WorldWideScience

Sample records for modeling material synthesis

  1. SYNTHESIS OF VISCOELASTIC MATERIAL MODELS (SCHEMES

    Directory of Open Access Journals (Sweden)

    V. Bogomolov

    2014-10-01

    Full Text Available The principles of structural viscoelastic schemes construction for materials with linear viscoelastic properties in accordance with the given experimental data on creep tests are analyzed. It is shown that there can be only four types of materials with linear visco-elastic properties.

  2. Texture synthesis models and material perception in the visual periphery

    Science.gov (United States)

    Balas, Benjamin

    2015-03-01

    The feature vocabularies used to support texture synthesis algorithms are increasingly being used to examine various aspects of human visual perception. These algorithms offer both a rich set of features that are typically sufficient to capture the appearance of complex natural inputs and a means of carrying out psychophysical experiments using synthetic textures as a proxy for the transformations ostensibly carried out by the visual system when processing natural images using summary statistics. Texture synthesis algorithms have recently been successfully applied to a wide range of visual tasks including texture perception, visual crowding, visual search, among others. Presently, we used both nonparametric and parametric texture synthesis models to investigate the nature of material perception in the visual periphery. We asked participants to classify images of four natural materials (metal, stone, water, and wood) when briefly presented in the visual periphery and compared the errors made under these viewing conditions to the errors made when judging the material category of synthetic images made from the original targets. We found that the confusions made under these two scenarios were substantially different, suggesting that these particular models do not appear to account for material perception in the periphery.

  3. Maximizing hysteretic losses in magnetic ferrite nanoparticles via model-driven synthesis and materials optimization.

    Science.gov (United States)

    Chen, Ritchie; Christiansen, Michael G; Anikeeva, Polina

    2013-10-22

    This article develops a set of design guidelines for maximizing heat dissipation characteristics of magnetic ferrite MFe2O4 (M = Mn, Fe, Co) nanoparticles in alternating magnetic fields. Using magnetic and structural nanoparticle characterization, we identify key synthetic parameters in the thermal decomposition of organometallic precursors that yield optimized magnetic nanoparticles over a wide range of sizes and compositions. The developed synthetic procedures allow for gram-scale production of magnetic nanoparticles stable in physiological buffer for several months. Our magnetic nanoparticles display some of the highest heat dissipation rates, which are in qualitative agreement with the trends predicted by a dynamic hysteresis model of coherent magnetization reversal in single domain magnetic particles. By combining physical simulations with robust scalable synthesis and materials characterization techniques, this work provides a pathway to a model-driven design of magnetic nanoparticles tailored to a variety of biomedical applications ranging from cancer hyperthermia to remote control of gene expression.

  4. Essentials of inorganic materials synthesis

    CERN Document Server

    Rao, C N R

    2015-01-01

    This compact handbook describes all the important methods of synthesis employed today for synthesizing inorganic materials. Some features: Focuses on modern inorganic materials with applications in nanotechnology, energy materials, and sustainability Synthesis is a crucial component of materials science and technology; this book provides a simple introduction as well as an updated description of methods Written in a very simple style, providing references to the literature to get details of the methods of preparation when required

  5. Ferroic materials synthesis and applications

    CERN Document Server

    Virk, Hardev Singh

    2015-01-01

    Ferroics is the generic name given to the study of ferromagnets, ferroelectrics, and ferroelastics. The basis of this study is to understand the large changes in physical characteristics that occur over a very narrow temperature range. In recent years, a new class of ferroic materials has been attracting increased interest. These multiferroics exhibit more than one ferroic property simultaneously in a single phase. The present volume: ""Ferroic Materials: Synthesis and Applications"" has ten Chapters, spread over areas as diverse as Magnetic Oxide Nanomaterials, Ferrites Synthesis, Hexaferrite

  6. Synthesis of Energetic Materials.

    Science.gov (United States)

    1986-03-31

    of the diazabicyclooctanes 11 and 12. The starting materials in this work were gbtained by the reaction of c-anogen with sodio diethylmalonate to give...effortto find routes which would lead to 11 and 12. Catalytic hydrogenation of 27 gave the doy~le lactam 28. The sodio derivative 26 was methylated to

  7. Modelling of ion sorption on complex solid materials. Synthesis of research activities

    International Nuclear Information System (INIS)

    Marmier, Nicolas

    2000-01-01

    In this HDR (Accreditation to Supervise Researches) report, the author proposes an overview of his research activities which are part of efforts of qualification and quantification of retention capacities of synthetic and artificial materials used to confine nuclear wastes in an underground geological site by absorption of radio-elements possibly passed into solution. More specifically, these research works focused on models aimed at predicting the behaviour of a mixing with respect to adsorption, and thus at avoiding too cumbersome experimental characterizations. The author presents the designed modelling approach and models, describes the implemented scientific approach and the associated data acquisition methodology, and discusses the obtained results. He finally proposed an assessment of these research works, and discusses research perspectives on a short and medium term [fr

  8. Composite nanoparticles: A new way to siliceous materials and a model of biosilica synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Annenkov, Vadim V., E-mail: annenkov@lin.irk.ru [Limnological Institute, Siberian Branch of the Russian Academy of Sciences, Irkutsk 664033 (Russian Federation); Pal' shin, Viktor A.; Verkhozina, Olga N. [Limnological Institute, Siberian Branch of the Russian Academy of Sciences, Irkutsk 664033 (Russian Federation); Larina, Lyudmila I. [A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk 664033 (Russian Federation); Danilovtseva, Elena N. [Limnological Institute, Siberian Branch of the Russian Academy of Sciences, Irkutsk 664033 (Russian Federation)

    2015-09-01

    A new polyampholyte based on poly (acrylic acid) which bears pendant polyamine oligomeric chains (average number of the nitrogen atoms is 11.2) is obtained. This polymer is a model of silaffins – proteins playing important role in formation of siliceous structures in diatom algae and sponges. The polymer catalyses condensation of silicic acid. The obtained solutions contain oligosilicates coordinated with the polymer chains. The action of 50,000 g gravity on this solution results in concentrating-induced condensation of the pre-condensed siliceous oligomers. The obtained solid silica contains 4% admixture of the organic polymer which is close to the silica from diatom frustules. These results confirm the hypothesis about formation of biosilica under the action of desiccation agent, e.g. aquaporins. The formation of solid substances during centrifugation of solutions containing soluble oligomers is a new promising approach to inorganic and composite materials which allows to work in aqueous medium and to reuse the organic polymer. - Highlights: • A polyampholyte with pendant polyamine chains is obtained. • The polymer catalyses condensation of silicic acid giving stable solutions. • Gravity-induced (50,000 g) formation of solid silica was observed in these solutions. • The obtained silica is close to biosilica from diatom frustules. • A new approach to inorganic and composite materials is proposed.

  9. Synthesis and Characterization of the Hybrid Clay- Based Material Montmorillonite-Melanoidin: A Potential Soil Model

    Energy Technology Data Exchange (ETDEWEB)

    V Vilas; B Matthiasch; J Huth; J Kratz; S Rubert de la Rosa; P Michel; T Schäfer

    2011-12-31

    The study of the interactions among metals, minerals, and humic substances is essential in understanding the migration of inorganic pollutants in the geosphere. A considerable amount of organic matter in the environment is associated with clay minerals. To understand the role of organic matter in the environment and its association with clay minerals, a hybrid clay-based material (HCM), montmorillonite (STx-1)-melanoidin, was prepared from L-tyrosine and L-glutamic acid by the Maillard reaction. The HCM was characterized by elemental analysis, nuclear magnetic resonance, x-ray photoelectron spectroscopy (XPS), scanning transmission x-ray microscopy (STXM), and thermal analysis. The presence of organic materials on the surface was confirmed by XPS and STXM. The STXM results showed the presence of organic spots on the surface of the STx-1 and the characterization of the functional groups present in those spots. Thermal analysis confirmed the existence of organic materials in the montmorillonite interlayer, indicating the formation of a composite of melanoidin and montmorillonite. The melanoidin appeared to be located partially between the layers of montmorillonite and partially at the surface, forming a structure that resembles the way a cork sits on the top of a champagne bottle.

  10. Chemical reactivity of precursor materials during synthesis of glasses used for conditioning high-level radioactive waste: Experiments and models

    International Nuclear Information System (INIS)

    Monteiro, A.

    2012-01-01

    The glass used to store high-level radioactive waste is produced by reaction of a solid waste residue and a glassy precursor (glass frit). The waste residue is first dried and calcined (to lose water and nitrogen respectively), then mixed with the glass frit to enable vitrification at high temperature. In order to obtain a good quality glass of constant composition upon cooling, the chemical reactions between the solid precursors must be complete while in the liquid state, to enable incorporation of the radioactive elements into the glassy matrix. The physical and chemical conditions during glass synthesis (e.g. temperature, relative proportions of frit and calcine, amount of radioactive charge) are typically empirically adjusted to obtain a satisfactory final product. The aim of this work is to provide new insights into the chemical and physical interactions that take place during vitrification and to provide data for a mathematical model that has been developed to simulate the chemical reactions. The consequences of the different chemical reactions that involve solid, liquid and gaseous phases are described (thermal effects, changes in crystal morphology and composition, variations in melt properties and structure). In a first series of experiments, a simplified analogue of the calcine (NaNO 3 -Al 2 O 3 ± MoO 3 /Nd 2 O 3 ) has been studied. In a second series of experiments, the simplified calcines have been reacted with a simplified glass frit (SiO 2 -Na 2 O-B 2 O 3 -Al 2 O 3 ) at high temperature. The results show that crystallization of the calcine may take place before interaction with the glass frit, but that the reactivity with the glass at high temperature is a function of the nature and stoichiometry of the crystalline phases which form at low temperature. The results also highlight how the mixing of the starting materials, the physical properties of the frit (viscosity, glass transition temperature) and the Na 2 O/Al 2 O 3 of the calcine but also its

  11. Synthesis and processing of nanostructured materials

    International Nuclear Information System (INIS)

    Siegel, R.W.

    1992-12-01

    Significant and growing interest is being exhibited in the novel and enhanced properties of nanostructured materials. These materials, with their constituent phase or grain structures modulated on a length scale less than 100 nm, are artificially synthesized by a wide variety of physical, chemical, and mechanical methods. In this NATO Advanced Study Institute, where mechanical behavior is emphasized, nanostructured materials with modulation dimensionalities from one (multilayers) to three (nanophase materials) are mainly considered. No attempt is made in this review to cover in detail all of the diverse methods available for the synthesis of nanostructured materials. Rather, the basic principles involved in their synthesis are discussed in terms of the special properties sought using examples of particular synthesis and processing methodologies. Some examples of the property changes that can result from one of these methods, cluster assembly of nanophase materials, are presented

  12. Development of Novel Polymeric Materials for Gene Therapy and pH-Sensitive Drug Delivery: Modeling, Synthesis, Characterization, and Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, Brian Curtis [Iowa State Univ., Ames, IA (United States)

    2002-01-01

    The underlying theme of this thesis is the use of polymeric materials in bioapplications. Chapters 2-5 either develop a fundamental understanding of current materials used for bioapplications or establish protocols and procedures used in characterizing and synthesizing novel materials. In chapters 6 and 7 these principles and procedures are applied to the development of materials to be used for gene therapy and drug delivery. Chapter one is an introduction to the ideas that will be necessary to understand the subsequent chapters, as well as a literature review of these topics. Chapter two is a paper that has been published in the ''Journal of Controlled Release'' that examines the mechanism of drug release from a polymer gel, as well as experimental design suggestions for the evaluation of water soluble drug delivery systems. Chapter three is a paper that has been published in the ''Journal of Pharmaceutical Sciences'' that discusses the effect ionic salts have on properties of the polymer systems examined in chapter two. Chapter four is a paper published in the Materials Research Society Fall 2000 Symposium Series dealing with the design and synthesis of a pH-sensitive polymeric drug delivery device. Chapter five is a paper that has been published in the journal ''Biomaterials'' proposing a novel polymer/metal composite for use as a biomaterial in hip arthroplasty surgery. Chapter six is a paper that will appear in an upcoming volume of the Journal ''Biomaterials'' dealing with the synthesis of a novel water soluble cationic polymer with possible applications in non-viral gene therapy. Chapter seven is a paper that has been submitted to ''Macromolecules'' discussing several novel block copolymers based on poly(ethylene glycol) and poly(diethylamino ethyl methacrylate) that possess both pH-sensitive and temperature sensitive properties. Chapter eight contains a

  13. Combinatorial synthesis of ceramic materials

    Science.gov (United States)

    Lauf, Robert J.; Walls, Claudia A.; Boatner, Lynn A.

    2006-11-14

    A combinatorial library includes a gelcast substrate defining a plurality of cavities in at least one surface thereof; and a plurality of gelcast test materials in the cavities, at least two of the test materials differing from the substrate in at least one compositional characteristic, the two test materials differing from each other in at least one compositional characteristic.

  14. Radiation synthesis of materials and compounds

    CERN Document Server

    Kharisov, Boris Ildusovich; Ortiz Méndez, Ubaldo

    2013-01-01

    Researchers and engineers working in nuclear laboratories, nuclear electric plants, and elsewhere in the radiochemical industries need a comprehensive handbook describing all possible radiation-chemistry interactions between irradiation and materials, the preparation of materials under distinct radiation types, the possibility of damage of materials under irradiation, and more. Radiation nanotechnology is still practically an undeveloped field, except for some achievements in the fabrication of metallic nanoparticles under ionizing flows. Radiation Synthesis of Materials and Compounds presents the state of the art of the synthesis of materials, composites, and chemical compounds, and describes methods based on the use of ionizing radiation. It is devoted to the preparation of various types of materials (including nanomaterials) and chemical compounds using ionizing radiation (alpha particles, beta particles, gamma rays, x-rays, and neutron, proton, and ion beams). The book presents contributions from leaders ...

  15. Inorganic materials synthesis in ionic liquids

    Directory of Open Access Journals (Sweden)

    Christoph Janiak

    2014-01-01

    Full Text Available The field of "inorganic materials from ionic liquids" (ILs is a young and dynamically growing research area for less than 10 years. The ionothermal synthesis in ILs is often connected with the preparation of nanomaterials, the use of microwave heating and in part also ultrasound. Inorganic material synthesis in ILs allows obtaining phases which are not accessible in conventional organic or aqueous solvents or with standard methods of solid-state chemistry or under such mild conditions. Cases at hand include "ligand-free" metal nanoparticles without added stabilizing capping ligands, inorganic or inorganic-organic hybrid solid-state compounds, large polyhedral clusters and exfoliated graphene from low-temperature synthesis. There are great expectations that ILs open routes towards new, possibly unknown, inorganic materials with advantageous properties that cannot (or only with great difficulty be made via conventional processes.

  16. Testing a model-guided approach to the development of new thermoluminescent materials using YAG:Ln produced by solution combustion synthesis

    International Nuclear Information System (INIS)

    Milliken, E.D.; Oliveira, L.C.; Denis, G.; Yukihara, E.G.

    2012-01-01

    The objective of this work is to test a model-guided approach, coupled with an efficient material synthesis method, for the development of new thermoluminescent (TL) material using yttrium aluminum garnet (YAG, Y 3 Al 5 O 12 ) as a model material. We systematically investigated undoped and lanthanide-doped YAG using x-ray diffraction (XRD), TL, and radioluminescence (RL) to understand the role of the lanthanides in the TL process, i.e., whether they act as trapping centers or recombination centers. We also prepared samples with multiple dopants to test the possibility of creating materials with multiple TL peaks. The initial rise method of TL analysis was used to estimate the activation energies associated with the TL peaks. The role of the lanthanide impurities predicted using the lanthanide energy level diagram was largely confirmed, as evidenced by the TL curves, TL emission spectra and activation energy analysis. However, our data suggests that the exact role of the lanthanide dopants during the TL process depends on the thermal stability of the trapped charges, i.e. the same lanthanide can act as a trapping center in one system and as a recombination center in another system. These results demonstrate the possibility of introducing appropriate TL peaks and recombination centers in YAG produced by SCS by lanthanide doping, where the role of the lanthanide dopant is consistent with a model for the lanthanide energy levels. This allows for a more guided approach to the development of new TL materials with peaks in certain temperature range or multiple TL peaks, at least in conditions in which the model applies. - Highlights: ► TL peaks and recombination centers introduced in YAG by Ln doping. ► Role of the Ln consistent with model for the Ln energy levels. ► Model-guided approach to the development of new TL materials demonstrated.

  17. Construction, study and mathematical modelling of the electrical behavior of CZTiS photovoltaic material as function of time and synthesis temperature

    Science.gov (United States)

    Patarroyo, M.; Pérez, H.; Gómez, J.; Vera, E.

    2017-12-01

    This work reports the obtaining, study and mathematical modeling of a photovoltaic material type CZTiS (Cu2ZnTiS4), in function of two thermodynamic variables such as temperature and hydrothermal synthesis time. The obtention the materials had to be validated through the implementation of characterization techniques such as X-Ray Diffraction (XRD) and solid state Impedance Spectroscopy (IS). The results of the characterization, allowed to confirm in all cases the obtention of the materials, with a crystalline structure concordant with a tetragonal geometry space group of I-42m, a preferential crystalline orientation in the plane (1 1 2), with crystal sizes in the nanometric order (5-6nm). The electrical characterization, showed a semiconductor behavior of the solids concordant with values of conductivity that can be modeled by the analysis of variance and verified through the Kramers-kronig transform. The information obtained confirms that the temperature variable is the most strong influence in the electrical behavior of the CZTiS material, which is in agreement with similar works evaluated with alternative techniques [1].

  18. Combinatorial synthesis of inorganic or composite materials

    Science.gov (United States)

    Goldwasser, Isy; Ross, Debra A.; Schultz, Peter G.; Xiang, Xiao-Dong; Briceno, Gabriel; Sun, Xian-Dong; Wang, Kai-An

    2010-08-03

    Methods and apparatus for the preparation and use of a substrate having an array of diverse materials in predefined regions thereon. A substrate having an array of diverse materials thereon is generally prepared by delivering components of materials to predefined regions on a substrate, and simultaneously reacting the components to form at least two materials or, alternatively, allowing the components to interact to form at least two different materials. Materials which can be prepared using the methods and apparatus of the present invention include, for example, covalent network solids, ionic solids and molecular solids. More particularly, materials which can be prepared using the methods and apparatus of the present invention include, for example, inorganic materials, intermetallic materials, metal alloys, ceramic materials, organic materials, organometallic materials, nonbiological organic polymers, composite materials (e.g., inorganic composites, organic composites, or combinations thereof), etc. Once prepared, these materials can be screened for useful properties including, for example, electrical, thermal, mechanical, morphological, optical, magnetic, chemical, or other properties. Thus, the present invention provides methods for the parallel synthesis and analysis of novel materials having useful properties.

  19. organic-inorganic hybrid materials. i: synthesis, characterization and ...

    African Journals Online (AJOL)

    a

    organic-inorganic nanocomposites, and models in the area of biomimetics [13]. Hence, with a focus towards developing a potential photoresist material that has a lithographic action [14], we report herein the facile synthesis, characterization and properties of a novel octasilsesquioxane, which by virtue of its terminal chlorine ...

  20. Synthesis and characterization of innovative insulation materials

    Directory of Open Access Journals (Sweden)

    Skaropoulou Aggeliki

    2018-01-01

    Full Text Available Insulation elements are distinguished in inorganic fibrous and organic foamed materials. Foamed insulation materials are of great acceptance and use, but their major disadvantage is their flammability. In case of fire, they tend to transmit the flame producing toxic gases. In this paper, the synthesis and characterization of innovative inorganic insulation materials with properties competitive to commercial is presented. Their synthesis involves the mixing of inorganic raw material and water with reinforcing agent or/and foaming agent leading to the formation of a gel. Depending on raw materials nature, the insulation material is produced by freeze drying or ambient drying techniques of the gel. The raw material used are chemically benign and abundantly available materials, or industrial by-products and the final products are non-toxic and, in some cases, non-flammable. Their density and thermal conductivity was measured and found 0.02-0.06 g/cm3 and 0.03-0.04 W/mK, respectively.

  1. Combustion and Plasma Synthesis of High-Temperature Materials

    Science.gov (United States)

    Munir, Z. A.; Holt, J. B.

    1997-04-01

    KEYNOTE ADDRESS. Self-Propagating High-Temperature Synthesis: Twenty Years of Search and Findings (A. Merzhanov). SOLID-STATE COMBUSTION SYNTHESIS. Recent Progress in Combustion Synthesis of High-Performance Materials in Japan (M. Koizumi & Y. Miyamoto). Modeling and Numerical Computation of a Nonsteady SHS Process (A. Bayliss & B. Matkowsky). New Models of Quasiperiodic Burning in Combustion Synthesis (S. Margolis, et al.). Modeling of SHS Operations (V. Hlavacek, et al.). Combustion Theory for Sandwiches of Alloyable Materials (R. Armstrong & M. Koszykowski). Observations on the Combustion Reaction Between Thin Foils of Ni and Al (U. Anselmi-Tamburini & Z. Munir). Combustion Synthesis of Intermetallic Compounds (Y. Kaieda, et al.). Combustion Synthesis of Nickel Aluminides (B. Rabin, et al.). Self-Propagating High-Temperature Synthesis of NiTi Intermetallics (H. Yi & J. Moore). Shock-Induced Chemical Synthesis of Intermetallic Compounds (S. Work, et al.). Advanced Ceramics Via SHS (T. DeAngelis & D. Weiss). In-Situ Formation of SiC and SiC-C Blocked Solids by Self-Combustion Synthesis (S. Ikeda, et al.). Powder Purity and Morphology Effects in Combustion-Synthesis Reactions (L. Kecskes, et al.). Simultaneous Synthesis and Densification of Ceramic Components Under Gas Pressure by SHS (Y. Miyamoto & M. Koizumi). The Use of Self-Propagating High-Temperature Synthesis of High-Density Titanium Diboride (P. Zavitsanos, et al.). Metal--Ceramic Composite Pipes Produced by a Centrifugal-Thermit Process (O. Odawara). Simultaneous Combustion Synthesis and Densification of AIN (S. Dunmead, et al.). Fabrication of a Functionally Gradient Material by Using a Self-Propagating Reaction Process (N. Sata, et al.). Combustion Synthesis of Oxide-Carbide Composites (L. Wang, et al.). Heterogeneous Reaction Mechanisms in the Si-C System Under Conditions of Solid Combustion (R. Pampuch, et al.). Experimental Modeling of Particle-Particle Interactions During SHS of TiB2 -Al2O3 (K. Logan

  2. Mechanics of materials model

    Science.gov (United States)

    Meister, Jeffrey P.

    1987-01-01

    The Mechanics of Materials Model (MOMM) is a three-dimensional inelastic structural analysis code for use as an early design stage tool for hot section components. MOMM is a stiffness method finite element code that uses a network of beams to characterize component behavior. The MOMM contains three material models to account for inelastic material behavior. These include the simplified material model, which assumes a bilinear stress-strain response; the state-of-the-art model, which utilizes the classical elastic-plastic-creep strain decomposition; and Walker's viscoplastic model, which accounts for the interaction between creep and plasticity that occurs under cyclic loading conditions.

  3. Instrument Modeling and Synthesis

    Science.gov (United States)

    Horner, Andrew B.; Beauchamp, James W.

    During the 1970s and 1980s, before synthesizers based on direct sampling of musical sounds became popular, replicating musical instruments using frequency modulation (FM) or wavetable synthesis was one of the “holy grails” of music synthesis. Synthesizers such as the Yamaha DX7 allowed users great flexibility in mixing and matching sounds, but were notoriously difficult to coerce into producing sounds like those of a given instrument. Instrument design wizards practiced the mysteries of FM instrument design.

  4. Synthesis and Characterization of 2-D Materials

    Science.gov (United States)

    Pazos, S.; Sahoo, P.; Afaneh, T.; Rodriguez Gutierrez, H.

    Atomically thin transition-metal dichacogenides (TMD), graphene, and boron nitride (BN) are two-dimensional materials where the charge carriers (electrons and holes) are confined to move in a plane. They exhibit distinctive optoelectronic properties compared to their bulk layered counterparts. When combined into heterostructures, these materials open more possibilities in terms of new properties and device functionality. In this work, WSe2 and graphene were grown using Chemical Vapor Deposition (CVD) and Physical Vapor Deposition (PVD) techniques. The quality and morphology of each material was checked using Raman, Photoluminescence Spectroscopy, and Scanning Electron Microscopy. Graphene had been successfully grown homogenously, characterized, and transferred from copper to silicon dioxide substrates; these films will be used in future studies to build 2-D devices. Different morphologies of WSe2 2-D islands were successfully grown on SiO2 substrates. Depending on the synthesis conditions, the material on each sample had single layer, double layer, and multi-layer areas. A variety of 2-D morphologies were also observed in the 2-D islands. This project is supported by the NSF REU Grant #1560090 and NSF Grant #DMR-1557434.

