT applications. The 10T and 27T silicones appear to be usable water references for MRI imaging. Based on study data and the stated selection criteria, the P-4 silicone provided sufficient material contrast to water and edge detail for use across all imaging modalities with the benefits of availability, low cost, dimensional stability, nontoxic, nonflammable, durable, cleanable, and optical clarity. The physical and imaging differences of the materials documented in this study may be useful for other applications.