  5. Synthesis, Transfer, and Characterization of Nanoscale 2-Dimensional Materials

    Science.gov (United States)

    2015-09-01

    stack is floating on top of the DDI water surface. Instead of removing the stack with the target substrate, a graphene/copper foil substrate (graphene...demonstrated the synthesis of graphene, hexagonal boron nitride, and bismuth telluride using chemical and physical vapor deposition techniques. Making...for material synthesis, transfer, and characterization. 15. SUBJECT TERMS graphene, hexagonal boron nitride, bismuth telluride, synthesis, transfer

  6. Modelling of thermoelectric materials

    DEFF Research Database (Denmark)

    Bjerg, Lasse

    In order to discover new good thermoelectric materials, there are essentially two ways. One way is to go to the laboratory, synthesise a new material, and measure the thermoelectric properties. The amount of compounds, which can be investigated this way is limited because the process is time...... consuming. Another approach is to model the thermoelectric properties of a material on a computer. Several crystal structures can be investigated this way without use of much man power. I have chosen the latter approach. Using density functional theory I am able to calculate the band structure of a material....... This band structure I can then use to calculate the thermoelectric properties of the material. With these results I have investigated several materials and found the optimum theoretical doping concentration. If materials with these doping concentrations be synthesised, considerably better thermoelectric...

  7. Material model for wood

    NARCIS (Netherlands)

    Sandhaas, C.; Van de Kuilen, J.W.G.

    2013-01-01

    Wood is highly anisotropic and shows ductile behaviour in compression and brittle behaviour in tension and shear where both failure modes can occur simultaneously. A 3D material model for wood based on the concepts of continuum damage mechanics was developed. A material subroutine containing the

  8. Synthesis of functional materials in combustion reactions

    Science.gov (United States)

    Zhuravlev, V. D.; Bamburov, V. G.; Ermakova, L. V.; Lobachevskaya, N. I.

    2015-12-01

    The conditions for obtaining oxide compounds in combustion reactions of nitrates of metals with organic chelating-reducing agents such as amino acids, urea, and polyvinyl alcohol are reviewed. Changing the nature of internal fuels and the reducing agent-to-oxidizing agent ratio makes possible to modify the thermal regime of the process, fractal dimensionality, morphology, and dispersion of synthesized functional materials. This method can be used to synthesize simple and complex oxides, composites, and metal powders, as well as ceramics and coatings. The possibilities of synthesis in combustion reactions are illustrated by examples of αand γ-Al2O3, YSZ composites, uranium oxides, nickel powder, NiO and NiO: YSZ composite, TiO2, and manganites, cobaltites, and aluminates of rare earth elements.

  9. Manufacturing Demonstration Facility: Low Temperature Materials Synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Graham, David E. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Moon, Ji-Won [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Armstrong, Beth L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Datskos, Panos G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Duty, Chad E. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Gresback, Ryan [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Ivanov, Ilia N. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jacobs, Christopher B. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jellison, Gerald Earle [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jang, Gyoung Gug [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Joshi, Pooran C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jung, Hyunsung [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Meyer, III, Harry M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Phelps, Tommy [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-06-30

    The Manufacturing Demonstration Facility (MDF) low temperature materials synthesis project was established to demonstrate a scalable and sustainable process to produce nanoparticles (NPs) for advanced manufacturing. Previous methods to chemically synthesize NPs typically required expensive, high-purity inorganic chemical reagents, organic solvents and high temperatures. These processes were typically applied at small laboratory scales at yields sufficient for NP characterization, but insufficient to support roll-to-roll processing efforts or device fabrication. The new NanoFermentation processes described here operated at a low temperature (~60 C) in low-cost, aqueous media using bacteria that produce extracellular NPs with controlled size and elemental stoichiometry. Up-scaling activities successfully demonstrated high NP yields and quality in a 900-L pilot-scale reactor, establishing this NanoFermentation process as a competitive biomanufacturing strategy to produce NPs for advanced manufacturing of power electronics, solid-state lighting and sensors.

  10. Synthesis of functional materials in combustion reactions

    Energy Technology Data Exchange (ETDEWEB)

    Zhuravlev, V. D., E-mail: zhvd@ihim.uran.ru; Bamburov, V. G.; Ermakova, L. V.; Lobachevskaya, N. I. [Russian Academy of Sciences, Institute of Solid State Chemistry, Ural Branch (Russian Federation)

    2015-12-15

    The conditions for obtaining oxide compounds in combustion reactions of nitrates of metals with organic chelating–reducing agents such as amino acids, urea, and polyvinyl alcohol are reviewed. Changing the nature of internal fuels and the reducing agent-to-oxidizing agent ratio makes possible to modify the thermal regime of the process, fractal dimensionality, morphology, and dispersion of synthesized functional materials. This method can be used to synthesize simple and complex oxides, composites, and metal powders, as well as ceramics and coatings. The possibilities of synthesis in combustion reactions are illustrated by examples of αand γ-Al{sub 2}O{sub 3}, YSZ composites, uranium oxides, nickel powder, NiO and NiO: YSZ composite, TiO{sub 2}, and manganites, cobaltites, and aluminates of rare earth elements.

  11. Multifunctional materials and modeling

    CERN Document Server

    Korepanov, M A; Zaikov, Gennady E; Haghi, A K

    2015-01-01

    This important book presents a valuable collection of new research and new trends in nanomaterials, mesoscopy, quantum chemistry, and chemical physics processes. It highlights the development of nanomaterials as well as investigation of combustion and explosion processes. It highlights new trends in processes and methods of the treatment of polymeric materials and also covers material modification, including super small quantities of metal/carbon nanocomposites as well as new information on the modeling of processes and quantum calculations. Nonlinear kinetic appearances and their applications are highlighted as well. The chapters are divided into three major sections: computational modeling, surface and interface investigations, and nanochemistry, nanomaterials, and nanostructured materials.

  12. Nano materials Synthesis, Applications, and Toxicity 2012

    International Nuclear Information System (INIS)

    Nadagouda, M.N.; Lytle, D.A.; Speth, Th.F.; Dionysiou, D.D.; Mukhopadhyay, Sh.M.

    2013-01-01

    Nano technology presents new opportunities to create better materials and products. Nano materials find wide applications in catalysis, energy production, medicine, environmental remediation, automotive industry, and other sectors of our society. Nano material-containing products are already available globally and include automotive parts, defense application, drug delivery devices, coatings, computers, clothing, cosmetics, sports equipment, and medical devices. This special issue includes emerging advances in the field, with a special emphasis given to nano material synthesis and applications. There is an increasing interest in identifying magnetically separable catalysts for the degradation of wastewater. In this issue, A. Perumal et al. report an investigation of temperature-dependent magnetic properties and photo catalytic activity of CoFe 2 O 4 -Fe 3 O 4 magnetic nano composites (MNCs) synthesized by hydrothermal processes. These MNCs have saturation magnetization of 90 emu/g and coercivity (HC) of 530 Oe. The photo catalytic activity of the MNCs has been examined on the reduction of methyl orange (MO), a colored compound used in dyeing and printing textiles. The MNCs act as an excellent photo catalyst on the degradation of organic contaminants and degrade 93% of MO in 5 hours of UV irradiation. The photo catalytic activity of MNCs is attributed to remarkably high band gap energy and small particle size. Also, the MNCs with reproducible photo catalytic activity are easily separated from water media by applying an external magnetic field and they act as a promising catalyst for the remediation of textile wastewater. Microwaves can play an important role in orchestrating nano materials for a wide range of technological applications

  13. Machine-learned and codified synthesis parameters of oxide materials

    Science.gov (United States)

    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.

  14. In situ studies of solvothermal synthesis of energy materials.

    Science.gov (United States)

    Jensen, Kirsten M Ø; Tyrsted, Christoffer; Bremholm, Martin; Iversen, Bo B

    2014-06-01

    Solvothermal and hydrothermal synthesis, that is, synthesis taking place in a solvent at elevated temperature and pressure, is a powerful technique for the production of advanced energy materials as it is versatile, cheap, and environmentally friendly. However, the fundamental reaction mechanisms dictating particle formation and growth under solvothermal conditions are not well understood. In order to produce tailor-made materials with specific properties for advanced energy technologies, it is essential to obtain an improved understanding of these processes and, in this context, in situ studies are an important tool as they provide real time information on the reactions taking place. Here, we present a review of the use of powder diffraction and total scattering methods for in situ studies of synthesis taking place under solvothermal and hydrothermal conditions. The experimental setups used for in situ X-ray and neutron studies are presented, and methods of data analysis are described. Special attention is given to the methods used to extract structural information from the data, for example, Rietveld refinement, whole powder pattern modelling and pair distribution function analysis. Examples of in situ studies are presented to illustrate the types of chemical insight that can be obtained. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Realistic Material Appearance Modelling

    Czech Academy of Sciences Publication Activity Database

    Haindl, Michal; Filip, Jiří; Hatka, Martin

    2010-01-01

    Roč. 2010, č. 81 (2010), s. 13-14 ISSN 0926-4981 R&D Projects: GA ČR GA102/08/0593 Institutional research plan: CEZ:AV0Z10750506 Keywords : bidirectional texture function * texture modelling Subject RIV: BD - Theory of Information http://library.utia.cas.cz/separaty/2010/RO/haindl-realistic material appearance modelling.pdf

  16. Recent advances in microwave initiated synthesis of nanocarbon materials

    Science.gov (United States)

    Zhang, Xinyu; Liu, Zhen

    2012-01-01

    This Feature Article focuses on the recent advances in synthesis of nanostructured carbon materials using microwave irradiation as the heating source. Although the microwave approach to chemical synthesis is relatively mature in organic synthesis, it is still in the early stage for nanomaterials synthesis, especially nanocarbons. Due to the energy efficient nature of microwave heating, there is a great opportunity to apply microwave irradiation to nanocarbon production, which normally requires high temperature, high vacuum or inert gas protections. Using microwave irradiation will give a green feature to the nanocarbon synthesis, since it offers high efficiency heating and fast carbonization. With our recent discovery, multi-walled carbon nanotubes can be synthesized through the microwave process even in air. Background about nanocarbons and microwave chemistry are introduced, the application of microwaves in synthesis of different types of nanocarbons is discussed and finally, the perspectives in the future research directions of microwave assisted nanocarbon synthesis are deliberated as well.

  17. Use of energetic ion beams in materials synthesis and processing

    International Nuclear Information System (INIS)

    Appleton, B.R.

    1992-01-01

    A brief review of the use energetic ion beams and related techniques for the synthesis, processing, and characterization of materials is presented. Selected opportunity areas are emphasized with examples, and references are provided for more extensive coverage. (author)

  18. Virtual screening of inorganic materials synthesis parameters with deep learning

    Science.gov (United States)

    Kim, Edward; Huang, Kevin; Jegelka, Stefanie; Olivetti, Elsa

    2017-12-01

    Virtual materials screening approaches have proliferated in the past decade, driven by rapid advances in first-principles computational techniques, and machine-learning algorithms. By comparison, computationally driven materials synthesis screening is still in its infancy, and is mired by the challenges of data sparsity and data scarcity: Synthesis routes exist in a sparse, high-dimensional parameter space that is difficult to optimize over directly, and, for some materials of interest, only scarce volumes of literature-reported syntheses are available. In this article, we present a framework for suggesting quantitative synthesis parameters and potential driving factors for synthesis outcomes. We use a variational autoencoder to compress sparse synthesis representations into a lower dimensional space, which is found to improve the performance of machine-learning tasks. To realize this screening framework even in cases where there are few literature data, we devise a novel data augmentation methodology that incorporates literature synthesis data from related materials systems. We apply this variational autoencoder framework to generate potential SrTiO3 synthesis parameter sets, propose driving factors for brookite TiO2 formation, and identify correlations between alkali-ion intercalation and MnO2 polymorph selection.

  19. Synthesis and catalytic applications of combined zeolitic/mesoporous materials

    Directory of Open Access Journals (Sweden)

    Jarian Vernimmen

    2011-11-01

    Full Text Available In the last decade, research concerning nanoporous siliceous materials has been focused on mesoporous materials with intrinsic zeolitic features. These materials are thought to be superior, because they are able to combine (i the enhanced diffusion and accessibility for larger molecules and viscous fluids typical of mesoporous materials with (ii the remarkable stability, catalytic activity and selectivity of zeolites. This review gives an overview of the state of the art concerning combined zeolitic/mesoporous materials. Focus is put on the synthesis and the applications of the combined zeolitic/mesoporous materials. The different synthesis approaches and formation mechanisms leading to these materials are comprehensively discussed and compared. Moreover, Ti-containing nanoporous materials as redox catalysts are discussed to illustrate a potential implementation of combined zeolitic/mesoporous materials.

  20. Thermoelectric materials and methods for synthesis thereof

    Science.gov (United States)

    Ren, Zhifeng; Zhang, Qinyong; Zhang, Qian; Chen, Gang

    2015-08-04

    Materials having improved thermoelectric properties are disclosed. In some embodiments, lead telluride/selenide based materials with improved figure of merit and mechanical properties are disclosed. In some embodiments, the lead telluride/selenide based materials of the present disclosure are p-type thermoelectric materials formed by adding sodium (Na), silicon (Si) or both to thallium doped lead telluride materials. In some embodiments, the lead telluride/selenide based materials are formed by doping lead telluride/selenides with potassium.

  1. Microgravity Production of Nanoparticles of Novel Materials Using Plasma Synthesis

    Science.gov (United States)

    Frenklach, Michael; Fernandez-Pello, Carlos

    2001-01-01

    The research goal is to study the formation in reduced gravity of high quality nanoparticulate of novel materials using plasma synthesis. Particular emphasis will be placed on the production of powders of non-oxide materials like diamond, SiC, SiN, c-BN, etc. The objective of the study is to investigate the effect of gravity on plasma synthesis of these materials, and to determine how the microgravity synthesis can improve the quality and yield of the nanoparticles. It is expected that the reduced gravity will aid in the understanding of the controlling mechanisms of plasma synthesis, and will increase the yield, and quality of the synthesized powder. These materials have properties of interest in several industrial applications, such as high temperature load bearings or high speed metal machining. Furthermore, because of the nano-meter size of the particulate produced in this process, they have specific application in the fabrication of MEMS based combustion systems, and in the development and growth of nano-systems and nano-structures of these materials. These are rapidly advancing research areas, and there is a great need for high quality nanoparticles of different materials. One of the primary systems of interest in the project will be gas-phase synthesis of nanopowder of non-oxide materials.

  2. Sol-Gel Synthesis of Non-Silica Monolithic Materials

    Science.gov (United States)

    Gaweł, Bartłomiej; Gaweł, Kamila; Øye, Gisle

    2010-01-01

    Monolithic materials have become very popular because of various applications, especially within chromatography and catalysis. Large surface areas and multimodal porosities are great advantages for these applications. New sol-gel preparation methods utilizing phase separation or nanocasting have opened the possibility for preparing materials of other oxides than silica. In this review, we present different synthesis methods for inorganic, non-silica monolithic materials. Some examples of application of the materials are also included.

  3. Sol-Gel Synthesis of Non-Silica Monolithic Materials

    Directory of Open Access Journals (Sweden)

    Bartłomiej Gaweł

    2010-04-01

    Full Text Available Monolithic materials have become very popular because of various applications, especially within chromatography and catalysis. Large surface areas and multimodal porosities are great advantages for these applications. New sol-gel preparation methods utilizing phase separation or nanocasting have opened the possibility for preparing materials of other oxides than silica. In this review, we present different synthesis methods for inorganic, non-silica monolithic materials. Some examples of application of the materials are also included.

  4. Recent Advances in the Synthesis of High Explosive Materials

    Directory of Open Access Journals (Sweden)

    Jesse J. Sabatini

    2015-12-01

    Full Text Available This review discusses the recent advances in the syntheses of high explosive energetic materials. Syntheses of some relevant modern primary explosives and secondary high explosives, and the sensitivities and properties of these molecules are provided. In addition to the synthesis of such materials, processing improvement and formulating aspects using these ingredients, where applicable, are discussed in detail.

  5. Materials Analysis and Modeling of Underfill Materials.

    Energy Technology Data Exchange (ETDEWEB)

    Wyatt, Nicholas B [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Chambers, Robert S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-08-01

    The thermal-mechanical properties of three potential underfill candidate materials for PBGA applications are characterized and reported. Two of the materials are a formulations developed at Sandia for underfill applications while the third is a commercial product that utilizes a snap-cure chemistry to drastically reduce cure time. Viscoelastic models were calibrated and fit using the property data collected for one of the Sandia formulated materials. Along with the thermal-mechanical analyses performed, a series of simple bi-material strip tests were conducted to comparatively analyze the relative effects of cure and thermal shrinkage amongst the materials under consideration. Finally, current knowledge gaps as well as questions arising from the present study are identified and a path forward presented.

  6. Material Modelling - Composite Approach

    DEFF Research Database (Denmark)

    Nielsen, Lauge Fuglsang

    1997-01-01

    This report is part of a research project on "Control of Early Age Cracking" - which, in turn, is part of the major research programme, "High Performance Concrete - The Contractor's Technology (HETEK)", coordinated by the Danish Road Directorate, Copenhagen, Denmark, 1997.A composite-rheological ......This report is part of a research project on "Control of Early Age Cracking" - which, in turn, is part of the major research programme, "High Performance Concrete - The Contractor's Technology (HETEK)", coordinated by the Danish Road Directorate, Copenhagen, Denmark, 1997.A composite......-rheological model of concrete is presented by which consistent predictions of creep, relaxation, and internal stresses can be made from known concrete composition, age at loading, and climatic conditions. No other existing "creep prediction method" offers these possibilities in one approach.The model...... in this report is that cement paste and concrete behave practically as linear-viscoelastic materials from an age of approximately 10 hours. This is a significant age extension relative to earlier studies in the literature where linear-viscoelastic behavior is only demonstrated from ages of a few days. Thus...

  7. Cavitational synthesis of nanostructured inorganic materials for enhanced heterogeneous catalysis

    Science.gov (United States)

    Krausz, Ivo Michael

    The synthesis of nanostructured inorganic materials by hydrodynamic cavitation processing was investigated. The goal of this work was to develop a general synthesis technique for nanostructured materials with a control over crystallite size in the 1--20 nm range. Materials with crystallite sizes in this range have shown enhanced catalytic activity compared to materials with larger crystallite sizes. Several supported and unsupported inorganic materials were studied to understand the effects of cavitation on crystallite size. Cavitation processing of calcium fluoride resulted in more spherical particles, attached to one another by melted necks. This work produced the first evidence of shock wave heating of nanostructured materials by hydrodynamic cavitation processing. Hydrodynamic cavitation synthesis of various catalytic support materials indicated that their phase composition and purity could be controlled by adjustment of the processing parameters. Zirconia/alumina supports synthesized using hydro-dynamic cavitation and calcined to 1368 K retained a high purity cubic zirconia phase, whereas classically prepared samples showed a phase transformation to monoclinic zirconia. Similarly, the synthesis of alumina resulted in materials with varying Bohmite and Bayerite contents as a function of the process parameters. High temperature calcination resulted in stable alumina supports with varying amounts of delta-, and theta-alumina. Synthesis studies of palladium and silver showed modest variations in crystallite size as a function of cavitation process parameters. Calcination resulted in larger grain materials, indicating a disappearance of intergrain boundaries. Based on these results, a new synthesis method was studied involving controlled agglomeration of small silver crystallites by hydrodynamic cavitation processing, followed by deposition on alumina. The optimal pH, concentration, and processing time for controlling the silver crystallite size in the cavitation

  8. Sol-Gel Synthesis of Non-Silica Monolithic Materials

    OpenAIRE

    Gawe?, Bart?omiej; Gawe?, Kamila; ?ye, Gisle

    2010-01-01

    Monolithic materials have become very popular because of various applications, especially within chromatography and catalysis. Large surface areas and multimodal porosities are great advantages for these applications. New sol-gel preparation methods utilizing phase separation or nanocasting have opened the possibility for preparing materials of other oxides than silica. In this review, we present different synthesis methods for inorganic, non-silica monolithic materials. Some examples of appl...

  9. Materials-by-design: computation, synthesis, and characterization from atoms to structures

    Science.gov (United States)

    Yeo, Jingjie; Jung, Gang Seob; Martín-Martínez, Francisco J.; Ling, Shengjie; Gu, Grace X.; Qin, Zhao; Buehler, Markus J.

    2018-05-01

    In the 50 years that succeeded Richard Feynman’s exposition of the idea that there is ‘plenty of room at the bottom’ for manipulating individual atoms for the synthesis and manufacturing processing of materials, the materials-by-design paradigm is being developed gradually through synergistic integration of experimental material synthesis and characterization with predictive computational modeling and optimization. This paper reviews how this paradigm creates the possibility to develop materials according to specific, rational designs from the molecular to the macroscopic scale. We discuss promising techniques in experimental small-scale material synthesis and large-scale fabrication methods to manipulate atomistic or macroscale structures, which can be designed by computational modeling. These include recombinant protein technology to produce peptides and proteins with tailored sequences encoded by recombinant DNA, self-assembly processes induced by conformational transition of proteins, additive manufacturing for designing complex structures, and qualitative and quantitative characterization of materials at different length scales. We describe important material characterization techniques using numerous methods of spectroscopy and microscopy. We detail numerous multi-scale computational modeling techniques that complements these experimental techniques: DFT at the atomistic scale; fully atomistic and coarse-grain molecular dynamics at the molecular to mesoscale; continuum modeling at the macroscale. Additionally, we present case studies that utilize experimental and computational approaches in an integrated manner to broaden our understanding of the properties of two-dimensional materials and materials based on silk and silk-elastin-like proteins.

  10. Diagnosis, Synthesis and Analysis of Probabilistic Models

    NARCIS (Netherlands)

    Han, Tingting

    2009-01-01

    This dissertation considers three important aspects of model checking Markov models: diagnosis — generating counterexamples, synthesis — providing valid parameter values and analysis — verifying linear real-time properties. The three aspects are relatively independent while all contribute to

  11. Synthesis and characterization of mesoporous Si-MCM-41 materials ...

    Indian Academy of Sciences (India)

    Administrator

    good thermal stability, high surface area as well as retention of surface area at high temperature. ... 4 ion exchange and subsequent thermal decompo- .... ing rate of 2 °C/min. The final material obtained was used for all further studies. 2.2c Synthesis of Al-MCM-41: In the present synthetic endeavour the objective is to ...

  12. Synthesis of functional materials by radiation

    Energy Technology Data Exchange (ETDEWEB)

    Nho, Young Chang; Kim, Ki Yup; Kang, Phil Hyun and others

    2000-04-01

    The radiation can induce chemical reaction to modify polymer under even the solid condition or in the low temperature. Therefore, the radiation processing is used as the means to develop the high functional polymer and new material which is impossible by chemical process. The radiation grafting process has the advantage to endow the adsorption function to the existing materials such as polymer membrane, fabric, non-fabric, non-woven fabric and film. Radiation crosslinking is effected with no pressure and is performed at low temperatures. Thus, temperature sensitive additives can be used in radiation crosslinking. The radiation crosslinking and grafting can be easily adjusted and is easily reproducible by controlling the radiation dose. The finished product contains no residuals of substances required to initiate the chemical crosslinking and grafting which can restrict the application possibilities, or can increase the failure rate. In these studies, radiation grafting and crosslinking were used to develop the toxic gas adsorbent, blood compatible polymer, acetabular cup of artificial joint, urokinase adsorbent, hydrogel, hollow fiber membrane adsorbing the heavy metals, and battery separator membrane. Because cable in nuclear power plant is directly related to safe operation, the life assessment of the cable system is an important issue. To assess the degradation and life time of cable is complicated owing to the various types and the different formulation of cable. In order to make an estimate the long term degradation occurring in a material, it is necessary to carry out the accelerated aging studies and to establish the appropriate test method to characterize the degradation. These studies are aimed at the evaluation technique on radiation degradation of polymer material and applying these results to nuclear equipment qualification.

  13. Synthesis of functional materials by radiation

    International Nuclear Information System (INIS)

    Nho, Young Chang; Kim, Ki Yup; Kang, Phil Hyun and others

    2000-04-01

    The radiation can induce chemical reaction to modify polymer under even the solid condition or in the low temperature. Therefore, the radiation processing is used as the means to develop the high functional polymer and new material which is impossible by chemical process. The radiation grafting process has the advantage to endow the adsorption function to the existing materials such as polymer membrane, fabric, non-fabric, non-woven fabric and film. Radiation crosslinking is effected with no pressure and is performed at low temperatures. Thus, temperature sensitive additives can be used in radiation crosslinking. The radiation crosslinking and grafting can be easily adjusted and is easily reproducible by controlling the radiation dose. The finished product contains no residuals of substances required to initiate the chemical crosslinking and grafting which can restrict the application possibilities, or can increase the failure rate. In these studies, radiation grafting and crosslinking were used to develop the toxic gas adsorbent, blood compatible polymer, acetabular cup of artificial joint, urokinase adsorbent, hydrogel, hollow fiber membrane adsorbing the heavy metals, and battery separator membrane. Because cable in nuclear power plant is directly related to safe operation, the life assessment of the cable system is an important issue. To assess the degradation and life time of cable is complicated owing to the various types and the different formulation of cable. In order to make an estimate the long term degradation occurring in a material, it is necessary to carry out the accelerated aging studies and to establish the appropriate test method to characterize the degradation. These studies are aimed at the evaluation technique on radiation degradation of polymer material and applying these results to nuclear equipment qualification

  14. Synthesis and characterization of low-dimensional molecular magnetic materials

    Science.gov (United States)

    Liu, Chen

    This dissertation presents experimental results from the synthesis and structural, magnetic characterization of representative low-dimensional molecule-based magnetic materials. Most of the materials reported in this dissertation, both coordination polymers and cuprate, are obtained as the result of synthesizing and characterizing spin ladder systems; except the material studied in Chapter 2, ferricenyl(III)trisferrocenyl(II)borate, which is not related to the spin ladder project. The interest in spin ladder systems is due to the discovery of high-temperature superconductivity in doped cuprates possessing ladder-like structures, and it is hoped that investigation of the magnetic behavior of ladder-like structures will help us understand the mechanism of high-temperature superconductivity. Chapter 1 reviews fundamental knowledge of molecular magnetism, general synthetic strategies for low-dimensional coordination polymers, and a brief introduction to the current status of research on spin ladder systems. Chapter 2 presents a modified synthetic procedure of a previously known monomeric complex, ferricenyl(III)trisferrocenyl(II)borate, 1. Its magnetic properties were characterized and previous results have been disproved. Chapter 3 investigates the magnetism of [CuCl2(CH3CN)] 2, 2, a cuprate whose structure consists of isolated noninterpenetrating ladders formed by the stacking of Cu(II) dimers. This material presents an unexpected ferromagnetic interaction both within the dimeric units and between the dimers, and this behavior has been rationalized based on the effect of its terminal nonbridging ligands. In Chapter 4, the synthesis and magnetism of two ladder-like coordination polymers, [Co(NO3)2(4,4'-bipyridine) 1.5(MeCN)]n, 3, and Ni2(2,6-pyridinedicarboxylic acid)2(H2O)4(pyrazine), 4, are reported. Compound 3 possesses a covalent one-dimensional ladder structure in which Co(II) ions are bridged through bipyridine molecules. Compared to the materials discussed in

  15. Mechanochemical synthesis of Fe-S materials

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Larsen, R.K.; Lin, R.

    1998-01-01

    Powder mixtures of metallic iron and sulfur have been milled in a high-energy planetary ball mill and the formation of iron sulfides has been studied by x-ray diffraction, Mossbauer spectroscopy, and scanning electron microscopy. For Fe:S ratios of 1:1 and 1:2 the final products are FeS with the ......S with the modified NiAs structure and FeS2 (pyrite), respectively. No other iron sulfides were formed for any of the Fe:S ratios studied. The FeS phase has been tested as an electrode material in lithium batteries....

  16. A thermodynamic limit of solar concentrating materials synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Gomez Camacho, C. [Escuela Superior de Ingenieros, Universidad de Sevilla, Camino de los Descubrimientos, ESI, Sevilla (Spain)

    1999-03-01

    The thermodynamic limit for synthesizing any material, either fuel or chemical, from environmental raw materials and concentrated solar radiation is described. This limit relates, on one hand, three technological relevant items: receiver area, concentration ratio, and solar radiation exposure time for the synthesis reaction; on the other hand, that limit depends only on site characteristics, like standard meteorological and solar data. As far as the limit depends only on local features, it is especially suitable for selecting the material, chemical or fuel, most suitable for a solar concentrating synthesis in a given site; moreover, because the limit does not depend on any particular technology, it provides an objective basis for comparing different technological options, even between different locations. (author)

  17. Aerospace Materials Process Modelling

    Science.gov (United States)

    1988-08-01

    Materials Researchr soc icl - STRASBOUtRG - June 1Qs(, 2 VERMOT DES ROCHES - Conf. " Transferts Tiiermiqiies ails Temp6ratuir’s 6 1 -es Fcole...consid6rer la carapaes comma des meidriaux composites at de la caractdriser an cons~quence au Prix de difficult63 exprimentales. L’Intdr~t de Is ddmarohe...COEFFICIENT DE TRANSFERT NOYAU - ONDUCTIVITC THERMIQUE - HALEUR MASS IQUE INTERFACES - COEFFICIENT DE TRANSFERI METAL-SOLE ET NOULE-SOLE EN SOLIDIFICATION

  18. Controlled synthesis of the tricontinuous mesoporous material IBN-9 and its carbon and platinum derivatives

    KAUST Repository

    Zhao, Yunfeng

    2011-08-23

    Controlled synthesis of mesoporous materials with ultracomplicated pore configurations is of great importance for both fundamental research of nanostructures and the development of novel applications. IBN-9, which is the only tricontinuous mesoporous silica with three sets of interpenetrating three-dimensional channel systems, appears to be an excellent model mesophase for such study. The extensive study of synthesis space diagrams proves mesophase transition among the cylindrical MCM-41, tricontinuous IBN-9 and bicontinuous MCM-48, and also allows a more precise control of phase-pure synthesis. On the other hand, rational design of structure-directing agents offers a possibility to extend the synthesis conditions of IBN-9, as well as tailor its pore size. Moreover, an unprecedented helical structure consisting of twisted 3-fold interwoven mesoporous channels is reported here for the first time. The unique tricontinuous mesostructure of IBN-9 has been well-replicated by other functional materials (e.g., carbon and platinum) via a "hard- templating" synthesis route. The obtained carbon material possesses large surface area (∼1900 m2/g), high pore volume (1.56 cm 3/g), and remarkable gas adsorption capability at both cryogenic temperatures and room temperature. The platinum material has an ordered mesostructure composed of highly oriented nanocrystals. © 2011 American Chemical Society.

  19. Synthesis of material microporous using raw materials alternative as a source of silica and alumina

    International Nuclear Information System (INIS)

    Santos, E.A.; Silva, T.L.

    2014-01-01

    Synthetic zeolites have important properties of a technological viewpoint. Thus, this work aims at the use of natural raw materials such as kaolin waste and wood ash in order to produce these microporous materials. The starting materials were characterized by X-ray diffraction (XRD) and spectroscopy, X-ray fluorescence (XRF); the phases formed as synthesis products were identified by XRD and gravimetric and differential thermal analysis (DTA/TG). Hydrothermal synthesis took place by mixing the raw materials in stoichiometrically calculated batches with NaOH (3M) at 90 °C and time of 6, 20, 24 and 48 hours. The results show the formation of phases of type zeolite A and sodalite, demonstrating the raw materials be an efficient and low cost alternative to producing microporous materials. (author)

  20. SYNTHESIS AND CHARACTERIZATION OF ADVANCED MAGNETIC MATERIALS

    Energy Technology Data Exchange (ETDEWEB)

    Monica Sorescu

    2004-09-22

    The work described in this grant report was focused mainly on the properties of novel magnetic intermetallics. In the first project, we synthesized several 2:17 intermetallic compounds, namely Nd{sub 2}Fe{sub 15}Si{sub 2}, Nd{sub 2}Fe{sub 15}Al{sub 2}, Nd{sub 2}Fe{sub 15}SiAl and Nd{sub 2}Fe{sub 15}SiMn, as well as several 1:12 intermetallic compounds, such as NdFe{sub 10}Si{sub 2}, NdFe{sub 10}Al{sub 2}, NdFe{sub 10}SiAl and NdFe{sub 10}MnAl. In the second project, seven compositions of Nd{sub x}Fe{sub 100-x-y}B{sub y} ribbons were prepared by a melt spinning method with Nd and B content increasing from 7.3 and 3.6 to 11 and 6, respectively. The alloys were annealed under optimized conditions to obtain a composite material consisting of the hard magnetic Nd{sub 2}Fe{sub 14}B and soft magnetic {alpha}-Fe phases, typical of a spring magnet structure. In the third project, intermetallic compounds of the type Zr{sub 1}Cr{sub 1}Fe{sub 1}T{sub 0.8} with T = Al, Co and Fe were subjected to hydrogenation. In the fourth project, we performed three crucial experiments. In the first experiment, we subjected a mixture of Fe{sub 3}O{sub 4} and Fe (80-20 wt %) to mechanochemical activation by high-energy ball milling, for time periods ranging from 0.5 to 14 hours. In the second experiment, we ball-milled Fe{sub 3}O{sub 4}:Co{sup 2+} (x = 0.1) for time intervals between 2.5 and 17.5 hours. Finally, we exposed a mixture of Fe{sub 3}O{sub 4} and Co (80-20 wt %) to mechanochemical activation for time periods ranging from 0.5 to 10 hours. In all cases, the structural and magnetic properties of the systems involved were elucidated by X-ray diffraction (XRD), Moessbauer spectroscopy and hysteresis loop measurements. The four projects resulted in four papers, which were published in Intermetallics, IEEE Transactions on Magnetics, Journal of Materials Science Letters and Materials Chemistry and Physics. The contributions reveal for the first time in literature the effect of

  1. Global nuclear material control model

    International Nuclear Information System (INIS)

    Dreicer, J.S.; Rutherford, D.A.

    1996-01-01

    The nuclear danger can be reduced by a system for global management, protection, control, and accounting as part of a disposition program for special nuclear materials. The development of an international fissile material management and control regime requires conceptual research supported by an analytical and modeling tool that treats the nuclear fuel cycle as a complete system. Such a tool must represent the fundamental data, information, and capabilities of the fuel cycle including an assessment of the global distribution of military and civilian fissile material inventories, a representation of the proliferation pertinent physical processes, and a framework supportive of national or international perspective. They have developed a prototype global nuclear material management and control systems analysis capability, the Global Nuclear Material Control (GNMC) model. The GNMC model establishes the framework for evaluating the global production, disposition, and safeguards and security requirements for fissile nuclear material

  2. Synthesis of Zeolite Materials for Noble Gas Separation

    Energy Technology Data Exchange (ETDEWEB)

    Achey, R. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Rivera, O. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Wellons, M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Hunter, D. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2017-10-02

    Microporous zeolite adsorbent materials are widely used as a medium for separating gases. Adsorbent gas separation systems can run at ambient temperature and require minimal pressure to flow the input gas stream across the adsorbent bed. This allows for low energy consumption relative to other types of separation systems. Specific zeolites also have a high capacity and selectivity for the gases of interest, leading to compact and efficient separation systems. These characteristics are particularly advantageous for the application of signatures detection for non-proliferation, which often requires portable systems with low power draw. Savannah River National Laboratory currently is the leader in using zeolites for noble gas sampling for non-proliferation detection platforms. However, there is a constant customer need for improved sampling capabilities. Development of improved zeolite materials will lead to improved sampling technology. Microwave-assisted and conventional hydrothermal synthesis have been used to make a variety of zeolites tailored for noble gas separation. Materials characterization data collected in this project has been used to help guide the synthesis of improved zeolite materials. Candidate materials have been down-selected based on highest available surface area, maximum overall capacity for gas adsorption and highest selectivity. The creation of improved adsorbent materials initiated in this project will lead to development of more compact, efficient and effective noble gas collectors and concentrators. The work performed in this project will be used as a foundation for funding proposals for further material development as well as possible industrial applications.

  3. Synthesis of highly effective adsorbents from natural raw materials (zeolites)

    International Nuclear Information System (INIS)

    Shopova, N.; Schwieger, W.; Makraduli, M.

    1996-01-01

    Natural raw materials bentonite, silica tuff and diatomaceous earth from Macedonia were used in synthesis of zeolites type A, ZSM-5 and multilayer silicate magadiite-adsorbents. The bentonite was subject to pretreatment with acids (HCl and H 2 SO 4 - 5, 10, 15 and W%) or NaOH, and used in synthesis of zeolite type A having molar ratio of: 2Na 2 O : Al 2 O 3 : 2SiO 2 : 100H 2 O. Silicate tuff was applied (without any pretreatment, in a two stage reaction) in a high temperature synthesis, using butylamine as an organic 'template' component in order to get high silica zeolite type ZSM-5 having molar ratio of: 59.37SiO 2 : Al 2 O 3 : 3.84Na 2 O : 1.90R 2 O : 2025.10H 2 O. Multilayer silicate magadiite MS-H was synthesized from natural raw material diatomaceous earth. The product with a molar ratio of: 8SiO 2 : Na 2 O : 75H 2 O showed the best characteristics. The proposed method of alkaline pretreatment is a new one and it is acceptable from the economy point of view due to low energy consumption. The conclusion shows that the final result of the synthesis was not perfect, i.e. it has 70% of zeolite ZSM-5 and the rest were some amorphous phases. This product is suitable for industrial application in catalytic processes due to the fact that commercial catalyst contain typically 20 to 50% of zeolite type ZSM-5. On the other hand, the magadiite being multilayer silicate with no aluminium inside, is well suited as a carrier due to its ability of intercalation. The experimental results indicate that natural raw materials from Macedonia could be used for synthesis of synthetical silicates with high qualities and acceptable overall costs, specially when alkaline pretreatment is used. 14 refs., 4 tabs., 11 figs

  4. MODELLING OF MATERIAL FLOW SYSTEMS

    OpenAIRE

    PÉTER TELEK

    2012-01-01

    Material flow systems are in generally very complex processes. During design, building and operation of complex systems there are many different problems. If these complex processes can be described in a simple model, the tasks will be clearer, better adaptable and easier solvable. As the material flow systems are very different, so using models is a very important aid to create uniform methods and solutions. This paper shows the details of the application possibilities of modelling in the ma...

  5. Synthesis, Properties and Mineralogy of Important Inorganic Materials

    DEFF Research Database (Denmark)

    Warner, Terence Edwin

    -specialists, who are interested in learning more about how technological ceramic materials and artificial minerals are made. Finally, the author assumes that the reader is familiar with the basic principles and concepts of materials chemistry (or at least has access to such knowledge), such as; thermodynamic......The synthesis of high quality material is an essential step in the process of obtaining meaningful information about the material’s properties, and therefore, is an important link between physics and chemistry. Semiconductors; superconductors; solid-electrolytes; glasses; pigments; dielectric......? This book attempts to address this problem by offering the reader clear and detailed descriptions on how to prepare a selection of fifteen inorganic materials that exhibit important optical, magnetic, electrical and thermal properties; on a laboratory scale. The materials and chemical syntheses have been...

  6. The Synthesis of Two- and Multilayer Functionally Graded Materials

    International Nuclear Information System (INIS)

    Varshalomidze, G.; Oniashvili, G.; Aslamazashvili, Z.; Zakharov, G.

    2008-01-01

    Two- and multilayer functionally graded materials (FGM) are produced via high-temperature self-propagated synthesis (SHS). Their 1 and 2 layers are produced using high-temperature thermo-mechanical treatment (HTTMT). One layer of the FGMs produced by SHS-compacting and tested with an original device is composed of one or two refractory compounds (borides, diborides, carbides), while the other plastic layer is composed of steels, metals or intermetallics. (author)

  7. Nanoporous ionic organic networks: from synthesis to materials applications

    OpenAIRE

    Sun, Jian-Ke; Antonietti, Markus; Yuan, Jiayin

    2016-01-01

    The past decade has witnessed rapid progress in the synthesis of nanoporous organic networks or polymer frameworks for various potential applications. Generally speaking, functionalization of porous networks to add extra properties and enhance materials performance could be achieved either during the pore formation (thus a concurrent approach) or by post-synthetic modification (a sequential approach). Nanoporous organic networks which include ion pairs bound in a covalent manner are of specia...

  8. Si- and Sn-containing SiOCN-based nanocomposites as anode materials for lithium ion batteries. Synthesis, thermodynamic characterization and modeling

    Energy Technology Data Exchange (ETDEWEB)

    Rohrer, Jochen; Albe, Karsten [Technische Univ. Darmstadt (Germany). Materialmodellierung; Vrankovic, Dragoljub; Riedel, Ralf; Graczyk-Zajac, Magdalena [Technische Univ. Darmstadt (Germany). Disperse Feststoffe; Cupid, Damian; Seifert, Hans J. [Karlsruher Institut fuer Technologie, Eggenstein-Leopoldshafen (Germany). IAM - Angewandte Werkstoffphysik

    2017-11-15

    Novel nanocomposites consisting of silicon/tin nanoparticles (n-Si/n-Sn) embedded in silicon carbonitride (SiCN) or silicon oxycarbide (SiOC) ceramic matrices are investigated as possible anode materials for Li-ion batteries. The goal of our study is to exploit the large mass specific capacity of Si/Sn (3 579 mAh g{sup -1}/994 mAh g{sup -1}), while avoiding rapid capacity fading due to the large volume changes of Si/Sn during Li insertion. We show that a large amount (∝30-40 wt.%) of disordered carbon phase is dispersed within the SiOC/SiCN matrix and stabilizes the Si/Sn nanoparticles with respect to extended reversible lithium ion storage. Silicon nanocomposites are prepared by mixing of a polymeric precursor with commercial and ''home-synthesized'' crystalline and amorphous silicon. Tin nanocomposites, in contrast, are prepared using a single precursor approach, which allows the in-situ generation of Sn nanoparticles homogeneously dispersed within the SiOC host. The best electrochemical stability along with capacities of 600 - 700 mAh g{sup -1} is obtained when amorphous/porous silicon is used. Mechanisms contributing to the increase of storage capacity and the cycle stability are clarified by analyzing elemental composition, local solid-state structures, intercalation hosts and Li-ion mobility. Our work is supplemented by first-principles based atomistic modeling and thermochemical measurements.

  9. Radiation synthesis of the nano-scale materials

    International Nuclear Information System (INIS)

    Ni Yonghong; Zhang Zhicheng; Ge Xuewu; Xu Xiangling

    2000-01-01

    Some recent research jobs on fabricating the nano-scale materials via γ-irradiation in our laboratory are simply summarized in this paper. The main contents contain four aspects: (1) the preparation of metal alloy - powders; (2) the fabrication of polymer -metal nano-composites in aqueous solution, micro-emulsion and emulsion systems; (3) the synthesis of metal sulfide nano-particles and (4) the preparation of the ordered nano-structure materials. The corresponding preparation processes are also simply described. (author)

  10. Modelling of buffer material behaviour

    International Nuclear Information System (INIS)

    Boergesson, L.

    1988-12-01

    Some material models of smectite rich buffer material suited for nuclear waste isolation are accounted for in the report. The application of these models in finite element calculations of some scenarios and performance are also shown. The rock shear scenario has been closely studied with comparisons between calculated and measured results. Sensitivity analyses of the effect of changing the density of the clay and the rate of shear have been performed as well as one calculation using a hollow steel cylinder. Material models and finite element calculations of canister settlement, thermomechanical effects and swelling are also accounted for. The report shows the present state of the work to establish material models and calculation tools which can be used at the final design of the repository. (31 illustrations)

  11. MFI-molecular sieve membranes:synthesis, characterization and modelling

    OpenAIRE

    Jareman, Fredrik

    2002-01-01

    This work concerns evaluation by permeation measurements and modeling of thin (<2µm) MFI molecular sieve membranes and, to a smaller extent, synthesis of such materials. The membranes have been synthesized on graded a-alumina microfiltration filters using The seed film method. Scanning electron microscopy and x-ray diffraction were used for characterization in addition to permeation measurements. Mathematical models describing membrane flux for real membranes and defect distributions were ...

  12. Defect-related luminescent materials: synthesis, emission properties and applications.

    Science.gov (United States)

    Zhang, Cuimiao; Lin, Jun

    2012-12-07

    Luminescent materials have found a wide variety of applications, including information displays, lighting, X-ray intensification and scintillation, and so on. Therefore, much effort has been devoted to exploring novel luminescent materials so far. In the past decade, defect-related luminescent materials have inspired intensive research efforts in their own right. This kind of luminescent material can be basically classified into silica-based materials, phosphate systems, metal oxides, BCNO phosphors, and carbon-based materials. These materials combine several favourable attributes of traditional commercially available phosphors, which are stable, efficient, and less toxic, being free of the burdens of intrinsic toxicity or elemental scarcity and the need for stringent, intricate, tedious, costly, or inefficient preparation steps. Defect-related luminescent materials can be produced inexpensively and on a large scale by many approaches, such as sol-gel process, hydro(solvo)thermal reaction, hydrolysis methods, and electrochemical methods. This review article highlights the recent advances in the chemical synthesis and luminescent properties of the defect-related materials, together with their control and tuning, and emission mechanisms (solid state physics). We also speculate on their future and discuss potential developments for their applications in lighting and biomedical fields.

  13. Dinuclear transition metal complexes in carbon nanostructured materials synthesis

    Science.gov (United States)

    Ayuso, J. I.; Hernández, E.; Delgado, E.

    2013-06-01

    Carbon nanomaterials (CNMs) were prepared with two similar techniques using organometallic complexes as catalysts precursors. Chemical vapour deposition (CVD) and pyrolysis with chlorine gas approaches were employed in order to explore the effect of dinuclear transition metal compounds [Fe2(CO)6(μ-S2C6H2X2), (X=OH, Cl)] in synthesis of CNMs. Our to-date results have shown these complexes generate different carbonaceous materials when they are used in bulk, it was also observed that their performances in synthesis differ even though these compounds are analogous. With X=OH complex used in CVD process, metal nanoparticles of ca. 20-50 nm in size and embedded in carbon matrix were obtained. X=C1 complex has been used in pyrolysis experiments and showed an entire volatilisation or no reaction, depending on selected temperature. Furthermore, obtaining of a new tetranuclear iron cluster is presented in this work.

  14. Synthesis and self-assembly of complex hollow materials

    KAUST Repository

    Zeng, Hua Chun

    2011-01-01

    Hollow materials with interiors or voids and pores are a class of lightweight nanostructured matters that promise many future technological applications, and they have received significant research attention in recent years. On the basis of well-known physicochemical phenomena and principles, for example, several solution-based protocols have been developed for the general preparation of these complex materials under mild reaction conditions. This article is thus a short introductory review on the synthetic aspects of this field of development. The synthetic methodologies can be broadly divided into three major categories: (i) template-assisted synthesis, (ii) self-assembly with primary building blocks, and (iii) induced matter relocations. In most cases, both synthesis and self-assembly are involved in the above processes. Further combinations of these methodologies appear to be very important, as they will allow one to prepare functional materials at a higher level of complexity and precision. The synthetic strategies are introduced through some simple case studies with schematic illustrations. Salient features of the methods developed have been summarized, and some urgent issues of this field have also been indicated. © 2011 The Royal Society of Chemistry.

  15. Nanocrystalline functional materials and nanocomposites synthesis through aerosol routes

    Directory of Open Access Journals (Sweden)

    Milošević Olivera B.

    2003-01-01

    Full Text Available This paper represents the results of the design of functional nanocrystalline powders and nanocomposites using chemical reactions in aerosols. The process involves ultrasonic aerosol formation (mist generators with the resonant frequencies of 800 kHz, 1.7 and 2.5 MHz from precursor salt solutions and control over the aerosol decomposition in a high-temperature tubular flow reactor. During decomposition, the aerosol droplets undergo evaporation/drying, precipitation and thermolysis in a single-step process. Consequently, spherical, solid, agglomerate-free submicronic particles are obtained. The particle morphology, revealed as a composite structure consisting of primary crystallites smaller than 20 nm was analysed by several methods (XRD, DSC/DTA, SEM, TEM and discussed in terms of precursor chemistry and process parameters. Following the initial attempts, a more detailed aspect of nanocrystalline particle synthesis was demonstrated for the case of nanocomposites based on ZnO-MeO (MeO=Bi Cr+, suitable for electronic applications, as well as an yttrium-aluminum base complex system, suitable for phosphorus applications. The results imply that parts of the material structure responsible for different functional behaviour appear through in situ aerosol synthesis by processes of intraparticle agglomeration, reaction and sintering in the last synthesis stage.

  16. Aerosol Route Synthesis and Applications of Doped Nanostructured Materials

    Science.gov (United States)

    Sahu, Manoranjan

    Nanotechnology presents an attractive opportunity to address various challenges in air and water purification, energy, and other environment issues. Thus, the development of new nanoscale materials in low-cost scalable synthesis processes is important. Furthermore, the ability to independently manipulate the material properties as well as characterize the material at different steps along the synthesis route will aide in product optimization. In addition, to ensure safe and sustainable development of nanotechnology applications, potential impacts need to be evaluated. In this study, nanomaterial synthesis in a single-step gas phase reactor to continuously produce doped metal oxides was demonstrated. Copper-doped TiO2 nanomaterial properties (composition, size, and crystal phase) were independently controlled based on nanoparticle formation and growth mechanisms dictated by process control parameters. Copper dopant found to significantly affect TiO2 properties such as particle size, crystal phase, stability in the suspension, and absorption spectrum (shift from UV to visible light absorption). The in-situ charge distribution characterization of the synthesized nanomaterials was carried out by integrating a tandem differential mobility analyzer (TDMA) set up with the flame reactor synthesis system. Both singly- and doubly- charged nanoparticles were measured, with the charged fractions dependent on particle mobility and dopant concentration. A theoretical calculation was conducted to evaluate the relative importance of the two charging mechanisms, diffusion and thermo-ionization, in the flame. Nanoparticle exposure characterization was conducted during synthesis as a function of operating condition, product recovery and handling technique, and during maintenance of the reactors. Strategies were then indentified to minimize the exposure risk. The nanoparticle exposure potential varied depending on the operating conditions such as precursor feed rate, working

  17. Hydrothermal Synthesis of Meso-porous Materials using Diatomaceous Earth

    Science.gov (United States)

    Jing, Z.; Kato, S.; Maeda, H.; Ishida, E. H.

    2007-03-01

    In order to sustain the inherent properties of diatomaceous earth (DE), a low-temperature synthesis of mesoporous material from DE was carried out using a hydrothermal processing technique under saturated steam pressure at 200 °C for 12 h. The experimental results showed that the most important strength-producing constituent in the solidified specimens was tobermorite formed by hydrothermal processing, and the addition of slaked lime was favorable to tobermorite formation. At Ca/Si ratio around 0.83 in the starting material, tobermorite appeared to form readily. A high autoclave curing temperature (200 °C), or a longer curing time (12 h) seemed to accelerate the tobermorite formation, thus leading to a higher strength development.

  18. Metal containing mesoporous silica materials: Synthesis, characterization, and applications

    Science.gov (United States)

    Gomez, Sinue

    The work presented here comprises the development of a new route for the incorporation of transition metals (TM = Mn, V, Cr) into the pores of mesoporous silica materials, the characterization, and the applications of the resulting materials. The mesoporous silica material used in this work is of the M41S family, known as MCM-48. The first part of the work is going to be focused on in the incorporation of manganese species. Characterization of the resulting materials will be sub-divided in two major parts: (1) Structural and textural properties and (2) Analysis of the Mn oxidation state, coordination and location in the mesoporous host. The process of incorporation of Mn into the mesoporous materials takes place by using high valence metal precursor anions. Then a mechanism to describe the process of loading the Mn species will be proposed. The method developed makes possible the incorporation of high loadings of transition metals while maintaining the properties of the host material, MCM-48. In the second part of the research the synthesis method developed in the first part is used to incorporate other transition metals such as vanadium and chromium. As in the first part, the nature of the TM species is investigated and their catalytic application in oxidation of styrene is also studied. The materials show good activity towards styrene oxidation with conversions as high as 100%. The catalysts can also be recycled without significant loss of activity. Finally, the last part of the research deals with the incorporation of tin oxide into mesoporous silica. A similar approach to the one used for transition metals was used to load tin in MCM-48, however, discrete tin oxide nanoparticles were formed on the surface of the mesoporous structure rather than inside of the pores. The sensing properties towards reducing gases such as hydrogen of these materials were tested, and the Sn containing mesoporous silica show promising properties for gas sensing applications.

  19. Modelling Hospital Materials Management Processes

    Directory of Open Access Journals (Sweden)

    Raffaele Iannone

    2013-06-01

    integrated and detailed analysis and description model for hospital materials management data and tasks, which is able to tackle information from patient requirements to usage, from replenishment requests to supplying and handling activities. The model takes account of medical risk reduction, traceability and streamlined processes perspectives. Second, the paper translates this information into a business process model and mathematical formalization.The study provides a useful guide to the various relevant technology‐related, management and business issues, laying the foundations of an efficient reengineering of the supply chain to reduce healthcare costs and improve the quality of care.

  20. Synthesis and characterization of new polyamino-cyclodextrin materials.

    Science.gov (United States)

    Lo Meo, Paolo; D'Anna, Francesca; Gruttadauria, Michelangelo; Riela, Serena; Noto, Renato

    2012-01-10

    With the aim of the synthesis of chemically modified cyclodextrins bearing polyamine pendant groups, potentially useful as capping agents for the preparation of nanosized metal systems or as auxiliaries for gene transfection, the reaction between the heptakis-(6-iodo)-(6-deoxy)-β-cyclodextrin and various polyamines has been explored. This synthetic approach allows obtaining materials constituted by mixtures of cyclodextrins, having different degrees of substitution, which were satisfactorily characterized by means of various complementary techniques (ESI-MS, NMR, potentiometric titration). The products obtained were successfully subjected to preliminary tests for their binding abilities towards suitable organic guests and as capping agents for the preparation of stable silver nanoparticles. Copyright © 2011 Elsevier Ltd. All rights reserved.

  1. Photonic band gap materials: design, synthesis, and applications

    International Nuclear Information System (INIS)

    John, S.

    2000-01-01

    Full text: Unlike semiconductors which facilitate the coherent propagation of electrons, photonic band gap (PBG) materials execute their novel functions through the coherent localization of photons. I review and discuss our recent synthesis of a large scale three-dimensional silicon photonic crystal with a complete photonic band gap near 1.5 microns. When a PBG material is doped with impurity atoms which have an electronic transition that lies within the gap, spontaneous emission of light from the atom is inhibited. Inside the gap, the photon forms a bound state to the atom. Outside the gap, radiative dynamics in the colored vacuum is highly non Markovian. I discuss the influence of these memory effects on laser action. When spontaneous emission is absent, the next order radiative effect (resonance dipole dipole interaction between atoms) must be incorporated leading to anomalous nonlinear optical effects which occur at a much lower threshold than in ordinary vacuum. I describe the collective switching of two-level atoms near a photonic band edge, by external laser field, from a passive state to one exhibiting population inversion. This effect is forbidden in ordinary vacuum. However, in the context of a PBG material, this effect may be utilized for an all-optical transistor. Finally, I discuss the prospects for a phase sensitive, single atom quantum memory device, onto which information may be written by an external laser pulse

  2. Tuned apatitic materials: Synthesis, characterization and potential antimicrobial applications

    Science.gov (United States)

    Fierascu, Irina; Fierascu, Radu Claudiu; Somoghi, Raluca; Ion, Rodica Mariana; Moanta, Adriana; Avramescu, Sorin Marius; Damian, Celina Maria; Ditu, Lia Mara

    2018-04-01

    Inorganic antimicrobial materials can be viable for multiple applications (related to its use for new buildings with special requirements related to microbiological loading, such as hospital buildings and for consolidation of cultural heritage constructions); also the use of substituted hydroxyapatites for protection of stone artefacts against environmental factors (acidic rain) and biodeterioration it's an option to no longer use of toxic substances. This paper presents methods of synthesis and characterization of the material from the point of view of the obtained structures and final applications. The materials were characterized in terms of composition and morphology (using X-ray Diffraction, X-ray Fluorescence, Inductively coupled plasma-atomic emission spectrometry, Fourier Transform Infrared Spectroscopy, X-ray Photoelectron Spectroscopy, Surface area and pore size determination). Antimicrobial activity was tested against filamentous fungi strains and pathogenic bacteria strains, using both spot on lawn qualitative method (on agar medium) and serial microdilution quantitative method (in broth medium). Further, it was evaluated the anti-biofilm activity of the tested samples toward the most important microbial strains implicated in biofilm development, using crystal violet stained biofilms microtiter assay, followed by spectrophotometric quantitative evaluation.

  3. Plasma-Based Synthesis of Nanostructured Materials and their Characterization

    Science.gov (United States)

    Chaudhary, Rakesh P.

    The aim of this thesis is to explore the novel cost-effective synthesis technique to develop nanostructured materials and investigate their structural and magnetic properties. Nanomaterials were synthesized by a plasma discharge between desired metal electrodes in the cavitation field of an organic solvent. Multifunctional core-shell magnetic nanoparticles of 3d transition elements (Fe, Ni) and bimetallic (FeNi) were synthesized by varying experimental conditions. The phase, crystallinity and the magnetic properties of the materials synthesized were found to be dependent on experimental reaction parameters such as different solvents, electrodes, the spacing between electrodes, applied voltage, experiment time and high-temperature annealing. Fe and Gd-based nanoparticles were developed for high-performance magnetic resonance imaging (MRI) contrast enhancement. Biocompatible hybrid composite of Fe core - C shell nanoparticles evaluated as negative MRI contrast agents display remarkably high transverse relaxivity (r2) of 70 mM-1S-1 at 7T. In addition to 3d transition magnetic materials, magnetism of multilayer graphene nanosheets with only s and p electrons was investigated to understand and explain the intrinsic origin of ferromagnetism in carbon-based material. Apart from magnetic materials, noble metal Pd nanoparticles were developed using one-step process for hydrogen storage. The role of hydrogen on the dilation of Pd lattice was investigated using the experiment and density functional theory (DFT) studies. This method demonstrates that plasma discharge method using appropriate electrodes and solvents can be used to synthesize desired nanoparticles. This potential emphasizes the importance of adopting this methodology, which offers advantages that include a rapid reaction rate and ability to form very small nanoparticles with narrow size distribution.

  4. Material synthesis and hydrogen storage of palladium-rhodium alloy.

    Energy Technology Data Exchange (ETDEWEB)

    Lavernia, Enrique J. (University of California, Davis); Yang, Nancy Y. C.; Ong, Markus D. (Whithworth University, Spokane, WA)

    2011-08-01

    Pd and Pd alloys are candidate material systems for Tr or H storage. We have actively engaged in material synthesis and studied the material science of hydrogen storage for Pd-Rh alloys. In collaboration with UC Davis, we successfully developed/optimized a supersonic gas atomization system, including its processing parameters, for Pd-Rh-based alloy powders. This optimized system and processing enable us to produce {le} 50-{mu}m powders with suitable metallurgical properties for H-storage R&D. In addition, we studied hydrogen absorption-desorption pressure-composition-temperature (PCT) behavior using these gas-atomized Pd-Rh alloy powders. The study shows that the pressure-composition-temperature (PCT) behavior of Pd-Rh alloys is strongly influenced by its metallurgy. The plateau pressure, slope, and H/metal capacity are highly dependent on alloy composition and its chemical distribution. For the gas-atomized Pd-10 wt% Rh, the absorption plateau pressure is relatively high and consistent. However, the absorption-desorption PCT exhibits a significant hysteresis loop that is not seen from the 30-nm nanopowders produced by chemical precipitation. In addition, we observed that the presence of hydrogen introduces strong lattice strain, plastic deformation, and dislocation networking that lead to material hardening, lattice distortions, and volume expansion. The above observations suggest that the H-induced dislocation networking is responsible for the hysteresis loop seen in the current atomized Pd-10 wt% Rh powders. This conclusion is consistent with the hypothesis suggested by Flanagan and others (Ref 1) that plastic deformation or dislocations control the hysteresis loop.

  5. Controller Synthesis using Qualitative Models and Constraints

    OpenAIRE

    Ramamoorthy, Subramanian; Kuipers, Benjamin J

    2004-01-01

    Many engineering systems require the synthesis of global behaviors in nonlinear dynamical systems. Multiple model approaches to control design make it possible to synthesize robust and optimal versions of such global behaviors. We propose a methodology called Qualitative Heterogeneous Control that enables this type of control design. This methodology is based on a separation of concerns between qualitative correctness and quantitative optimization. Qualitative sufficient conditions are derive...

  6. Synthesis of Conductive Polymeric Nanocomposites for Applications in Responsive Materials

    Science.gov (United States)

    Chavez, Jessica

    concentration as well as the extension of the reaction time. The overall interaction between the conductive polymer and the commercial fibers showed that the conductive polymer was physically adsorbed to the commercial fiber. This physical adsorption caused a decrease in conductive efficiency as a function of repeated washes because the weak intermolecular forces between the conductive polymer and the commercial fiber. This led to the synthesis of conductive films and nanofibers by integrating the conductive polymers directly into a cellulose acetate matrix. The voltage efficiency of the conductive films was lower compared to the coated commercial fiber nanocomposites. However, the conductive material generated greater lux values compared to the coated commercial fiber nanocomposites. Theses conductive materials can be applied to applications in both the medical field and water filtration. The conductive films can be used to create a sensor based system that can trigger a sensor to signify when bandages used for wound management need to be changed. The conductive nanofibers can be used in water filtration as a means of electroplating metals ions from contaminated water. Overall, the synthesis of these conductive materials can be applicable for responsive materials.

  7. Synthesis by plasma of polymer-metal materials

    International Nuclear Information System (INIS)

    Fernandez R, G.

    2004-01-01

    The objective of this work is the design of an experimental set-up to synthesize polymer- metal composites by plasma with versatility in the conditions of synthesis. The main components are a vacuum system capable to reach up to 10 -2 mbar and valves and accessories to control the pressure in the system. In order to generate the electrical discharges and the plasma, an electrical circuit with an inductive connection at 13.56 MHz of frequency was constructed. The electric field partially ionizes the reactor atmosphere where the polymer-metal composites were synthesized. The reactor has two metallic electrodes, one in front of the other, where the particles electrically charged collide against the electrodes producing ablation on them. The polymer-metal composites were synthesized by means of an inductive connection at 13.56 MHz. Aniline, 3-chlorine-ethylene and electrodes of silver (Ag) and copper (Cu) were used in a cylindrical reactor coupled with an external coil to generate glow discharges. The average pressures were 6.15 X 10 -1 and 5.2 X 10 -1 mbar for the synthesis of Poly aniline (P An) and Poly chloroethylene (PE-CI), respectively. The synthesis was performed during 60 and 180 minutes for P An and PE-CI, respectively. The polymers were formed, as films, with an average thickness of 6.42 μm for P An and, in the case of PE-CI, with an approximately growing rate of 14 ηm/W. The power in the syntheses was 30, 50, 70 and 90 W for P An and 50, 100, 120, 140 170, and 200 W for PE-CI. The characterization of the polymer-metal composites was done by energy dispersive spectroscopy to study the composition and the relation of the elements involved in the synthesis. The morphology of the films was studied by means of scanning electron microscopy. The infrared analysis (IR) was done to study the chemicals bonds and the structure of these polymers. Another important study in these materials was the behavior of the electrical conductivity (σ), which was complemented

  8. HYPERELASTIC MODELS FOR GRANULAR MATERIALS

    Energy Technology Data Exchange (ETDEWEB)

    Humrickhouse, Paul W; Corradini, Michael L

    2009-01-29

    A continuum framework for modeling of dust mobilization and transport, and the behavior of granular systems in general, has been reviewed, developed and evaluated for reactor design applications. The large quantities of micron-sized particles expected in the international fusion reactor design, ITER, will accumulate into piles and layers on surfaces, which are large relative to the individual particle size; thus, particle-particle, rather than particle-surface, interactions will determine the behavior of the material in bulk, and a continuum approach is necessary and justified in treating the phenomena of interest; e.g., particle resuspension and transport. The various constitutive relations that characterize these solid particle interactions in dense granular flows have been discussed previously, but prior to mobilization their behavior is not even fluid. Even in the absence of adhesive forces between particles, dust or sand piles can exist in static equilibrium under gravity and other forces, e.g., fluid shear. Their behavior is understood to be elastic, though not linear. The recent “granular elasticity” theory proposes a non-linear elastic model based on “Hertz contacts” between particles; the theory identifies the Coulomb yield condition as a requirement for thermodynamic stability, and has successfully reproduced experimental results for stress distributions in sand piles. The granular elasticity theory is developed and implemented in a stand- alone model and then implemented as part of a finite element model, ABAQUS, to determine the stress distributions in dust piles subjected to shear by a fluid flow. We identify yield with the onset of mobilization, and establish, for a given dust pile and flow geometry, the threshold pressure (force) conditions on the surface due to flow required to initiate it. While the granular elasticity theory applies strictly to cohesionless granular materials, attractive forces are clearly important in the interaction of

  9. Synthesis and screening of materials libraries of buried compound semiconductors by ion beam implantation

    OpenAIRE

    Stritzker, Bernd

    2004-01-01

    Synthesis and screening of materials libraries of buried compound semiconductors by ion beam implantation / I. Großhans, H. Karl and B. Stritzker. - In: Combinatorial and artificial intelligence methods in materials science II : symposium held December 1 - 4, 2003, Boston, Massachusetts, USA / ed.: Radislav A. Potyrailo ... - Warrendale, Pa. : Materials Research Society, 2004. - (Materials Research Society symposium proceedings ; 804)

  10. Nanoporous ionic organic networks: from synthesis to materials applications.

    Science.gov (United States)

    Sun, Jian-Ke; Antonietti, Markus; Yuan, Jiayin

    2016-11-21

    The past decade has witnessed rapid progress in the synthesis of nanoporous organic networks or polymer frameworks for various potential applications. Generally speaking, functionalization of porous networks to add extra properties and enhance materials performance could be achieved either during the pore formation (thus a concurrent approach) or by post-synthetic modification (a sequential approach). Nanoporous organic networks which include ion pairs bound in a covalent manner are of special importance and possess extreme application profiles. Within these nanoporous ionic organic networks (NIONs), here with a pore size in the range from sub-1 nm to 100 nm, we observe a synergistic coupling of the electrostatic interaction of charges, the nanoconfinement within pores and the addressable functional units in soft matter resulting in a wide variety of functions and applications, above all catalysis, energy storage and conversion, as well as environment-related operations. This review aims to highlight the recent progress in this area, and seeks to raise original perspectives that will stimulate future advancements at both the fundamental and applied level.

  11. Design, synthesis, and characterization of new materials for thermoelectric applications

    Science.gov (United States)

    Reynolds, Thomas Kent

    Currently, the best known material for thermoelectric refrigeration at room temperature is and alloy of Bi2Te3 and Sb 2Te3. This material has been the basis for room temperature thermoelectric cooling for over 40 years, but its low cooling efficiency (≈10% of Carnot Efficiency) has limited its adaptation to small-market specialty applications. Since Bi2Te3 and its alloys have been studied so extensively, it is doubtful that large improvements in efficiency can be made by further modifications of Bi2Te3 (ie. by changing doping or processing of the material). Therefore, this dissertation deals with the discovery and exploration of completely new systems of compounds. The most important parameter for characterizing the efficiency of a thermoelectric material is the dimensionless quantity ZT, where ZT = S2T/rhokappa. Here, S is the thermopower, T is the temperature, kappa is the thermal conductivity, and rho is the electrical resistivity. These variables are not independent of each other, and usually if one of the values is altered by changing composition or doping, the others change as well. Understanding these parameters in depth leads us to several guidelines for searching for better thermoelectric materials and these are discussed in the dissertation. The concept of obtaining highly symmetric crystal structures and also its relation to increasing the value of ZT is discussed. The synthesis of several new quaternary compounds by starting with highly symmetric tetrahedral anion building blocks is presented. While some of these compounds did in fact have high symmetry structures, none were suitable for further studies because they all had large bandgaps. Further systems we explored include heavy metal telluride compounds and compounds that have multiple ordered anions. These systems were chosen based on the concept of minimizing thermal conductivity. A brief chapter on skutterudite materials explores a few new compounds discovered in this highly researched area. The

  12. Up-Scaled Supercritical Flow Synthesis of Hybrid Materials

    DEFF Research Database (Denmark)

    Hellstern, Henrik Christian; Becker, Jacob; Hald, Peter

    A new, up-scaled supercritical flow synthesis apparatus is currently under construction in Aarhus. A module based system allows for a range of parameter studies with improved parameter control. The dual-reactor setup enables both single phase and core-shell nanoparticle synthesis, and the large...

  13. Synthesis and characterization of inverse spinels, intercalation materials for Li-ion batteries

    NARCIS (Netherlands)

    Van Landschoot, N.

    2006-01-01

    Chapter 2 describes the solid-state synthesis of LiNiVO4 and LiCoVO4. The materials are prepared at 800C and are phase pure, as shown by X-ray diffraction and have the inverse spinel structure. Due to the solid-state synthesis the particle size is quite large and the particle size distribution is

  14. MODELING THE SELF-ASSEMBLY OF ORDERED NANOPOROUS MATERIALS

    Energy Technology Data Exchange (ETDEWEB)

    Monson, Peter [University of Massachusetts; Auerbach, Scott [University of Massachusetts

    2017-11-13

    This report describes progress on a collaborative project on the multiscale modeling of the assembly processes in the synthesis of nanoporous materials. Such materials are of enormous importance in modern technology with application in the chemical process industries, biomedicine and biotechnology as well as microelectronics. The project focuses on two important classes of materials: i) microporous crystalline materials, such as zeolites, and ii) ordered mesoporous materials. In the first case the pores are part of the crystalline structure, while in the second the structures are amorphous on the atomistic length scale but where surfactant templating gives rise to order on the length scale of 2 - 20 nm. We have developed a modeling framework that encompasses both these kinds of materials. Our models focus on the assembly of corner sharing silica tetrahedra in the presence of structure directing agents. We emphasize a balance between sufficient realism in the models and computational tractibility given the complex many-body phenomena. We use both on-lattice and off-lattice models and the primary computational tools are Monte Carlo simulations with sampling techniques and ensembles appropriate to specific situations. Our modeling approach is the first to capture silica polymerization, nanopore crystallization, and mesopore formation through computer-simulated self assembly.

  15. Synthesis, characterization, and properties of low-dimensional nanostructured materials

    Science.gov (United States)

    Hu, Xianluo

    2007-05-01

    Nanometer scale structures represent an exciting and rapidly expanding area of research. Studies on new physical/chemical properties and applications of nanomaterials and nanostructures are possible only when nanostructured materials are made available with desired size, morphology, crystal and microstructure, and composition. Thus, controlled synthesis of nanomaterials is the essential aspect of nanotechnology. This thesis describes the development of simple and versatile solution-based approaches to synthesize low-dimensional nanostructures. The first major goal of this research is to design and fabricate morphology-controlled alpha-Fe 2O3 nanoarchitectures in aqueous solution through a programmed microwave-assisted hydrothermal route, taking advantage of microwave irradiation and hydrothermal effects. Free-standing alpha-Fe2O3 nanorings are prepared by hydrolysis of FeCl3 in the presence of phosphate ions. The as-formed architecture of alpha-Fe2O 3 nanorings is an exciting new member in the family of iron oxide nanostructures. Our preliminary results demonstrate that sensors made of the alpha-Fe 2O3 nanorings exhibit high sensitivity not only for bio-sensing of hydrogen peroxide in a physiological solution but also for gas-sensing of alcohol vapor at room temperature. Moreover, monodisperse alpha-Fe 2O3 nanocrystals with continuous aspect-ratio tuning and fine shape control are achieved by controlling the experimental conditions. The as-formed alpha-Fe2O3 exhibits shape-dependent infrared optical properties. The growth process of colloidal alpha-Fe 2O3 crystals in the presence of phosphate ions is discussed. In addition, through an efficient microwave-assisted hydrothermal process, self-assembled hierarchical alpha-Fe2O3 nanoarchitectures are synthesized on a large scale. The second major goal of this research is to develop convenient microwave-hydrothermal approaches for the fabrication of carbon-based nanocomposites: (1) A one-pot solution-phase route, namely

  16. A bespoke single-band Hubbard model material

    Science.gov (United States)

    Griffin, S. M.; Staar, P.; Schulthess, T. C.; Troyer, M.; Spaldin, N. A.

    2016-02-01

    The Hubbard model, which augments independent-electron band theory with a single parameter to describe electron-electron correlations, is widely regarded to be the "standard model" of condensed-matter physics. The model has been remarkably successful at addressing a range of correlation phenomena in solids, but it neglects many behaviors that occur in real materials, such as phonons, long-range interactions, and, in its simplest form, multiorbital effects. Here, we use ab initio electronic structure methods to design a material whose Hamiltonian matches as closely as possible that of the single-band Hubbard model. Our motivation is to compare the measured properties of our new material to those predicted by reliable theoretical solutions of the Hubbard model to determine the relevance of the model in the description of real materials. After identifying an appropriate crystal class and several appropriate chemistries, we use density-functional theory and dynamical mean-field theory to screen for the desired electronic band structure and metal-insulator transition. We then explore the most promising candidates for structural stability and suitability for doping, and we propose specific materials for subsequent synthesis. Finally, we identify a regime—that should manifest in our bespoke material—in which the single-band Hubbard model on a triangular lattice exhibits exotic d -wave superconductivity.

  17. 'Beautiful' unconventional synthesis and processing technologies of superconductors and some other materials.

    Science.gov (United States)

    Badica, Petre; Crisan, Adrian; Aldica, Gheorghe; Endo, Kazuhiro; Borodianska, Hanna; Togano, Kazumasa; Awaji, Satoshi; Watanabe, Kazuo; Sakka, Yoshio; Vasylkiv, Oleg

    2011-02-01

    Superconducting materials have contributed significantly to the development of modern materials science and engineering. Specific technological solutions for their synthesis and processing helped in understanding the principles and approaches to the design, fabrication and application of many other materials. In this review, we explore the bidirectional relationship between the general and particular synthesis concepts. The analysis is mostly based on our studies where some unconventional technologies were applied to different superconductors and some other materials. These technologies include spray-frozen freeze-drying, fast pyrolysis, field-assisted sintering (or spark plasma sintering), nanoblasting, processing in high magnetic fields, methods of control of supersaturation and migration during film growth, and mechanical treatments of composite wires. The analysis provides future research directions and some key elements to define the concept of 'beautiful' technology in materials science. It also reconfirms the key position and importance of superconductors in the development of new materials and unconventional synthesis approaches.

  18. 'Beautiful' unconventional synthesis and processing technologies of superconductors and some other materials

    Directory of Open Access Journals (Sweden)

    Petre Badica, Adrian Crisan, Gheorghe Aldica, Kazuhiro Endo, Hanna Borodianska, Kazumasa Togano, Satoshi Awaji, Kazuo Watanabe, Yoshio Sakka and Oleg Vasylkiv

    2011-01-01

    Full Text Available Superconducting materials have contributed significantly to the development of modern materials science and engineering. Specific technological solutions for their synthesis and processing helped in understanding the principles and approaches to the design, fabrication and application of many other materials. In this review, we explore the bidirectional relationship between the general and particular synthesis concepts. The analysis is mostly based on our studies where some unconventional technologies were applied to different superconductors and some other materials. These technologies include spray-frozen freeze-drying, fast pyrolysis, field-assisted sintering (or spark plasma sintering, nanoblasting, processing in high magnetic fields, methods of control of supersaturation and migration during film growth, and mechanical treatments of composite wires. The analysis provides future research directions and some key elements to define the concept of 'beautiful' technology in materials science. It also reconfirms the key position and importance of superconductors in the development of new materials and unconventional synthesis approaches.

  19. Scalable synthesis and energy applications of defect engineeered nano materials

    Science.gov (United States)

    Karakaya, Mehmet

    Nanomaterials and nanotechnologies have attracted a great deal of attention in a few decades due to their novel physical properties such as, high aspect ratio, surface morphology, impurities, etc. which lead to unique chemical, optical and electronic properties. The awareness of importance of nanomaterials has motivated researchers to develop nanomaterial growth techniques to further control nanostructures properties such as, size, surface morphology, etc. that may alter their fundamental behavior. Carbon nanotubes (CNTs) are one of the most promising materials with their rigidity, strength, elasticity and electric conductivity for future applications. Despite their excellent properties explored by the abundant research works, there is big challenge to introduce them into the macroscopic world for practical applications. This thesis first gives a brief overview of the CNTs, it will then go on mechanical and oil absorption properties of macro-scale CNT assemblies, then following CNT energy storage applications and finally fundamental studies of defect introduced graphene systems. Chapter Two focuses on helically coiled carbon nanotube (HCNT) foams in compression. Similarly to other foams, HCNT foams exhibit preconditioning effects in response to cyclic loading; however, their fundamental deformation mechanisms are unique. Bulk HCNT foams exhibit super-compressibility and recover more than 90% of large compressive strains (up to 80%). When subjected to striker impacts, HCNT foams mitigate impact stresses more effectively compared to other CNT foams comprised of non-helical CNTs (~50% improvement). The unique mechanical properties we revealed demonstrate that the HCNT foams are ideally suited for applications in packaging, impact protection, and vibration mitigation. The third chapter describes a simple method for the scalable synthesis of three-dimensional, elastic, and recyclable multi-walled carbon nanotube (MWCNT) based light weight bucky-aerogels (BAGs) that are

  20. Report on modelling and materials

    CERN Document Server

    EuCARD, Collaboration

    2014-01-01

    The WP8 aims at the design of advanced materials and collimators to allow for higher beam power in state-of-the-art accelerator facilities. Task 8.2 in particular focuses on the research, development, production, characterization and testing of novel materials for advanced thermal management applications primarily devoted to future Phase II Collimators, but having the potential to be applied to a much broader spectrum of applications. A broad variety of materials has been studied, produced and characterized, including metal-diamond composites such as Copper-Diamond, Silver-Diamond, Molybdenum-Diamond as well as Molybdenum-Graphite composites with very promising results. Advanced numerical simulation techniques have been used to study the behaviour of these, as well as more traditional materials under the effect of very intense, highly energetic particle beams. An intensive testing programme is being deployed to verify their behaviour under extreme conditions.

  1. Numerical modelling in material physics

    International Nuclear Information System (INIS)

    Proville, L.

    2004-12-01

    The author first briefly presents his past research activities: investigation of a dislocation sliding in solid solution by molecular dynamics, modelling of metal film growth by phase field and Monte Carlo kinetics, phase field model for surface self-organisation, phase field model for the Al 3 Zr alloy, calculation of anharmonic photons, mobility of bipolarons in superconductors. Then, he more precisely reports the mesoscopic modelling in phase field, and some atomistic modelling (dislocation sliding, Monte Carlo simulation of metal surface growth, anharmonic network optical spectrum modelling)

  2. Learning strategies: a synthesis and conceptual model

    Science.gov (United States)

    Hattie, John A. C.; Donoghue, Gregory M.

    2016-08-01

    The purpose of this article is to explore a model of learning that proposes that various learning strategies are powerful at certain stages in the learning cycle. The model describes three inputs and outcomes (skill, will and thrill), success criteria, three phases of learning (surface, deep and transfer) and an acquiring and consolidation phase within each of the surface and deep phases. A synthesis of 228 meta-analyses led to the identification of the most effective strategies. The results indicate that there is a subset of strategies that are effective, but this effectiveness depends on the phase of the model in which they are implemented. Further, it is best not to run separate sessions on learning strategies but to embed the various strategies within the content of the subject, to be clearer about developing both surface and deep learning, and promoting their associated optimal strategies and to teach the skills of transfer of learning. The article concludes with a discussion of questions raised by the model that need further research.

  3. Atomic scale modelling of materials of the nuclear fuel cycle

    International Nuclear Information System (INIS)

    Bertolus, M.

    2011-10-01

    This document written to obtain the French accreditation to supervise research presents the research I conducted at CEA Cadarache since 1999 on the atomic scale modelling of non-metallic materials involved in the nuclear fuel cycle: host materials for radionuclides from nuclear waste (apatites), fuel (in particular uranium dioxide) and ceramic cladding materials (silicon carbide). These are complex materials at the frontier of modelling capabilities since they contain heavy elements (rare earths or actinides), exhibit complex structures or chemical compositions and/or are subjected to irradiation effects: creation of point defects and fission products, amorphization. The objective of my studies is to bring further insight into the physics and chemistry of the elementary processes involved using atomic scale modelling and its coupling with higher scale models and experimental studies. This work is organised in two parts: on the one hand the development, adaptation and implementation of atomic scale modelling methods and validation of the approximations used; on the other hand the application of these methods to the investigation of nuclear materials under irradiation. This document contains a synthesis of the studies performed, orientations for future research, a detailed resume and a list of publications and communications. (author)

  4. Material Models for the Human Torso Finite Element Model

    Science.gov (United States)

    2018-04-04

    ARL-TR-8338 ● Apr 2018 US Army Research Laboratory Material Models for the Human Torso Finite Element Model by Carolyn E...longer needed. Do not return it to the originator. ARL-TR-8338 ● Apr 2018 US Army Research Laboratory Material Models for the...Weapons and Materials Research Directorate, ARL Approved for public release; distribution is unlimited. ii REPORT

  5. Synthesis and characterization of mesoporous Si-MCM-41 materials ...

    Indian Academy of Sciences (India)

    Administrator

    synthesis of plasticizers, perfumes, fragrance in cosme- tics, flavours in food, diluents in paints and coatings and intermediates in drugs, dye stuffs and fine chemicals. (Otera 2003). The conventional catalyst used in esterifi- cation reactions is sulphuric acid, methanesulfonic acid or p-toluenesulfonic acid that are cited as ...

  6. Investigating the Heavy Metal Adsorption of Mesoporous Silica Materials Prepared by Microwave Synthesis.

    Science.gov (United States)

    Zhu, Wenjie; Wang, Jingxuan; Wu, Di; Li, Xitong; Luo, Yongming; Han, Caiyun; Ma, Wenhui; He, Sufang

    2017-12-01

    Mesoporous silica materials (MSMs) of the MCM-41 type were rapidly synthesized by microwave heating using silica fume as silica source and evaluated as adsorbents for the removal of Cu 2+ , Pb 2+ , and Cd 2+ from aqueous solutions. The effects of microwave heating times on the pore structure of the resulting MSMs were investigated as well as the effects of different acids which were employed to adjust the solution pH during the synthesis. The obtained MCM-41 samples were characterized by nitrogen adsorption-desorption analyses, X-ray powder diffraction, and transmission electron microscopy. The results indicated that microwave heating method can significantly reduce the synthesis time of MCM-41 to 40 min. The MCM-41 prepared using citric acid (c-MCM-41(40)) possessed more ordered hexagonal mesostructure, higher pore volume, and pore diameter. We also explored the ability of c-MCM-41(40) for removing heavy metal ions (Cu 2+ , Pb 2+ , and Cd 2+ ) from aqueous solution and evaluated the influence of pH on its adsorption capacity. In addition, the adsorption isotherms were fitted by Langmuir and Freundlich models, and the adsorption kinetics were assessed using pseudo-first-order and pseudo-second-order models. The intraparticle diffusion model was studied to understand the adsorption process and mechanism. The results confirmed that the as-synthesized adsorbent could efficiently remove the heavy metal ions from aqueous solution at pH range of 5-7. The adsorption isotherms obeyed the Langmuir model, and the maximum adsorption capacities of the adsorbent for Cu 2+ , Pb 2+ , and Cd 2+ were 36.3, 58.5, and 32.3 mg/g, respectively. The kinetic data were well fitted to the pseudo-second-order model, and the results of intraparticle diffusion model showed complex chemical reaction might be involved during adsorption process.

  7. GMI modeling and material optimization

    Czech Academy of Sciences Publication Activity Database

    Kraus, Luděk

    2003-01-01

    Roč. 106, - (2003), s. 187-194 ISSN 0924-4247. [European Magnetic Sensors and Actuators Conference EMSA 2002 /4./. Athény, 03.07.2002-05.07.2002] Institutional research plan: CEZ:AV0Z1010914 Keywords : magnetic field sensors * giant magnetoimpedance * soft magnetic materials Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.422, year: 2003

  8. Fracture model for structured quasibrittle materials

    Science.gov (United States)

    Kurguzov, V. D.; Astapov, N. S.; Astapov, I. S.

    2014-11-01

    We analyze the applicability of a modified Leonov-Panasyuk-Dugdale model to the description of the propagation of a mode I crack in structured materials under plane stress conditions. For quasi-brittle materials, refined formulas of the critical length of the prefracture zone and the critical load containing a structural parameter are proposed. The Kornev model is extended to the case of quasi-ductile materials. Numerical simulation of plastic zones in square plates of a bimetal and a homogeneous material under quasi-static loading is performed. In the numerical model, the equations of deformable solid mechanics are expressed in the Lagrangian formulation, which is the most preferred for large-strain deformations of elastoplastic materials. The results of the numerical experiments are consistent with the results of calculations using the analytical model for the fracture of structured materials.

  9. Integrated modelling in materials and process technology

    DEFF Research Database (Denmark)

    Hattel, Jesper Henri

    2008-01-01

    Integrated modelling of entire process sequences and the subsequent in-service conditions, and multiphysics modelling of the single process steps are areas that increasingly support optimisation of manufactured parts. In the present paper, three different examples of modelling manufacturing...... processes from the viewpoint of combined materials and process modelling are presented: solidification of thin walled ductile cast iron, integrated modelling of spray forming and multiphysics modelling of friction stir welding. The fourth example describes integrated modelling applied to a failure analysis...

  10. Synthesis, Characterization, and Catalytic Ability of U3O8/SiO2 Nocomposite Materials

    Science.gov (United States)

    Green, Fatima

    Applications of uranium oxide nanoparticles as oxidative catalysts is a field uncommonly studied. In the past, little research has been done to study the potential of this material for room temperature, catalytic breakdown of organic pollutants. Due to an increase in the presence of these pollutants in surface water, an effort to study these reactions in aqueous solution has been a high priority. To further enhance the properties of the nanoparticles, synthesis was performed using the sol-gel method. Characterization of the material was carried out using, Fourier transform infrared spectroscopy (FTIR), powder X-ray diffraction, (XRD) and transmission electron microscopy (TEM). This material has proven to be pure, crystalline alpha-phase U3O8 with an average particle size of 27 nm. Based on previous studies, we hypothesized that under ambient conditions our synthesized material will be able to effectively breakdown organic molecules in aqueous solution. Catalytic studies were monitored using titration techniques with oxalic acid as a model system. The decomposition percentages varied based on amounts of nanocomposite used and temperature controls.

  11. Model-to-model interface for multiscale materials modeling

    Energy Technology Data Exchange (ETDEWEB)

    Antonelli, Perry Edward [Iowa State Univ., Ames, IA (United States)

    2017-12-17

    A low-level model-to-model interface is presented that will enable independent models to be linked into an integrated system of models. The interface is based on a standard set of functions that contain appropriate export and import schemas that enable models to be linked with no changes to the models themselves. These ideas are presented in the context of a specific multiscale material problem that couples atomistic-based molecular dynamics calculations to continuum calculations of fluid ow. These simulations will be used to examine the influence of interactions of the fluid with an adjacent solid on the fluid ow. The interface will also be examined by adding it to an already existing modeling code, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and comparing it with our own molecular dynamics code.

  12. "Intelligent" design of molecular materials: Understanding the concepts of design in supramolecular synthesis of network solids

    Science.gov (United States)

    Moulton, Brian D.

    This work endeavors to delineate modern paradigms for crystal engineering, i.e. the design and supramolecular synthesis of functional molecular materials. Paradigms predicated on an understanding of the geometry of polygons and polyhedra are developed. The primary focus is on structural determination by single crystal X-ray crystallography, structural interpretation using a suite of graphical visualization and molecular modeling software, and on the importance of proper graphical representation in the presentation and explanation of crystal structures. A detailed analysis of a selected series of crystal structures is presented. The reduction of these molecular networks to schematic representations that illustrate their fundamental connectivity facilitates the understanding of otherwise complex supramolecular solids. Circuit symbols and Schlafli notation are used to describe the network topologies, which enables networks of different composition and metrics to be easily compared. This reveals that molecular orientations in the crystals and networks are commensurate with networks that can be derived from spherical close packed lattices. The development of a logical design strategy for a new class of materials based on our understanding of the chemical composition and topology of these networks is described. The synthesis and crystal structure of a series of new materials generated by exploitation of this design strategy is presented, in addition to a detailed analysis of the topology of these materials and their relationship to a 'parent' structure. In summary, this dissertation demonstrates that molecular polygons can self-assemble at their vertexes to produce molecular architectures and crystal structures that are consistent with long established geometric dogma. The design strategy represents a potentially broad ranging approach to the design of nanoporous structures from a wide range of chemical components that are based on molecular shape rather than chemical

  13. MPA-11: Materials Synthesis and Integrated Devices; Overview of an Applied Energy Group

    Energy Technology Data Exchange (ETDEWEB)

    Dattelbaum, Andrew Martin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-11-16

    Our mission is to provide innovative and creative chemical synthesis and materials science solutions to solve materials problems across the LANL missions. Our group conducts basic and applied research in areas related to energy security as well as problems relevant to the Weapons Program.

  14. Predictive Mathematical Model for Polyhydroxybutyrate Synthesis in Escherichia coli

    OpenAIRE

    Dixon, Angela

    2011-01-01

    Polyhydroxybutyrate has been studied as a potential biodegradable replacement for petrochemical plastics. Polyhydroxybutyrate synthesis is not native to Escherichia coli, but the genes have successfully been inserted through plasmids. However, polyhydroxybutyrate production needs to be more cost-effective before it can be commercially produced. A mathematical model for polyhydroxybutyrate synthesis was developed to identify genes that could be altered to increase polyhydroxybutyrate productio...

  15. Fundamentals and applications of organic electrochemistry synthesis, materials, devices

    CERN Document Server

    Fuchigami, Toshio; Inagi, Shinsuke

    2014-01-01

    This textbook is an accessible overview of the broad field of organic electrochemistry, covering the fundamentals and applications of contemporary organic electrochemistry.  The book begins with an introduction to the fundamental aspects of electrode electron transfer and methods for the electrochemical measurement of organic molecules. It then goes on to discuss organic electrosynthesis of molecules and macromolecules, including detailed experimental information for the electrochemical synthesis of organic compounds and conducting polymers. Later chapters highlight new methodology for organic electrochemical synthesis, for example electrolysis in ionic liquids, the application to organic electronic devices such as solar cells and LEDs, and examples of commercialized organic electrode processes. Appendices present useful supplementary information including experimental examples of organic electrosynthesis, and tables of physical data (redox potentials of various organic solvents and organic compounds and phy...

  16. Material Strength Models for Vanadium

    Science.gov (United States)

    Pollaine, Stephen

    2005-07-01

    We have preliminary results of measurements of vanadium strength at 600 kb and 1 Mb, at strain rates between 10^7 and 10^8/s. The results are inconsistent with the Steinberg-Guinan [1] model, which is independent of strain rate, but can be made consistent with other models, such as PTW [2]. We show a variety of different strength models and compare them to the data. [1] DJ.Steinberg, S.G.Cochran, and M.W.Buinan, J. Appl. Phys. 51, 1498 (1980). [2] D.L. Preston, D.L.Tonks, and D.C.wallace, J. Appl. Phys. 93, 211 (2003). This work was performed under the auspices of the U.S. Department of Energy by the University of California, Lawrence Livermore National Laboratory under contract No. W-7405-Eng-48.

  17. Synthesis, modification andcharacterization of MWW framework topology materials

    Czech Academy of Sciences Publication Activity Database

    Pawlesa, Justyna; Voláková, Martina; Sommer, L.; Bouzga, A. M.; Stöcker, M.; Čejka, Jiří

    2007-01-01

    Roč. 170, - (2007), s. 610-615 ISSN 0167-2991 R&D Projects: GA ČR GA104/05/0192 Grant - others:Marie Curie Scholarship (XE) MRTN-CT-2004-005503 Institutional research plan: CEZ:AV0Z40400503 Source of funding: R - rámcový projekt EK Keywords : synthesis * modification * MWW framework Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.307, year: 2005

  18. Room-temperature Electrochemical Synthesis of Carbide-derived Carbons and Related Materials

    Energy Technology Data Exchange (ETDEWEB)

    Gogotsi, Yury [Drexel Univ., Philadelphia, PA (United States). Nanomaterials Group. Materials Science and Engineering Dept.

    2015-02-28

    This project addresses room-temperature electrochemical etching as an energy-efficient route to synthesis of 3D nanoporous carbon networks and layered 2D carbons and related structures, as well as provides fundamental understanding of structure and properties of materials produced by this method. Carbide-derived-carbons (CDCs) are a growing class of nanostructured carbon materials with properties that are desirable for many applications, such as electrical energy and gas storage. The structure of these functional materials is tunable by the choice of the starting carbide precursor, synthesis method, and process parameters. Moving from high-temperature synthesis of CDCs through vacuum decomposition above 1400°C and chlorination above 400°C, our studies under the previous DOE BES support led to identification of precursor materials and processing conditions for CDC synthesis at temperatures as low as 200°C, resulting in amorphous and highly reactive porous carbons. We also investigated synthesis of monolithic CDC films from carbide films at 250-1200°C. The results of our early studies provided new insights into CDC formation, led to development of materials for capacitive energy storage, and enabled fundamental understanding of the electrolyte ions confinement in nanoporous carbons.

  19. Microfluidic synthesis of composite cross-gradient materials for investigating cell-biomaterial interactions.

    Science.gov (United States)

    He, Jiankang; Du, Yanan; Guo, Yuqi; Hancock, Matthew J; Wang, Ben; Shin, Hyeongho; Wu, Jinhui; Li, Dichen; Khademhosseini, Ali

    2011-01-01

    Combinatorial material synthesis is a powerful approach for creating composite material libraries for the high-throughput screening of cell-material interactions. Although current combinatorial screening platforms have been tremendously successful in identifying target (termed "hit") materials from composite material libraries, new material synthesis approaches are needed to further optimize the concentrations and blending ratios of the component materials. Here we employed a microfluidic platform to rapidly synthesize composite materials containing cross-gradients of gelatin and chitosan for investigating cell-biomaterial interactions. The microfluidic synthesis of the cross-gradient was optimized experimentally and theoretically to produce quantitatively controllable variations in the concentrations and blending ratios of the two components. The anisotropic chemical compositions of the gelatin/chitosan cross-gradients were characterized by Fourier transform infrared spectrometry and X-ray photoelectron spectrometry. The three-dimensional (3D) porous gelatin/chitosan cross-gradient materials were shown to regulate the cellular morphology and proliferation of smooth muscle cells (SMCs) in a gradient-dependent manner. We envision that our microfluidic cross-gradient platform may accelerate the material development processes involved in a wide range of biomedical applications. © 2010 Wiley Periodicals, Inc.

  20. Coupled transport/hyperelastic model for nastic materials

    Science.gov (United States)

    Homison, Chris; Weiland, Lisa M.

    2006-03-01

    Nastic materials are high energy density active materials that mimic processes used in the plant kingdom to produce large deformations through the conversion of chemical energy. These materials utilize the controlled transport of charge and fluid across a selectively-permeable membrane to achieve bulk deformation in a process referred to in the plant kingdom as nastic movements. The nastic material being developed consists of synthetic membranes containing biological ion pumps, ion channels, and ion exchangers surrounding fluid-filled cavities embedded within a polymer matrix. In this paper the formulation of a biological transport model and its coupling with a hyperelastic finite element model of the polymer matrix is discussed. The transport model includes contributions from ion pumps, ion exchangers, and solvent flux. This work will form the basis for a feedback loop in material synthesis efforts. The goal of these studies is to determine the relative importance of the various parameters associated with both the polymer matrix and the biological transport components.

  1. Fatigue modeling of materials with complex microstructures

    DEFF Research Database (Denmark)

    Qing, Hai; Mishnaevsky, Leon

    2011-01-01

    with the phenomenological model of fatigue damage growth. As a result, the fatigue lifetime of materials with complex structures can be determined as a function of the parameters of their structures. As an example, the fatigue lifetimes of wood modeled as a cellular material with multilayered, fiber reinforced walls were...... determined for different parameters of wood microstructures. In so doing, 3D hierarchical finite element models of softwood, and a computational technique, including the repeating restart and model change procedures, have been employed to model the fatigue response of latewood....

  2. Bio-Based Approaches to Inorganic Material Synthesis (Postprint)

    National Research Council Canada - National Science Library

    Slocik, Joseph M; Stone, Morley O; Naik, Rajesh R

    2007-01-01

    .... Marine sponges create silica spicules also using proteins, termed silicateins. In recent years, our group and others have used biomolecules as templates for the deposition of inorganic materials...

  3. Bio-Based Approaches to Inorganic Material Synthesis (Preprint)

    National Research Council Canada - National Science Library

    Slocik, Joseph M; Stone, Morley O; Naik, Rajesh R

    2007-01-01

    .... Marine sponges create silica spicules also using proteins, termed silicateins. In recent years, our group and others have used biomolecules as templates for the deposition of inorganic materials...

  4. Probabilistic Modeling of Graded Timber Material Properties

    DEFF Research Database (Denmark)

    Faber, M. H.; Köhler, J.; Sørensen, John Dalsgaard

    2004-01-01

    The probabilistic modeling of timber material characteristics is considered with special emphasis to the modeling of the effect of different quality control and selection procedures used as means for quality grading in the production line. It is shown how statistical models may be established on ...

  5. Macroscopic properties of model disordered materials

    International Nuclear Information System (INIS)

    Knackstedt, M.A.; Roberts, A.P.

    1996-01-01

    Disordered materials are ubiquitous in nature and in industry. Soils, sedimentary rocks, wood, bone, polymer composites, foams, catalysts, gels, concretes and ceramics have properties that depend on material structure. Present techniques for predicting properties are limited by the theoretical and computational difficulty of incorporating a realistic description of material structure. A general model for microstructure was recently proposed by Berk [Berk, Phys.Rev.A, 44 5069 (1991)]. The model is based on level cuts of a Gaussian random field with arbitrary spectral density. The freedom in specifying the parameters of the model allows the modeling of physical materials with diverse morphological characteristics. We have shown that the model qualitatively accounts for the principal features of a wider variety of disordered materials including geologic media, membranes, polymer blends, ceramics and foams. Correlation functions are derived for the model microstructure. From this characterisation we derive mechanical and conductive properties of the materials. Excellent agreement with experimentally measured properties of disordered solids is obtained. The agreement provides a strong hint that it is now possible to correlate effective physical properties of porous solids to microstructure. Simple extensions to modelling properties of non-porous multicomponent blends; metal alloys, ceramics, metal/matrix and polymer composites are also discussed

  6. Microwave synthesis of electrode materials for lithium batteries

    Indian Academy of Sciences (India)

    Unknown

    replaced effectively either by a Li–Al alloy (Peled et al. 1983) or by intercalation materials based on carbon. (Kanno et al 1989; Mohri et al 1989; Fong et al 1990). The loss in the voltage due to the Li+ potential in inter- calated carbon compared to Li metal itself is compensated by the use of cathode materials with higher ...

  7. Synthesis and characteristics of composite phase change humidity control materials

    DEFF Research Database (Denmark)

    Qin, Menghao; Chen, Zhi

    2017-01-01

    A new kind of phase change humidity control material (PCHCM) was prepared by using PCM microcapsules and different hygroscopic porous materials. The PCHCM composite can regulate the indoor hygrothermal environment by absorbing or releasing both heat and moisture. The PCM microcapsules were...

  8. Microwave synthesis of electrode materials for lithium batteries

    Indian Academy of Sciences (India)

    A novel microwave method is described for the preparation of electrode materials required for lithium batteries. The method is simple, fast and carried out in most cases with the same starting material as in conventional methods. Good crystallinity has been noted and lower temperatures of reaction has been inferred in ...

  9. Ostrich eggshell as an alternative raw material for hydroxyapatite synthesis

    International Nuclear Information System (INIS)

    Caliman, L.B.; Gouvea, D.

    2011-01-01

    The goal of this study was to investigate the use of ostrich eggshell for hydroxyapatite synthesis, a biomaterial of great medical importance due to its high biocompatibility. The eggshell was used as calcium ions source due its great containing of CaCO3. For its utilization, the eggshell was calcined and the obtained oxide (CaO) was transformed into Ca(OH) 2 . Hydroxyapatite synthesis consisted in a wet precipitation reaction between Ca(OH) 2 and commercial H 3 PO 4 . The X ray Diffraction analysis has shown that the precipitated Hydroxyapatite calcined at 800°C resulted in a bifasic powder of Hydroxyapatite and β-Tricalcium Phosphate, which proves that this precipitated Hydroxyapatite was deficient in calcium. The Infrared Spectroscopy, showed the presence of CO 3 2- ions, result of carrying out the reaction in open atmosphere. By Scanning Electron Microscopy nanometric particles arranged in agglomerates were observed and Specific Surface Area measurement resulted in 11,70 m²/g. Following this procedure, the ostrich eggshell gets a technological profitable reuse also environmentally friendly, being transformed in a new product of high aggregate value. (author)

  10. Synthesis and characterization of a new organic semiconductor material

    International Nuclear Information System (INIS)

    Tiffour, Imane; Dehbi, Abdelkader; Mourad, Abdel-Hamid I.; Belfedal, Abdelkader

    2016-01-01

    The objective of this study is to create an ideal mixture of Acetaminophen/Curcumin leading to a new and improved semiconductor material, by a study of the electrical, thermal and optical properties. This new material will be compared with existing semiconductor technology to discuss its viability within the industry. The electrical properties were investigated using complex impedance spectroscopy and optical properties were studied by means of UV-Vis spectrophotometry. The electric conductivity σ, the dielectric constant ε r , the activation energy E a , the optical transmittance T and the gap energy E g have been investigated in order to characterize our organic material. The electrical conductivity of the material is approximately 10 −5  S/m at room temperature, increasing the temperature causes σ to increase exponentially to approximately 10 −4  S/m. The activation energy obtained for the material is equal to 0.49 ± 0.02 ev. The optical absorption spectra show that the investigating material has absorbance in the visible range with a maximum wavelength (λ max ) 424 nm. From analysis, the absorption spectra it was found the optical band gap equal to 2.6 ± 0.02 eV and 2.46 ± 0.02 eV for the direct and indirect transition, respectively. In general, the study shows that the developed material has characteristics of organic semiconductor material that has a promising future in the field of organic electronics and their potential applications, e.g., photovoltaic cells. - Highlights: • Development of a new organic acetaminophen/Curcumin semiconductor material. • The developed material has characteristics of an organic semiconductor. • It has electrical conductivity comparable to available organic semiconductors. • It has high optical transmittance and low permittivity/dielectric constant.

  11. Synthesis and characterization of a new organic semiconductor material

    Energy Technology Data Exchange (ETDEWEB)

    Tiffour, Imane [Laboratoire de Génie Physique, Département de Physique, Université de Tiaret, Tiaret 14000 (Algeria); Faculté des Sciences et Technologies, Université Mustapha Stambouli, Mascara 29000 (Algeria); Dehbi, Abdelkader [Laboratoire de Génie Physique, Département de Physique, Université de Tiaret, Tiaret 14000 (Algeria); Mourad, Abdel-Hamid I., E-mail: ahmourad@uaeu.ac.ae [Mechanical Engineering Department, Faculty of Engineering, United Arab Emirates University, Al-Ain, P.O. Box 15551 (United Arab Emirates); Belfedal, Abdelkader [Faculté des Sciences et Technologies, Université Mustapha Stambouli, Mascara 29000 (Algeria); LPCMME, Département de Physique, Université d' Oran Es-sénia, 3100 Oran (Algeria)

    2016-08-01

    The objective of this study is to create an ideal mixture of Acetaminophen/Curcumin leading to a new and improved semiconductor material, by a study of the electrical, thermal and optical properties. This new material will be compared with existing semiconductor technology to discuss its viability within the industry. The electrical properties were investigated using complex impedance spectroscopy and optical properties were studied by means of UV-Vis spectrophotometry. The electric conductivity σ, the dielectric constant ε{sub r}, the activation energy E{sub a}, the optical transmittance T and the gap energy E{sub g} have been investigated in order to characterize our organic material. The electrical conductivity of the material is approximately 10{sup −5} S/m at room temperature, increasing the temperature causes σ to increase exponentially to approximately 10{sup −4} S/m. The activation energy obtained for the material is equal to 0.49 ± 0.02 ev. The optical absorption spectra show that the investigating material has absorbance in the visible range with a maximum wavelength (λ{sub max}) 424 nm. From analysis, the absorption spectra it was found the optical band gap equal to 2.6 ± 0.02 eV and 2.46 ± 0.02 eV for the direct and indirect transition, respectively. In general, the study shows that the developed material has characteristics of organic semiconductor material that has a promising future in the field of organic electronics and their potential applications, e.g., photovoltaic cells. - Highlights: • Development of a new organic acetaminophen/Curcumin semiconductor material. • The developed material has characteristics of an organic semiconductor. • It has electrical conductivity comparable to available organic semiconductors. • It has high optical transmittance and low permittivity/dielectric constant.

  12. Comparative Studies of Population Synthesis Models in the ...

    Indian Academy of Sciences (India)

    Comparative Studies of Population Synthesis Models in the Framework of Modified Strömgren Filters ... The study conveys a good agreement of GALEV models with modified Strömgren colours but with poor UV model predictions and observed globular cluster data, while the spectroscopic models perform badly because of ...

  13. A simulation model for material accounting systems

    International Nuclear Information System (INIS)

    Coulter, C.A.; Thomas, K.E.

    1987-01-01

    A general-purpose model that was developed to simulate the operation of a chemical processing facility for nuclear materials has been extended to describe material measurement and accounting procedures as well. The model now provides descriptors for material balance areas, a large class of measurement instrument types and their associated measurement errors for various classes of materials, the measurement instruments themselves with their individual calibration schedules, and material balance closures. Delayed receipt of measurement results (as for off-line analytical chemistry assay), with interim use of a provisional measurement value, can be accurately represented. The simulation model can be used to estimate inventory difference variances for processing areas that do not operate at steady state, to evaluate the timeliness of measurement information, to determine process impacts of measurement requirements, and to evaluate the effectiveness of diversion-detection algorithms. Such information is usually difficult to obtain by other means. Use of the measurement simulation model is illustrated by applying it to estimate inventory difference variances for two material balance area structures of a fictitious nuclear material processing line

  14. Synthesis and Features of Luminescent Bromo- and Iodohectorite Nanoclay Materials

    Directory of Open Access Journals (Sweden)

    Hellen Silva Santos

    2017-11-01

    Full Text Available The smectites represent a versatile class of clay minerals with broad usage in industrial applications, e.g., cosmetics, drug delivery, bioimaging, etc. Synthetic hectorite Na0.7(Mg5.5Li0.3[Si8O20](OH4 is a distinct material from this class due to its low-cost production method that allows to design its structure to match better the applications. In the current work, we have synthesized for the first time ever nanoclay materials based on the hectorite structure but with the hydroxyl groups (OH− replaced by Br− or I−, yielding bromohectorite (Br-Hec and iodohectorite (I-Hec. It was aimed that these materials would be used as phosphors. Thus, OH− replacement was done to avoid luminescence quenching by multiphonon de-excitation. The crystal structure is similar to nanocrystalline fluorohectorite, having the d001 spacing of 14.30 Å and 3 nm crystallite size along the 00l direction. The synthetic materials studied here show strong potential to act as host lattices for optically active species, possessing mesoporous structure with high specific surface area (385 and 363 m2 g−1 for Br-Hec and I-Hec, respectively and good thermal stability up to 800 °C. Both materials also present strong blue-green emission under UV radiation and short persistent luminescence (ca. 5 s. The luminescence features are attributed to Ti3+/TiIV impurities acting as the emitting center in these materials.

  15. Simulating Cellulose Structure, Properties, Thermodynamics, Synthesis, and Deconstruction with Atomistic and Coarse-Grain Models

    Energy Technology Data Exchange (ETDEWEB)

    Crowley, M. F.; Matthews, J.; Beckham, G.; Bomble, Y.; Hynninen, A. P.; Ciesielski, P. F.

    2012-01-01

    Cellulose is still a mysterious polymer in many ways: structure of microfibrils, thermodynamics of synthesis and degradation, and interactions with other plant cell wall components. Our aim is to uncover the details and mechanisms of cellulose digestion and synthesis. We report the details of the structure of cellulose 1-beta under several temperature conditions and report here the results of these studies and connections to experimental measurements and the measurement in-silico the free energy of decrystallization of several morphologies of cellulose. In spatially large modeling, we show the most recent work of mapping atomistic and coarse-grain models into tomographic images of cellulose and extreme coarse-grain modeling of interactions of large cellulase complexes with microfibrils. We discuss the difficulties of modeling cellulose and suggest future work both experimental and theoretical to increase our understanding of cellulose and our ability to use it as a raw material for fuels and materials.

  16. Synthesis of oxynitride materials for solar water splitting: investigations with ambient pressure and high pressure synthesis techniques

    Science.gov (United States)

    Dharmagunawardhane, Hingure Arachchilage Naveen

    Solar water splitting, a photocatalytic process where water is directly split into hydrogen and oxygen using sunlight absorbing semiconductor materials, is one of the most sought after methods to make hydrogen economy a reality. Oxynitrides containing d0 and d10 cations tend to have the appropriate band structure required for solar water splitting. So far, reported efficiencies are not high enough for practical use and synthesizing an oxynitride showing high enough efficiency remains necessary. In this dissertation, we discuss the synthesis of oxynitrides and studying their optical and photocatalytic properties with a particular emphasis on utilizing exploratory high pressure synthesis. High pressure synthesis is an interesting route to synthesize oxynitrides as this can stabilize reactants that tend to decompose at ambient pressure, helping to achieve the intended stoichiometry. For synthesis, we selected candidate compositions from published theoretical studies. Reactions were carried out at pressures around 1-3 GPa and at temperatures up to 1300°C in a multi-anvil large volume press. Phase changes were observed with in situ X-ray scattering. In these experiments, we found that most d0 and d10 cations tend to reduce in the high pressure reaction environment as temperature increases, but Zr4+, Hf4+ , and Ta5+ tend to retain their oxidation state. This information will be helpful in future theoretical studies to accurately predict stable oxynitrides synthesizable at high pressure. We synthesized (GaN)1-x(ZnO)x solid solution in the entire composition range at 1 GPa, 1150°C. The material showed photocatalytic H2 evolution activity even without surface modification with co catalysts, first such observed for this system. The minimum band gap of 2.65 eV and the highest H2 evolution activity of 2.31 mumol/h were observed at x = 0.51. On our initial investigation on the synthesis of gallium oxynitride spinel (Ga3O3N3) at high pressure, we found that the material could

  17. Precursor Mediated Synthesis of Nanostructured Silicas: From Precursor-Surfactant Ion Pairs to Structured Materials

    Directory of Open Access Journals (Sweden)

    Peter Hesemann

    2014-04-01

    Full Text Available The synthesis of nanostructured anionic-surfactant-templated mesoporous silica (AMS recently appeared as a new strategy for the formation of nanostructured silica based materials. This method is based on the use of anionic surfactants together with a co-structure-directing agent (CSDA, mostly a silylated ammonium precursor. The presence of this CSDA is necessary in order to create ionic interactions between template and silica forming phases and to ensure sufficient affinity between the two phases. This synthetic strategy was for the first time applied in view of the synthesis of surface functionalized silica bearing ammonium groups and was then extended on the formation of materials functionalized with anionic carboxylate and bifunctional amine-carboxylate groups. In the field of silica hybrid materials, the “anionic templating” strategy has recently been applied for the synthesis of silica hybrid materials from cationic precursors. Starting from di- or oligosilylated imidazolium and ammonium precursors, only template directed hydrolysis-polycondensation reactions involving complementary anionic surfactants allowed accessing structured ionosilica hybrid materials. The mechanistic particularity of this approach resides in the formation of precursor-surfactant ion pairs in the hydrolysis-polycondensation mixture. This review gives a systematic overview over the various types of materials accessed from this cooperative ionic templating approach and highlights the high potential of this original strategy for the formation of nanostructured silica based materials which appears as a complementary strategy to conventional soft templating approaches.

  18. Thermodynamic and kinetic modelling: creep resistant materials

    DEFF Research Database (Denmark)

    Hald, John; Korcakova, L.; Danielsen, Hilmar Kjartansson

    2008-01-01

    The use of thermodynamic and kinetic modelling of microstructure evolution in materials exposed to high temperatures in power plants is demonstrated with two examples. Precipitate stability in martensitic 9–12%Cr steels is modelled including equilibrium phase stability, growth of Laves phase...

  19. Materials and techniques for model construction

    Science.gov (United States)

    Wigley, D. A.

    1985-01-01

    The problems confronting the designer of models for cryogenic wind tunnel models are discussed with particular reference to the difficulties in obtaining appropriate data on the mechanical and physical properties of candidate materials and their fabrication technologies. The relationship between strength and toughness of alloys is discussed in the context of maximizing both and avoiding the problem of dimensional and microstructural instability. All major classes of materials used in model construction are considered in some detail and in the Appendix selected numerical data is given for the most relevant materials. The stepped-specimen program to investigate stress-induced dimensional changes in alloys is discussed in detail together with interpretation of the initial results. The methods used to bond model components are considered with particular reference to the selection of filler alloys and temperature cycles to avoid microstructural degradation and loss of mechanical properties.

  20. Production of advanced materials by methods of self-propagating high-temperature synthesis

    CERN Document Server

    Tavadze, Giorgi F

    2013-01-01

    This translation from the original Russian book outlines the production of a variety of materials by methods of self-propagating high-temperature synthesis (SHS). The types of materials discussed include: hard, refractory, corrosion and wear-resistant materials, as well as other advanced and speciality materials. The authors address the issue of optimal parameters for SHS reactions occurring during processes involving a preliminary metallothermic reduction stage, and they calculate this using thermodynamic approaches. In order to confirm the effectiveness of this approach, the authors describe experiments focussing on the synthesis of elemental crysalline boron, boron carbides and nitrides. Other parts of this brief include theoretical and experimental results on single-stage production of hard alloys on the basis of titanium and zirconium borides, as well as macrokinetics of degassing and compaciton of SHS-products.This brief is suitable for academics, as well as those working in industrial manufacturing com...

  1. 2009 National inventory of radioactive material and wastes. Synthesis report

    International Nuclear Information System (INIS)

    2009-01-01

    Third edition of the ANDRA's national inventory report on radioactive wastes that are present on the French territory (as recorded until december, 2007). After a brief historical review of the national inventory and the way it is constructed, the report gives the basics on radioactive wastes, their classification, origins and management processes, followed by a general presentation and discussion of the inventory results (radioactive wastes and materials). Results are then detailed for the different activity sectors using radioactive materials (nuclear industry, medical domain, scientific research, conventional industry, Defense...). Information is also given concerning radioactive polluted areas (characterization and site management) and radioactive waste inventories in various foreign countries

  2. Lyotropic liquid crystal directed synthesis of nanostructured materials

    Directory of Open Access Journals (Sweden)

    Cuiqing Wang, Dairong Chen and Xiuling Jiao

    2009-01-01

    Full Text Available This review introduces and summarizes lyotropic liquid crystal (LLC directed syntheses of nanostructured materials consisting of porous nanostructures and zero-dimensional (0-D, one-dimensional (1-D and two-dimensional (2-D nanostructures. After a brief introduction to the liquid crystals, the LLCs used to prepare mesoporous materials are discussed; in particular, recent advances in controlling mesostructures are summarized. The LLC templates directing the syntheses of nanoparticles, nanorods, nanowires and nanoplates are also presented. Finally, future development in this field is discussed.

  3. Synthesis, Properties and Mineralogy of Important Inorganic Materials

    CERN Document Server

    Warner, Terence E

    2010-01-01

    Intended as a textbook for courses involving preparative solid-state chemistry, this book offers clear and detailed descriptions on how to prepare a selection of inorganic materials that exhibit important optical, magnetic and electrical properties, on a laboratory scale. The text covers a wide range of preparative methods and can be read as separate, independent chapters or as a unified coherent body of work. Discussions of various chemical systems reveal how the properties of a material can often be influenced by modifications to the preparative procedure, and vice versa. References to miner

  4. Controllable synthesis and formation mechanism of carbon micro/nano-structural materials

    Science.gov (United States)

    Zhang, Chang'an; Lv, Meijiao; Wang, Xianbao; Li, Jing; Yang, Xuyu; Yang, Jia; Hu, Hao

    2013-10-01

    Three different structures of carbon materials, including carbon spheres, bamboo-like carbon nanotubes and straight carbon nanotubes, were obtained by pyrolysis of iron(II) phthalocyanine with different flow rates of H2 at 1000 °C. The suitable mechanism for formation process of the carbon nanomaterials from spheres to straight nanotubes was suggested. The competing processes between the catalyst forward and the shell growth have been used to explain the formation mechanism of three materials. The controllable synthesis of carbon materials was achieved only by changing the H2 flow rates, and it is important to explore applications of carbon materials with different shapes.

  5. Synthesis of new Schiff bases as materials for the design of ...

    African Journals Online (AJOL)

    Synthesis of new Schiff bases as materials for the design of photovoltaics cells. ... 1H NMR and 13C NMR). The study of UV-Vis imines 3 and 5 in methanol exhibit the phenomenon of π delocalized electrons responsible for the bathochromic effect. Keywords: Aminothiazolinethione; iminomerocyanines; chromophores; ...

  6. Influence of the conditions of a solid-state synthesis anode material ...

    Indian Academy of Sciences (India)

    2018-02-02

    Feb 2, 2018 ... Influence of the conditions of a solid-state synthesis anode material. Li4Ti5O12 on its electrochemical properties of lithium cells. DANUTA OLSZEWSKA. ∗ and ANNA RUTKOWSKA. Faculty of Energy and Fuels, Department of Hydrogen Energy, AGH University of Science and Technology, 30-059. Krakow ...

  7. Exploration of the role of anions in the synthesis of Cr containing mesoporous materials at room temperature

    NARCIS (Netherlands)

    Mahony, L; Wu, C.M.; Kibombo, H.S.; Thiruppathi, E.; Baltrusaitis, Jonas; Rasalingam, S; Koodali, R.T.

    2013-01-01

    Chromium containing mesoporous silica materials were synthesized via a modified Stöber synthesis at room temperature. The chromium ion loading and the effect of counter ion in the synthesis were studied in detail. The mesoporous materials were extensively characterized by powder X-ray diffraction

  8. Hydrothermal synthesis of nanostructured graphene/polyaniline composites as high-capacitance electrode materials for supercapacitors

    OpenAIRE

    Ronghua Wang; Meng Han; Qiannan Zhao; Zonglin Ren; Xiaolong Guo; Chaohe Xu; Ning Hu; Li Lu

    2017-01-01

    As known to all, hydrothermal synthesis is a powerful technique for preparing inorganic and organic materials or composites with different architectures. In this reports, by controlling hydrothermal conditions, nanostructured polyaniline (PANi) in different morphologies were composited with graphene sheets (GNS) and used as electrode materials of supercapacitors. Specifically, ultrathin PANi layers with total thickness of 10?20?nm are uniformly composited with GNS by a two-step hydrothermal-a...

  9. Synthesis of Hafnium-Based Ceramic Materials for Ultra-High Temperature Aerospace Applications

    Science.gov (United States)

    Johnson, Sylvia; Feldman, Jay

    2004-01-01

    This project involved the synthesis of hafnium (Hf)-based ceramic powders and Hf-based precursor solutions that were suitable for preparation of Hf-based ceramics. The Hf-based ceramic materials of interest in this project were hafnium carbide (with nominal composition HE) and hafnium dioxide (HfO2). The materials were prepared at Georgia Institute of Technology and then supplied to research collaborators Dr. Sylvia Johnson and Dr. Jay Feldman) at NASA Ames Research Center.

  10. Microwave assisted synthesis of Magnetically responsive composite materials

    Czech Academy of Sciences Publication Activity Database

    Šafařík, Ivo; Horská, Kateřina; Pospíšková, K.; Maděrová, Zdeňka; Šafaříková, Miroslava

    2013-01-01

    Roč. 49, č. 1 (2013), s. 213-218 ISSN 0018-9464 R&D Projects: GA ČR(CZ) GAP503/11/2263; GA MŠk LH12190 Institutional support: RVO:67179843 Keywords : magnetic materials * magnetic modification * magnetic separation * microwaves Subject RIV: EH - Ecology, Behaviour Impact factor: 1.213, year: 2013

  11. Materials Synthesis Of Barium Hexa ferrite Used Local Natural Resources

    International Nuclear Information System (INIS)

    Ridwan; Sulungbudi, Grace Tj.; Mujamilah

    2003-01-01

    The magnetic materials of barium hexa ferrites, Ba O.6Fe 2 O 3 successfully synthesized by powder metallurgy method used local natural resources from materials waste of steel fabrication (HSM, CRM), waste of polymer fabrication (LK) as well as iron sands (PBA). These waste as well as iron sands were the main resources of iron oxide, Fe 2 O 3 . The barium oxide used in this experiments are from BaCO 3 product of Merck, and BaCO 4 which is commercially available in the market as barite. Phase identification by x-ray diffraction technique show the synthesized magnetic materials are agreed with the available commercial product, (SUMI). The energy product maximum (BH) max measured by vibrating sample magnetometer (VSM) for the samples used HSM-, CRM- and BaCO 3 as basic materials are 1.141 MGOe and 1.136 MGOe while SUMI is 1.142 MGOe. However for the samples made from LK-, PBA- used of BaCO 3 or CRM- with barite, the energy product maximum (BH) max are relatively lower than commercial product

  12. Progress in synthesis and characterization of energy materials. Preface

    OpenAIRE

    Hoeche, T.; Weidenkaff, A.; Terasaki, I.

    2013-01-01

    The looming shortage of natural resources drives the scientific and commercial interest in renewable energies, energy recovery, and power saving. In this context, the development of novel approaches, replacement of toxic and less available resources, and improvement of existing technologies to synthesize suitable materials is pivotal.

  13. Synthesis of Two-Dimensional Materials for Capacitive Energy Storage.

    Science.gov (United States)

    Mendoza-Sánchez, Beatriz; Gogotsi, Yury

    2016-08-01

    The unique properties and great variety of two-dimensional (2D) nanomaterials make them highly attractive for energy storage applications. Here, an insight into the progress made towards the application of 2D nanomaterials for capacitive energy storage is provided. Synthesis methods, and electrochemical performance of various classes of 2D nanomaterials, particularly based on graphene, transition metal oxides, dichalcogenides, and carbides, are presented. The factors that directly influence capacitive performance are discussed throughout the text and include nanosheet composition, morphology and texture, electrode architecture, and device configuration. Recent progress in the fabrication of 2D-nanomaterials-based microsupercapacitors and flexible and free-standing supercapacitors is presented. The main electrode manufacturing techniques with emphasis on scalability and cost-effectiveness are discussed, and include laser scribing, printing, and roll-to-roll manufacture. Various issues that prevent the use of the full energy-storage potential of 2D nanomaterials and how they have been tackled are discussed, and include nanosheet aggregation and the low electrical conductivity of some 2D nanomaterials. Particularly, the design of hybrid and hierarchical 2D and 3D structures based on 2D nanomaterials is presented. Other challenges and opportunities are discussed and include: control of nanosheets size and thickness, chemical and electrochemical instability, and scale-up of electrode films. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Efficient synthesis and sulfonation of ordered mesoporous carbon materials.

    Science.gov (United States)

    Hou, Keke; Zhang, Anfeng; Gu, Lin; Liu, Min; Guo, Xinwen

    2012-07-01

    Ordered mesoporous carbons (OMCs) with hexagonal structure were efficiently synthesized via cooperative self-assembly of phenol/formaldehyde resol and surfactant F127 under acidic aqueous conditions. Induced by HCl, a gel phase mainly containing phenol/formaldehyde resol and F127 was obtained within several hours. X-ray diffraction (XRD), transmission electron microscope (TEM) and nitrogen adsorption isotherms indicated that the synthesized samples possess 2-D hexagonal mesostructure. The influence of the synthesis conditions, including acid concentration and mass ratio of resol to F127, was investigated. When the acid concentration was fixed in the range of 0.6-2.0 M and the mass ratio of resol to F127 in the range of 3.5-4.0, highly ordered mesoporous carbon could be synthesized. The synthesized OMCs could be easily sulfonated in concentrated sulfuric acid at elevated temperature. The results indicate that the mesostructural stability and the content of the surface sulfonic acid (SO(3)H) groups depend mainly on the pyrolysis temperature of the OMCs and the sulfonation temperature, suggesting that the combination of pyrolysis and sulfonation temperature is essential for developing OMCs with high densities of SO(3)H groups. Copyright © 2012 Elsevier Inc. All rights reserved.

  15. Synthesis and Thermodynamic Studies of Physisorptive Energy Storage Materials

    Science.gov (United States)

    Stadie, Nicholas

    Physical adsorption of hydrogen or other chemical fuels on the surface of carbonaceous materials offers a promising avenue for energy storage applications. The addition of a well-chosen sorbent material to a compressed gas tank increases the volumetric energy density of the system while still permitting fast refueling, simplicity of design, complete reversibility, high cyclability, and low overall cost of materials. While physical adsorption is most effective at temperatures below ambient, effective storage technologies are possible at room temperature and modestly high pressure. A volumetric Sieverts apparatus was designed, constructed, and commissioned to accurately measure adsorption uptake at high pressures and an appropriate thermodynamic treatment of the experimental data is presented. In Chapter 1, the problem of energy storage is introduced in the context of hydrogen as an ideal alternative fuel for future mobile vehicle applications, and with methane in mind as a near-term solution. The theory of physical adsorption that is relevant to this work is covered in Chapter 2. In-depth studies of two classes of materials are presented in the final chapters. Chapter 3 presents a study of the dissociative "hydrogen spillover" effect in the context of its viability as a practical hydrogen storage solution at room temperature. Chapters 4-5 deal with zeolite-templated carbon, an extremely high surface-area material which shows promise for hydrogen and methane storage applications. Studies of hydrogen adsorption at high pressure (Chapter 4) and anomalous thermodynamic properties of methane adsorption (Chapter 5) on ZTCs are presented. The concluding chapter discusses the impact of and possible future directions for this work.

  16. Numerical modeling in materials science and engineering

    CERN Document Server

    Rappaz, Michel; Deville, Michel

    2003-01-01

    This book introduces the concepts and methodologies related to the modelling of the complex phenomena occurring in materials processing. After a short reminder of conservation laws and constitutive relationships, the authors introduce the main numerical methods: finite differences, finite volumes and finite elements. These techniques are developed in three main chapters of the book that tackle more specific problems: phase transformation, solid mechanics and fluid flow. The two last chapters treat inverse methods to obtain the boundary conditions or the material properties and stochastic methods for microstructural simulation. This book is intended for undergraduate and graduate students in materials science and engineering, mechanical engineering and physics and for engineering professionals or researchers who want to get acquainted with numerical simulation to model and compute materials processing.

  17. Numerical modeling of materials under extreme conditions

    CERN Document Server

    Brown, Eric

    2014-01-01

    The book presents twelve state of the art contributions in the field of numerical modeling of materials subjected to large strain, high strain rates, large pressure and high stress triaxialities, organized into two sections. The first part is focused on high strain rate-high pressures such as those occurring in impact dynamics and shock compression related phenomena, dealing with material response identification, advanced modeling incorporating microstructure and damage, stress waves propagation in solids and structures response under impact. The latter part is focused on large strain-low strain rates applications such as those occurring in technological material processing, dealing with microstructure and texture evolution, material response at elevated temperatures, structural behavior under large strain and multi axial state of stress.

  18. Foundations of low-temperature plasma enhanced materials synthesis and etching

    Science.gov (United States)

    Oehrlein, Gottlieb S.; Hamaguchi, Satoshi

    2018-02-01

    Low temperature plasma (LTP)-based synthesis of advanced materials has played a transformational role in multiple industries, including the semiconductor industry, liquid crystal displays, coatings and renewable energy. Similarly, the plasma-based transfer of lithographically defined resist patterns into other materials, e.g. silicon, SiO2, Si3N4 and other electronic materials, has led to the production of nanometer scale devices that are the basis of the information technology, microsystems, and many other technologies based on patterned films or substrates. In this article we review the scientific foundations of both LTP-based materials synthesis at low substrate temperature and LTP-based isotropic and directional etching used to transfer lithographically produced resist patterns into underlying materials. We cover the fundamental principles that are the basis of successful application of the LTP techniques to technological uses and provide an understanding of technological factors that may control or limit material synthesis or surface processing with the use of LTP. We precede these sections with a general discussion of plasma surface interactions, the LTP-generated particle fluxes including electrons, ions, radicals, excited neutrals and photons that simultaneously contact and modify surfaces. The surfaces can be in the line of sight of the discharge or hidden from direct interaction for structured substrates. All parts of the article are extensively referenced, which is intended to help the reader study the topics discussed here in more detail.

  19. Timoshenko beam model for chiral materials

    Science.gov (United States)

    Ma, T. Y.; Wang, Y. N.; Yuan, L.; Wang, J. S.; Qin, Q. H.

    2017-12-01

    Natural and artificial chiral materials such as deoxyribonucleic acid (DNA), chromatin fibers, flagellar filaments, chiral nanotubes, and chiral lattice materials widely exist. Due to the chirality of intricately helical or twisted microstructures, such materials hold great promise for use in diverse applications in smart sensors and actuators, force probes in biomedical engineering, structural elements for absorption of microwaves and elastic waves, etc. In this paper, a Timoshenko beam model for chiral materials is developed based on noncentrosymmetric micropolar elasticity theory. The governing equations and boundary conditions for a chiral beam problem are derived using the variational method and Hamilton's principle. The static bending and free vibration problem of a chiral beam are investigated using the proposed model. It is found that chirality can significantly affect the mechanical behavior of beams, making materials more flexible compared with nonchiral counterparts, inducing coupled twisting deformation, relatively larger deflection, and lower natural frequency. This study is helpful not only for understanding the mechanical behavior of chiral materials such as DNA and chromatin fibers and characterizing their mechanical properties, but also for the design of hierarchically structured chiral materials.

  20. Global nuclear material flow/control model

    International Nuclear Information System (INIS)

    Dreicer, J.S.; Rutherford, D.S.; Fasel, P.K.; Riese, J.M.

    1997-01-01

    This is the final report of a two-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The nuclear danger can be reduced by a system for global management, protection, control, and accounting as part of an international regime for nuclear materials. The development of an international fissile material management and control regime requires conceptual research supported by an analytical and modeling tool which treats the nuclear fuel cycle as a complete system. The prototype model developed visually represents the fundamental data, information, and capabilities related to the nuclear fuel cycle in a framework supportive of national or an international perspective. This includes an assessment of the global distribution of military and civilian fissile material inventories, a representation of the proliferation pertinent physical processes, facility specific geographic identification, and the capability to estimate resource requirements for the management and control of nuclear material. The model establishes the foundation for evaluating the global production, disposition, and safeguards and security requirements for fissile nuclear material and supports the development of other pertinent algorithmic capabilities necessary to undertake further global nuclear material related studies

  1. Nano materials for Renewable Energy Storage: Synthesis, Characterization, and Applications

    International Nuclear Information System (INIS)

    Rather, S.U.; Zacharia, R.; Stephan, A.M.; Petrov, L.A.; Nair, J.R.

    2015-01-01

    Nano technology and nano scale materials have been part of human history and in use since centuries. Staining of glass windows hundreds of years ago is one of the examples where people created beautiful works without knowing that they are using nano processing. The beginning of modern era of nano technology dates back to the talk of the Nobel laureate Professor Richard Feynman in There plenty of room at the bottom. Professor Feynman hypothesized that in near future scientists would be able to control and modulate individual molecules and atoms. After a decade, Professor Norio Taniguchi introduced the magical word nano technology. However, in 1981, the introduction of scanning tunnelling microscope enabled the scientists to see the materials in nano scale that propagated the new age of nano technology.

  2. SYNTHESIS of MOLECULE/POLYMER-BASED MAGNETIC MATERIALS

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Joel S. [Univ. of Utah, Salt Lake City, UT (United States)

    2016-02-01

    We have synthesized and characterized several families of organic-based magnets, a new area showing that organic species can exhibit the technologically important property of magnetic ordering. Thin film magnets with ordering temperatures exceeding room temperature have been exceeded. Hence, organic-based magnets represent a new class of materials that exhibit magnetic ordering and do not require energy-intensive metallurgical processing and are based upon Earth-abundant elements.

  3. Synthesis and electrochemical study of Pt-based nanoporous materials

    International Nuclear Information System (INIS)

    Wang Jingpeng; Holt-Hindle, Peter; MacDonald, Duncan; Thomas, Dan F.; Chen Aicheng

    2008-01-01

    In the present work, a variety of Pt-based bimetallic nanostructured materials including nanoporous Pt, Pt-Ru, Pt-Ir, Pt-Pd and Pt-Pb networks have been directly grown on titanium substrates via a facile hydrothermal method. The as-fabricated electrodes were characterized by scanning electron microscopy, energy dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, X-ray diffraction and electrochemical methods. The active surface areas of these nanoporous Pt-based alloy catalysts are increased by over 68 (Pt-Pd), 69 (Pt-Ru) and 113 (Pt-Ir) fold compared to a polycrystalline Pt electrode. All these synthesized nanoporous electrodes exhibit superb electrocatalytic performance towards electrochemical oxidation of methanol and formic acid. Among the five nanoporous Pt-based electrodes, the Pt-Ir shows the highest peak current density at +0.50 V, with 68 times of enhancement compared to the polycrystalline Pt for methanol oxidation, and with 86 times of enhancement in formic acid oxidation; whereas the catalytic activity of the nanoporous Pt-Pb electrode outperforms the other materials in formic acid oxidation at the low potential regions, delivering an enhanced current density by 280-fold compared to the polycrystalline Pt at +0.15 V. The new approach described in this study is suitable for synthesizing a wide range of bi-metallic and tri-metallic nanoporous materials, desirable for electrochemical sensor design and potential application in fuel cells

  4. Synthesis and electrochemical study of Pt-based nanoporous materials

    Energy Technology Data Exchange (ETDEWEB)

    Wang Jingpeng [Department of Chemistry, Lakehead University, Thunder Bay, Ontario P7B 5E1 (Canada); Department of Chemistry, University of Guelph, Guelph, Ontario N1G 2W1 (Canada); Holt-Hindle, Peter; MacDonald, Duncan [Department of Chemistry, Lakehead University, Thunder Bay, Ontario P7B 5E1 (Canada); Thomas, Dan F. [Department of Chemistry, University of Guelph, Guelph, Ontario N1G 2W1 (Canada); Chen Aicheng [Department of Chemistry, Lakehead University, Thunder Bay, Ontario P7B 5E1 (Canada)], E-mail: aicheng.chen@lakeheadu.ca

    2008-10-01

    In the present work, a variety of Pt-based bimetallic nanostructured materials including nanoporous Pt, Pt-Ru, Pt-Ir, Pt-Pd and Pt-Pb networks have been directly grown on titanium substrates via a facile hydrothermal method. The as-fabricated electrodes were characterized by scanning electron microscopy, energy dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, X-ray diffraction and electrochemical methods. The active surface areas of these nanoporous Pt-based alloy catalysts are increased by over 68 (Pt-Pd), 69 (Pt-Ru) and 113 (Pt-Ir) fold compared to a polycrystalline Pt electrode. All these synthesized nanoporous electrodes exhibit superb electrocatalytic performance towards electrochemical oxidation of methanol and formic acid. Among the five nanoporous Pt-based electrodes, the Pt-Ir shows the highest peak current density at +0.50 V, with 68 times of enhancement compared to the polycrystalline Pt for methanol oxidation, and with 86 times of enhancement in formic acid oxidation; whereas the catalytic activity of the nanoporous Pt-Pb electrode outperforms the other materials in formic acid oxidation at the low potential regions, delivering an enhanced current density by 280-fold compared to the polycrystalline Pt at +0.15 V. The new approach described in this study is suitable for synthesizing a wide range of bi-metallic and tri-metallic nanoporous materials, desirable for electrochemical sensor design and potential application in fuel cells.0.

  5. Synthesis and electrochemical study of Pt-based nanoporous materials

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jingpeng [Department of Chemistry, Lakehead University, Thunder Bay, Ontario P7B 5E1 (Canada); Department of Chemistry, University of Guelph, Guelph, Ontario N1G 2W1 (Canada); Holt-Hindle, Peter; MacDonald, Duncan; Chen, Aicheng [Department of Chemistry, Lakehead University, Thunder Bay, Ontario P7B 5E1 (Canada); Thomas, Dan F. [Department of Chemistry, University of Guelph, Guelph, Ontario N1G 2W1 (Canada)

    2008-10-01

    In the present work, a variety of Pt-based bimetallic nanostructured materials including nanoporous Pt, Pt-Ru, Pt-Ir, Pt-Pd and Pt-Pb networks have been directly grown on titanium substrates via a facile hydrothermal method. The as-fabricated electrodes were characterized by scanning electron microscopy, energy dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, X-ray diffraction and electrochemical methods. The active surface areas of these nanoporous Pt-based alloy catalysts are increased by over 68 (Pt-Pd), 69 (Pt-Ru) and 113 (Pt-Ir) fold compared to a polycrystalline Pt electrode. All these synthesized nanoporous electrodes exhibit superb electrocatalytic performance towards electrochemical oxidation of methanol and formic acid. Among the five nanoporous Pt-based electrodes, the Pt-Ir shows the highest peak current density at +0.50 V, with 68 times of enhancement compared to the polycrystalline Pt for methanol oxidation, and with 86 times of enhancement in formic acid oxidation; whereas the catalytic activity of the nanoporous Pt-Pb electrode outperforms the other materials in formic acid oxidation at the low potential regions, delivering an enhanced current density by 280-fold compared to the polycrystalline Pt at +0.15 V. The new approach described in this study is suitable for synthesizing a wide range of bi-metallic and tri-metallic nanoporous materials, desirable for electrochemical sensor design and potential application in fuel cells. (author)

  6. Truly Absorbed Microbial Protein Synthesis, Rumen Bypass Protein, Endogenous Protein, and Total Metabolizable Protein from Starchy and Protein-Rich Raw Materials

    NARCIS (Netherlands)

    Parand, Ehsan; Vakili, Alireza; Mesgaran, Mohsen Danesh; Duinkerken, Van Gert; Yu, Peiqiang

    2015-01-01

    This study was carried out to measure truly absorbed microbial protein synthesis, rumen bypass protein, and endogenous protein loss, as well as total metabolizable protein, from starchy and protein-rich raw feed materials with model comparisons. Predictions by the DVE2010 system as a more

  7. Modeling ready biodegradability of fragrance materials.

    Science.gov (United States)

    Ceriani, Lidia; Papa, Ester; Kovarich, Simona; Boethling, Robert; Gramatica, Paola

    2015-06-01

    In the present study, quantitative structure activity relationships were developed for predicting ready biodegradability of approximately 200 heterogeneous fragrance materials. Two classification methods, classification and regression tree (CART) and k-nearest neighbors (kNN), were applied to perform the modeling. The models were validated with multiple external prediction sets, and the structural applicability domain was verified by the leverage approach. The best models had good sensitivity (internal ≥80%; external ≥68%), specificity (internal ≥80%; external 73%), and overall accuracy (≥75%). Results from the comparison with BIOWIN global models, based on group contribution method, show that specific models developed in the present study perform better in prediction than BIOWIN6, in particular for the correct classification of not readily biodegradable fragrance materials. © 2015 SETAC.

  8. Depth no-synthesis-error model for view synthesis in 3-D video.

    Science.gov (United States)

    Zhao, Yin; Zhu, Ce; Chen, Zhenzhong; Yu, Lu

    2011-08-01

    Currently, 3-D Video targets at the application of disparity-adjustable stereoscopic video, where view synthesis based on depth-image-based rendering (DIBR) is employed to generate virtual views. Distortions in depth information may introduce geometry changes or occlusion variations in the synthesized views. In practice, depth information is stored in 8-bit grayscale format, whereas the disparity range for a visually comfortable stereo pair is usually much less than 256 levels. Thus, several depth levels may correspond to the same integer (or sub-pixel) disparity value in the DIBR-based view synthesis such that some depth distortions may not result in geometry changes in the synthesized view. From this observation, we develop a depth no-synthesis-error (D-NOSE) model to examine the allowable depth distortions in rendering a virtual view without introducing any geometry changes. We further show that the depth distortions prescribed by the proposed D-NOSE profile also do not compromise the occlusion order in view synthesis. Therefore, a virtual view can be synthesized losslessly if depth distortions follow the D-NOSE specified thresholds. Our simulations validate the proposed D-NOSE model in lossless view synthesis and demonstrate the gain with the model in depth coding.

  9. The Synthesis, Characterization and Catalytic Reaction Studies of Monodisperse Platinum Nanoparticles in Mesoporous Oxide Materials

    Energy Technology Data Exchange (ETDEWEB)

    Rioux, Robert M. [Univ. of California, Berkeley, CA (United States)

    2006-01-01

    A catalyst design program was implemented in which Pt nanoparticles, either of monodisperse size and/or shape were synthesized, characterized and studied in a number of hydrocarbon conversion reactions. The novel preparation of these materials enables exquisite control over their physical and chemical properties that could be controlled (and therefore rationally tuned) during synthesis. The ability to synthesize rather than prepare catalysts followed by thorough characterization enable accurate structure-function relationships to be elucidated. This thesis emphasizes all three aspects of catalyst design: synthesis, characterization and reactivity studies. The precise control of metal nanoparticle size, surface structure and composition may enable the development of highly active and selective heterogeneous catalysts.

  10. The synthesis and properties of nanoscale ionic materials

    KAUST Repository

    Rodriguez, Robert Salgado

    2010-02-17

    In this article we discuss the effect of constituents on structure, flow, and thermal properties of nanoscale ionic materials (NIMs). NIMs are a new class of nanohybrids consisting of a nanometer-sized core, a charged corona covalently attached to the core, and an oppositely charged canopy. The hybrid nature of NIMs allows for their properties to be engineered by selectively varying their components. The unique properties associated with these systems can help overcome some of the issues facing the implementation of nanohybrids to various commercial applications, including carbon dioxide capture,water desalinization and as lubricants. Copyright © 2010 John Wiley & Sons, Ltd.

  11. Zeolite materials prepared using silicate waste from template synthesis of ordered mesoporous carbon.

    Science.gov (United States)

    Kim, Yun Kyung; Rajesh, Kizhakke Palleeri; Yu, Jong-Sung

    2013-09-15

    Significant amount of silica waste is generated in the preparation of porous carbon materials using template synthesis. Industrial production of such porous carbon not only creates waste chemicals, but also poses significant environmental concerns and high waste treatment cost. Recycling is proposed as the best solution for tackling such chemical wastes. In this study, etched silica waste released from template synthesis of mesoporous carbon is recycled to produce precious functional microporous zeolite materials. The solid silica template is etched out with NaOH solution to produce silica-free mesoporous carbon. The collected silica waste is recycled to generate zeolites such as LTA and MFI type silica materials. The formation of zeolites is confirmed by FT-IR, XRD, (29)Si NMR, (27)Al NMR, and SEM. This straight forward green chemistry route not only recycles the waste chemicals, but also decreases environmental pollution for better improvement of our living. Copyright © 2013 Elsevier B.V. All rights reserved.

  12. National inventory of radioactive wastes and valorizable materials. Synthesis report

    International Nuclear Information System (INIS)

    2004-01-01

    This national inventory of radioactive wastes is a reference document for professionals and scientists of the nuclear domain and also for any citizen interested in the management of radioactive wastes. It contains: 1 - general introduction; 2 - the radioactive wastes: definition, classification, origin and management; 3 - methodology of the inventory: organization, accounting, prospective, production forecasting, recording of valorizable materials, exhaustiveness, verification tools; 4 - general results: radioactive waste stocks recorded until December 31, 2002, forecasts for the 2003-2020 era, post-2020 prospects: dismantling operations, recording of valorizable materials; 5 - inventory per producer or owner: front-end fuel cycle facilities, power generation nuclear centers, back-end fuel cycle facilities, waste processing or maintenance facilities, civil CEA research centers, non-CEA research centers, medical activities (diagnostics, therapeutics, analyses), various industrial activities (sources fabrication, control, particular devices), military research and experiment centers, storage and disposal facilities; 6 - elements about radioactive polluted sites; 7 - examples of foreign inventories; 8 - conclusion and appendixes. (J.S.)

  13. Materials Selection, Synthesis, and Dielectrical Properties of PVC Nanocomposites

    Directory of Open Access Journals (Sweden)

    Youssef Mobarak

    2013-01-01

    Full Text Available Materials selection process for electrical insulation application was carried out using Cambridge Engineering Selector (CES program. Melt mixing technique was applied to prepare polyvinyl-chloride- (PVC- nanofumed silica and nanomontmorillonite clay composites. Surface analysis and particles dispersibility were examined using scanning electron microscope. Dielectrical properties were assessed using Hipot tester. An experimental work for dielectric loss of the nanocomposite materials has been investigated in a frequency range of 10 Hz–50 kHz. The initial results using CES program showed that microparticles of silica and clay can improve electrical insulation properties and modulus of elasticity of PVC. Nano-montmorillonite clay composites were synthesized and characterized. Experimental analyses displayed that trapping properties of matrix are highly modified by the presence of nanofillers. The nanofumed silica and nanoclay particles were dispersed homogenously in PVC up to 10% wt/wt. Dielectric loss tangent constant of PVC-nanoclay composites was decreased successfully from 0.57 to 0.5 at 100 Hz using fillers loading from 1% to 10% wt/wt, respectively. Nano-fumed silica showed a significant influence on the electrical resistivity of PVC by enhancing it up to 1 × 1011 Ohm·m.

  14. Synthesis, Properties, and Applications of Low-Dimensional Carbon-Related Nano materials

    International Nuclear Information System (INIS)

    Mostofizadeh, A.; Li, Y.; Song, B.; Huang, Y.; Mostofizadeh, A.

    2011-01-01

    In recent years, many theoretical and experimental studies have been carried out to develop one of the most interesting aspects of the science and nano technology which is called carbon-related nano materials. The goal of this paper is to provide a review of some of the most exciting and important developments in the synthesis, properties, and applications of low-dimensional carbon nano materials. Carbon nano materials are formed in various structural features using several different processing methods. The synthesis techniques used to produce specific kinds of low-dimensional carbon nano materials such as zero-dimensional carbon nano materials (including fullerene, carbon-encapsulated metal nanoparticles, nano diamond, and onion-like carbons), one-dimensional carbon nano materials (including carbon nano fibers and carbon nano tubes), and two-dimensional carbon nano materials (including graphene and carbon nano walls) are discussed in this paper. Subsequently, the paper deals with an overview of the properties of the mainly important products as well as some important applications and the future outlooks of these advanced nano materials.

  15. Quality quantification model of basic raw materials

    Directory of Open Access Journals (Sweden)

    Š. Vilamová

    2016-07-01

    Full Text Available Basic raw materials belong to the key input sources in the production of pig iron. The properties of basic raw materials can be evaluated using a variety of criteria. The essential ones include the physical and chemical properties. Current competitive pressures, however, force the producers of iron more and more often to include cost and logistic criteria into the decision-making process. In this area, however, they are facing a problem of how to convert a variety of vastly different parameters into one evaluation indicator in order to compare the available raw materials. This article deals with the analysis of a model created to evaluate the basic raw materials, which was designed as part of the research.

  16. Plasma-enhanced synthesis of green flame retardant cellulosic materials

    Science.gov (United States)

    Totolin, Vladimir

    The natural fiber-containing fabrics and composites are more environmentally friendly, and are used in transportation (automobiles, aerospace), military applications, construction industries (ceiling paneling, partition boards), consumer products, etc. Therefore, the flammability characteristics of the composites based on polymers and natural fibers play an important role. This dissertation presents the development of plasma assisted - green flame retardant coatings for cellulosic substrates. The overall objective of this work was to generate durable flame retardant treatment on cellulosic materials. In the first approach sodium silicate layers were pre-deposited onto clean cotton substrates and cross linked using low pressure, non-equilibrium oxygen plasma. A statistical design of experiments was used to optimize the plasma parameters. The modified cotton samples were tested for flammability using an automatic 45° angle flammability test chamber. Aging tests were conducted to evaluate the coating resistance during the accelerated laundry technique. The samples revealed a high flame retardant behavior and good thermal stability proved by thermo-gravimetric analysis. In the second approach flame retardant cellulosic materials have been produced using a silicon dioxide (SiO2) network coating. SiO 2 network armor was prepared through hydrolysis and condensation of the precursor tetraethyl orthosilicate (TEOS), prior coating the substrates, and was cross linked on the surface of the substrates using atmospheric pressure plasma (APP) technique. Due to protection effects of the SiO2 network armor, the cellulosic based fibers exhibit enhanced thermal properties and improved flame retardancy. In the third approach, the TEOS/APP treatments were extended to linen fabrics. The thermal analysis showed a higher char content and a strong endothermic process of the treated samples compared with control ones, indicating a good thermal stability. Also, the surface analysis proved

  17. Modeling Bamboo as a Functionally Graded Material

    Science.gov (United States)

    Silva, Emílio Carlos Nelli; Walters, Matthew C.; Paulino, Glaucio H.

    2008-02-01

    Natural fibers are promising for engineering applications due to their low cost. They are abundantly available in tropical and subtropical regions of the world, and they can be employed as construction materials. Among natural fibers, bamboo has been widely used for housing construction around the world. Bamboo is an optimized composite material which exploits the concept of Functionally Graded Material (FGM). Biological structures, such as bamboo, are composite materials that have complicated shapes and material distribution inside their domain, and thus the use of numerical methods such as the finite element method and multiscale methods such as homogenization, can help to further understanding of the mechanical behavior of these materials. The objective of this work is to explore techniques such as the finite element method and homogenization to investigate the structural behavior of bamboo. The finite element formulation uses graded finite elements to capture the varying material distribution through the bamboo wall. To observe bamboo behavior under applied loads, simulations are conducted considering a spatially-varying Young's modulus, an averaged Young's modulus, and orthotropic constitutive properties obtained from homogenization theory. The homogenization procedure uses effective, axisymmetric properties estimated from the spatially-varying bamboo composite. Three-dimensional models of bamboo cells were built and simulated under tension, torsion, and bending load cases.

  18. Modelling irradiation effects in fusion materials

    DEFF Research Database (Denmark)

    Victoria, M.; Dudarev, S.; Boutard, J.L.

    2007-01-01

    We review the current status of the European fusion materials modelling programme. We describe recent findings and outline potential areas for future development. Large-scale density functional theory (DFT) calculations reveal the structure of the point defects in α-Fe, and highlight the crucial ....... Experiments aimed at validating the models will be carried out in the future using a multi-beam ion irradiation facility chosen for its versatility and rapid feedback....

  19. Molecular models and simulations of layered materials

    International Nuclear Information System (INIS)

    Kalinichev, Andrey G.; Cygan, Randall Timothy; Heinz, Hendrik; Greathouse, Jeffery A.

    2008-01-01

    The micro- to nano-sized nature of layered materials, particularly characteristic of naturally occurring clay minerals, limits our ability to fully interrogate their atomic dispositions and crystal structures. The low symmetry, multicomponent compositions, defects, and disorder phenomena of clays and related phases necessitate the use of molecular models and modern simulation methods. Computational chemistry tools based on classical force fields and quantum-chemical methods of electronic structure calculations provide a practical approach to evaluate structure and dynamics of the materials on an atomic scale. Combined with classical energy minimization, molecular dynamics, and Monte Carlo techniques, quantum methods provide accurate models of layered materials such as clay minerals, layered double hydroxides, and clay-polymer nanocomposites

  20. Hydrothermal synthesis for new multifunctional materials: A few examples of phosphates and phosphonate-based hybrid materials

    Energy Technology Data Exchange (ETDEWEB)

    Rueff, Jean-Michel, E-mail: jean-michel.rueff@ensicaen.fr [Laboratoire CRISMAT, CNRS UMR 6508, ENSICAEN, 6 bd du Maréchal Juin, F-14050 Caen Cedex (France); Poienar, Maria [National Institute for Research and Development in Electrochemistry and Condensed Matter, Plautius Andronescu Str Nr. 1, 300224 Timisoara (Romania); Guesdon, Anne; Martin, Christine; Maignan, Antoine [Laboratoire CRISMAT, CNRS UMR 6508, ENSICAEN, 6 bd du Maréchal Juin, F-14050 Caen Cedex (France); Jaffrès, Paul-Alain [Université de Brest, Université Européenne de Bretagne, CNRS UMR 6521, CEMCA, SFR 148 ScInBios, 6 Avenue Victor Le Gorgeu, 29238 Brest (France)

    2016-04-15

    Novel physical or chemical properties are expected in a great variety of materials, in connection with the dimensionality of their structures and/or with their nanostructures, hierarchical superstructures etc. In the search of new advanced materials, the hydrothermal technique plays a crucial role, mimicking the nature able to produce fractal, hyperbranched, urchin-like or snow flake structures. In this short review including new results, this will be illustrated by examples selected in two types of materials, phosphates and phosphonates, prepared by this method. The importance of the synthesis parameters will be highlighted for a magnetic iron based phosphates and for hybrids containing phosphonates organic building units crystallizing in different structural types. - Graphical abstract: Phosphate dendrite like and phosphonate platelet crystals.

  1. The DOE Center of Excellence for the Synthesis and Processing of Advanced Materials: Research briefs

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-01-01

    This publication is designed to inform present and potential customers and partners of the DOE Center of Excellence for the Synthesis and Processing of Advanced Materials about significant advances resulting from Center-coordinated research. The format is an easy-to-read, not highly technical, concise presentation of the accomplishments. Selected accomplishments from each of the Center`s seven initial focused projects are presented. The seven projects are: (1) conventional and superplastic forming; (2) materials joining; (3) nanoscale materials for energy applications; (4) microstructural engineering with polymers; (5) tailored microstructures in hard magnets; (6) processing for surface hardness; and (7) mechanically reliable surface oxides for high-temperature corrosion resistance.

  2. Theoretical Synthesis of Mixed Materials for CO2 Capture Applications

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Yuhua

    2015-01-01

    These pages provide an example of the layout and style required for the preparation of four-page papers for the TechConnect World 2015 technical proceedings.Documents must be submitted in electronic (Adobe PDFfile) format. Please study the enclosed materials beforebeginning the final preparation of your paper. Proofread your paper carefully before submitting (it will appear in the published volume in exactly the same form). Your PDF manuscript must be uploaded online by April 11th, 2015.You will receive no proofs. Begin your paper with an abstract of no more than 18 lines. Thoroughly summarize your article in this section since this text will be used for on-line listing and classification of the publication.

  3. Green Chemistry: Effect of Microwave Irradiationon Synthesis of Chitosan for Biomedical Grade Applications of Biodegradable Materials

    Directory of Open Access Journals (Sweden)

    Amri Setyawati

    2016-10-01

    Full Text Available Microwave assisted chitosan synthesis as biodegradable material for biomedical application has been done. The purpose of this research is to synthesis of chitosan with high DD and low molecular weight using microwave energy, the study of reaction conditions include parameters of power and reaction time. Chitosan was prepared by deacetylation of chitin with 60% NaOH solution. Conventional method has been done by reflux for 90minutes, resulting chitosan with DD of 79.5%, 72.6% yields and molecular weight 6051 g/mol. Green chemistry method using microwave radiation at 800 Watts for 5 minutes has produced chitosan with highest DD, yield and molecular weight of 86%, 75% and 3797 g/mole respectively. Synthesis of Chitosan by microwave radiation method can save 10x electrical energy for the reaction, also rapidly and effectively to produce chitosan with low molecular weight compared to conventional methods

  4. Density functional theory and multiscale materials modeling

    Indian Academy of Sciences (India)

    One of the vital ingredients in the theoretical tools useful in materials modeling at all the length scales of interest is the concept of density. In the microscopic length scale, it is the electron density that has played a major role in providing a deeper understanding of chemical binding in atoms, molecules and solids.

  5. A Sorption Hysteresis Model For Cellulosic Materials

    DEFF Research Database (Denmark)

    Frandsen, Henrik Lund; Damkilde, Lars

    2006-01-01

    The equilibrium concentration of adsorbed water in cellulosic materials is dependent on the history of the variations of vapor pressure in the ambient air, i.e. sorption hysteresis. Existing models to describe this phenomenon such as the independent domain theory have numerical drawbacks and/or i...

  6. Nanostructured inorganic materials: Synthesis and associated electrochemical properties

    Science.gov (United States)

    Yau, Shali Zhu

    Synthetic strategy for preparing potential battery materials at low temperature was developed. Magnetite (Fe3O4), silver hollandnite (AgxMn8O16), magnesium manganese oxide (MgxMnO 2˙yH2O), and silver vanadium phosphorous oxide (Ag 2VO2PO4) were studied. Magnetite (Fe3O4) was prepared by coprecipitation induced by triethylamine from aqueous iron(II) and iron(III) chloride solutions of varying concentrations. Variation of the iron(II) and iron(III) concentrations results in crystallite size control of the Fe3O4 products. Materials characterization of the Fe3O4 samples is reported, including Brunauer-Emmitt-Teller (BET) surface area, x-ray powder diffraction (XRD), transmission electron microscopy (TEM), particle size, and saturation magnetization results. A strong correlation between discharge capacity and voltage recovery behavior versus crystallite size was observed when tested as an electrode material in lithium electrochemical cells. Silver hollandite (AgxMn8O16) was successfully synthesized through a low temperature reflux reaction. The crystallite size and silver content of AgxMn8O16 by varying the reactant ratio of silver permanganate (AgMnO4) and manganese sulfate monohydrate (MnSO4˙H2O). Silver hollandite was characterized by Brunauer-Emmitt-Teller (BET) surface area, inductively coupled plasma-optical emission (ICP-OES) spectrometry, helium pycnometry, simultaneous thermogravimetric analysis/differential scanning calorimetry (TGA/DSC), and x-ray powder diffraction (XRD). The crystallite size showed a strong correlation with silver content, BET surface area, and particle sizes. The silver hollandite cathode showed good discharge capacity retention in 30 cycles of discharge-charge. There were a good relationship between crystallite size and rate capability and pulse ability. Magnesium manganese oxide (MgxMnO2˙yH 2O) was made by redox reaction by mixing sodium hydroxide (NaOH), manganese sulfate monohydrate (MnSO4˙HO2), and potassium persulfate (K2S2O8

  7. Design, Fabrication, Characterization and Modeling of Integrated Functional Materials

    Science.gov (United States)

    2012-10-01

    programs in physical and chemical materials synthesis and characterization of bulk materials, thin films and nanomaterials ; crystal fiber growth...growth using a laser-assisted spray pyrolysis (LASP) method, Presented at (84) A. Datta, and G.S. Nolas, CrystEngComm. 2011, 13, 2753. (85) S. J

  8. Multifunctional upconversion-magnetic hybrid nanostructured materials: synthesis and bioapplications.

    Science.gov (United States)

    Li, Xiaomin; Zhao, Dongyuan; Zhang, Fan

    2013-01-01

    The combination of nanotechnology and biology has developed into an emerging research area: nano-biotechnology. Upconversion nanoparticles (UCNPs) have attracted a great deal of attention in bioapplications due to their high chemical stability, low toxicity, and high signal-to-noise ratio. Magnetic nanoparticles (MNPs) are also well-established nanomaterials that offer controlled size, ability to be manipulated externally, and enhancement of contrast in magnetic resonance imaging (MRI). As a result, these nanoparticles could have many applications in biology and medicine, including protein purification, drug delivery, and medical imaging. Because of the potential benefits of multimodal functionality in biomedical applications, researchers would like to design and fabricate multifunctional upconversion-magnetic hybrid nanostructured materials. The hybrid nanostructures, which combine UCNPs with MNPs, exhibit upconversion fluorescence alongside superparamagnetism property. Such structures could provide a platform for enhanced bioimaging and controlled drug delivery. We expect that the combination of unique structural characteristics and integrated functions of multifunctional upconversion-magnetic nanoparticles will attract increasing research interest and could lead to new opportunities in nano-bioapplications.

  9. Synthesis of polymer materials for use as cell culture substrates

    Energy Technology Data Exchange (ETDEWEB)

    Lakard, Sophie [Laboratoire de Chimie des Materiaux et Interfaces, University of Franche-Comte, IUT, 30 Avenue de l' Observatoire, 25009 Besancon (France)], E-mail: sophie.lakard@univ-fcomte.fr; Morrand-Villeneuve, Nadege [Laboratoire de Neurosciences, University of Franche-Comte, Place Leclerc, 25030 Besancon (France); Lesniewska, Eric [Laboratoire de Physique de l' Universite de Bourgogne, University of Bourgogne, 9 Avenue Savary, 21078 Dijon (France); Lakard, Boris [Laboratoire de Chimie des Materiaux et Interfaces, University of Franche-Comte, 16 Route de Gray, 25030 Besancon (France); Michel, Germaine [Laboratoire de Neurosciences, University of Franche-Comte, Place Leclerc, 25030 Besancon (France); Herlem, Guillaume [Laboratoire de Chimie des Materiaux et Interfaces, University of Franche-Comte, 16 Route de Gray, 25030 Besancon (France); Gharbi, Tijani [Laboratoire d' Optique P.M. Duffieux, University of Franche-Comte, 16 Route de Gray, 25030 Besancon (France); Fahys, Bernard [Laboratoire de Chimie des Materiaux et Interfaces, University of Franche-Comte, 16 Route de Gray, 25030 Besancon (France)

    2007-12-20

    Up to today, several techniques have been used to maintain cells in culture for studying many aspects of cell biology and physiology. More often, cell culture is dependent on proper anchorage of cells to the growth surface. Thus, poly-L-lysine, fibronectin or laminin are the most commonly used substrates. In this study, electrosynthesized biocompatible polymer films are proposed as an alternative to these standard substrates. The electrosynthesized polymers tested were polyethylenimine, polypropylenimine and polypyrrole. Then, the adhesion, proliferation and morphology of rat neuronal cell lines were investigated on these polymer substrates in an attempt to develop new and efficient polymer materials for cell culture. During their growth on the polymers, the evolution of the cell morphology was monitored using both confocal microscopy and immunohistochemistry, leading to the conclusion of a normal development. An estimation of the adhesion and proliferation rates of rat neuronal cell cultures indicated that polyethylenimine and polypropylenimine were the best substrates for culturing olfactory neuronal cells. A method to favour the differentiation of the neuronal cells was also developed since the final aim of this work is to develop a biosensor for odour detection using differentiated neuronal cells as transducers. Consequently, a biosensor was microfabricated using silicon technology. This microsystem allowed us to culture the cells on a silicon wafer and to position the cells on certain parts of the silicon wafer.

  10. Synthesis of Titania-Silica Materials by Sol-Gel

    Directory of Open Access Journals (Sweden)

    Rubia F. S. Lenza

    2002-10-01

    Full Text Available In this work TiO2-SiO2 glasses containing as much as 20 mol % of TiO2 were prepared via sol-gel process using titanium and silicon alkoxides, in the presence of chlorine, in the form of titanium tetrachloride or HCl. The gels were heat-treated until 800 °C. X-ray diffraction and Fourier transform infrared spectroscopy were used to understand the structural properties of TiO2-SiO2 oxides calcined at different temperatures and to evaluate the homogeneity of these materials. The degree of the compactness of the silica network is inferred from the frequency of the asymmetric stretching vibrations of Si-O-Si bonds. Formation of Si-O-Ti bridges, as monitored by the intensity of characteristic 945 cm-1 ¾ 960 cm-1 vibration, is particularly prominent if the method of basic two-step prehydrolysis of silicon alkoxide, addition of titanium alkoxide and completion of hydrolysis was used.

  11. Nickel hydroxides and related materials: a review of their structures, synthesis and properties

    Science.gov (United States)

    Hall, David S.; Lockwood, David J.; Bock, Christina; MacDougall, Barry R.

    2015-01-01

    This review article summarizes the last few decades of research on nickel hydroxide, an important material in physics and chemistry, that has many applications in engineering including, significantly, batteries. First, the structures of the two known polymorphs, denoted as α-Ni(OH)2 and β-Ni(OH)2, are described. The various types of disorder, which are frequently present in nickel hydroxide materials, are discussed including hydration, stacking fault disorder, mechanical stresses and the incorporation of ionic impurities. Several related materials are discussed, including intercalated α-derivatives and basic nickel salts. Next, a number of methods to prepare, or synthesize, nickel hydroxides are summarized, including chemical precipitation, electrochemical precipitation, sol–gel synthesis, chemical ageing, hydrothermal and solvothermal synthesis, electrochemical oxidation, microwave-assisted synthesis, and sonochemical methods. Finally, the known physical properties of the nickel hydroxides are reviewed, including their magnetic, vibrational, optical, electrical and mechanical properties. The last section in this paper is intended to serve as a summary of both the potentially useful properties of these materials and the methods for the identification and characterization of ‘unknown’ nickel hydroxide-based samples. PMID:25663812

  12. Plasma-Assisted Synthesis and Surface Modification of Electrode Materials for Renewable Energy.

    Science.gov (United States)

    Dou, Shuo; Tao, Li; Wang, Ruilun; El Hankari, Samir; Chen, Ru; Wang, Shuangyin

    2018-02-14

    Renewable energy technology has been considered as a "MUST" option to lower the use of fossil fuels for industry and daily life. Designing critical and sophisticated materials is of great importance in order to realize high-performance energy technology. Typically, efficient synthesis and soft surface modification of nanomaterials are important for energy technology. Therefore, there are increasing demands on the rational design of efficient electrocatalysts or electrode materials, which are the key for scalable and practical electrochemical energy devices. Nevertheless, the development of versatile and cheap strategies is one of the main challenges to achieve the aforementioned goals. Accordingly, plasma technology has recently appeared as an extremely promising alternative for the synthesis and surface modification of nanomaterials for electrochemical devices. Here, the recent progress on the development of nonthermal plasma technology is highlighted for the synthesis and surface modification of advanced electrode materials for renewable energy technology including electrocatalysts for fuel cells, water splitting, metal-air batteries, and electrode materials for batteries and supercapacitors, etc. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Monodisperse hollow silica nanospheres for nano insulation materials: synthesis, characterization, and life cycle assessment.

    Science.gov (United States)

    Gao, Tao; Jelle, Bjørn Petter; Sandberg, Linn Ingunn C; Gustavsen, Arild

    2013-02-01

    The application of manufactured nanomaterials provides not only advantages resulting from their unique properties but also disadvantages derived from the high energy use and CO(2) burden related to their manufacture, operation, and disposal. It is therefore important to understand the trade-offs of process economics of nanomaterial production and their associated environmental footprints in order to strengthen the existing advantages while counteracting disadvantages. This work reports the synthesis, characterization, and life cycle assessment (LCA) of a new type of superinsulating materials, nano insulation materials (NIMs), which are made of hollow silica nanospheres (HSNSs) and have great flexibility in modifying their properties by tuning the corresponding structural parameters. The as-prepared HSNSs in this work have a typical inner pore diameter of about 150 nm and a shell thickness of about 10-15 nm and exhibit a reduced thermal conductivity of about 0.02 W/(m K) because of their size-dependent thermal conduction at the nanometer scale. The energy and raw material consumption related to the synthesis of HSNSs have been analyzed by the LCA method. The results indicate that the recycle of chemicals, up-scaling production, and use of environmentally friendly materials can greatly affect the process of environmental footprints. New synthesis routes for NIMs with improved thermal performance and energy and environmental features are also recommended on the basis of the LCA study.

  14. Novel self-assembled gels and materials synthesis in unconventional environments

    Science.gov (United States)

    Irvin, Glen Clifford, Jr.

    This thesis deals specifically with the fabrication of novel nanophase and polymer materials using novel microstructured mediums. Enzymatic polymerization in a new microemulsion system using dense carbon dioxide and fluorinated surfactants was carried out. The morphology, molecular weight, and chemical structure of the polymer are characterized through electron microscopy, HPLC, FTIR, and 1HNMR. Structural characteristics indicate similarity to polymers formed in AOT-inverse micelles. Spectroscopic information of the polymerization system on a molecular level has been performed. The results indicate strong hydrogen bonding interactions between the monomer, water, and perfluorinated surfactant implying the partitioning of the monomer to the surfactant headgroup region. An extension of the microemulsion environment is found with novel microemulsion based gels. The gels contain both lecithin and AOT surfactants where roughly equal volumes of hydrocarbon and water forms a three-dimensional gel network. This microemulsion system is unique from a fundamental scientific and practical interest. Analysis of the system microstructures using 1HNMR, 13CNMR 31PNNM, Rheology, SAXS, SANS, and conductivity is presented. Nanomaterial templated syntheses were conducted and are discussed. A new technique was developed for the rapid production of clathrate hydrates either in aqueous or water-in-microemulsion environments. The systems devised for this technology have significantly greater interfacial contact between water and gas molecules (clathrate hydrate constituents). The rapid clathrate hydrate technique was utilized for synthesis of nanoclusters in aqueous and reverse micelle based systems using the remarkable phenomenon of clathrate hydrate formation. Conversion of water to crystalline ice-like (clathrate hydrate) form is exploited to arrest particle growth, thereby restricting particle size to the nanometer range. The technique is used to generate high synthesis rates of

  15. Methanol synthesis using captured CO2 as raw material: Techno-economic and environmental assessment

    International Nuclear Information System (INIS)

    Pérez-Fortes, Mar; Schöneberger, Jan C.; Boulamanti, Aikaterini; Tzimas, Evangelos

    2016-01-01

    Highlights: • A carbon utilisation plant that synthesise methanol is simulated in CHEMCAD. • The total amount of CO 2 demand is 1.46 t/t methanol . • The CO 2 not-produced compared to a conventional plant is 0.54 t/t methanol . • Production costs results too high for a financially attractive project. • There is a net potential for CO 2 emissions reduction of 2.71 MtCO 2 /yr in Europe. - Abstract: The purpose of this paper is to assess via techno-economic and environmental metrics the production of methanol (MeOH) using H 2 and captured CO 2 as raw materials. It evaluates the potential of this type of carbon capture and utilisation (CCU) plant on (i) the net reduction of CO 2 emissions and (ii) the cost of production, in comparison with the conventional synthesis process of MeOH Europe. Process flow modelling is used to estimate the operational performance and the total purchased equipment cost; the flowsheet is implemented in CHEMCAD, and the obtained mass and energy flows are utilised as input to calculate the selected key performance indicators (KPIs). CO 2 -based metrics are used to assess the environmental impact. The evaluated MeOH plant produces 440 ktMeOH/yr, and its configuration is the result of a heat integration process. Its specific capital cost is lower than for conventional plants. However, raw materials prices, i.e. H 2 and captured CO 2 , do not allow such a project to be financially viable. In order to make the CCU plant financially attractive, the price of MeOH should increase in a factor of almost 2, or H 2 costs should decrease almost 2.5 times, or CO 2 should have a value of around 222 €/t, under the assumptions of this work. The MeOH CCU-plant studied can utilise about 21.5% of the CO 2 emissions of a pulverised coal (PC) power plant that produces 550 MW net of electricity. The net CO 2 emissions savings represent 8% of the emissions of the PC plant (mainly due to the avoidance of consuming fossil fuels as in the conventional Me

  16. Diffusion in condensed matter methods, materials, models

    CERN Document Server

    Kärger, Jörg

    2005-01-01

    Diffusion as the process of particle transport due to stochastic movement is a phenomenon of crucial relevance for a large variety of processes and materials. This comprehensive, handbook- style survey of diffusion in condensed matter gives detailed insight into diffusion as the process of particle transport due to stochastic movement. Leading experts in the field describe in 23 chapters the different aspects of diffusion, covering microscopic and macroscopic experimental techniques and exemplary results for various classes of solids, liquids and interfaces as well as several theoretical concepts and models. Students and scientists in physics, chemistry, materials science, and biology will benefit from this detailed compilation.

  17. Modeling of alkynes: synthesis and theoretical properties

    Directory of Open Access Journals (Sweden)

    Renato Rosseto

    2003-06-01

    Full Text Available In this paper we present the synthesis and simulation of alkynes derivatives. Semiempirical calculations were carried out for the ground and first excited states, including the spectroscopic properties of the absorption and emission (fluorescence and phosphorescence spectra by INDO/S-CI and DNdM-INDO/S-CI methods with geometries fully optimized by PM3/CI. The fact that the theoretical spectra are in accord with the experimental absorption spectra gives us a new possible approach on how structure modifications could affect the non-linear optical properties of alkynes.

  18. Development and optimisation of synthesis, characterisation and physical properties of solid materials for strip conductors; purpose oriented synthesis of novel systems. Final report

    International Nuclear Information System (INIS)

    Guenther, W.; Schoellhorn, R.

    1995-06-01

    The project reported is part of studies into the performance of HTSC, and was responsible for the following essential tasks: synthesis, characterisation, and optimisation of oxocuprates of the type (RE)Ba 2 Cu 3 O 7 , examination of the relevant corrosion processes and reactivity of the phases, and synthesis of novel systems guided by special model concepts, applying kinetics-controlled low-temperature synthesis. (orig./MM) [de

  19. Synthesis and study of nano-structured cellulose acetate based materials for energy applications

    International Nuclear Information System (INIS)

    Fischer, F.

    2006-12-01

    Nano-structured materials have unique properties (high exchange areas, containment effect) because of their very low characteristic dimensions. The elaboration way set up in this PhD work consists in applying the classical processes for the preparation of aerogel-like materials (combining sol-gel synthesis and CO 2 supercritical extraction) to cellulosic polymers. This work is divided in four parts: a literature review, the presentation and the study of the chemical synthesis that leads to cellulose acetate-based aerogel, the characterizations (chemical, structural and thermal) of the elaborated nano-materials, and finally the study of the first carbons that were obtained after pyrolysis of the organic matrix. The formulations and the sol-gel protocol lead to chemical gels by crosslinking cellulose acetate using a poly-functional iso-cyanate. The dry materials obtained after solvent extraction with supercritical CO 2 are nano-structured and mainly meso-porous. Correlations between chemical synthesis parameters (reagent concentrations, crosslinking rate and degree of polymerisation) and porous properties (density, porosity, pore size distribution) were highlighted thanks to structural characterizations. An ultra-porous reference aerogel, with a density equals to 0,245 g.cm -3 together with a meso-porous volume of 3,40 cm 3 .g -1 was elaborated. Once in granular shape, this material has a thermal conductivity of 0,029 W.m -1 .K -1 . In addition, carbon materials produced after pyrolysis of the organic matrix and after grinding are nano-structured and nano-porous, even if important structural modifications have occurred during the carbonization process. The elaborated materials are evaluated for applications in relation with energy such as thermal insulation (organic aerogels) but also for energy conversion and storage through electrochemical way (carbon aerogels). (author)

  20. Modeling electrical dispersion phenomena in Earth materials

    Directory of Open Access Journals (Sweden)

    D. Patella

    2008-06-01

    Full Text Available It is illustrated that IP phenomena in rocks can be described using conductivity dispersion models deduced as solutions to a 2nd-order linear differential equation describing the motion of a charged particle immersed in an external electrical field. Five dispersion laws are discussed, namely: the non-resonant positive IP model, which leads to the classical Debye-type dispersion law and by extension to the Cole-Cole model, largely used in current practice; the non-resonant negative IP model, which allows negative chargeability values, known in metals at high frequencies, to be explained as an intrinsic physical property of earth materials in specific field cases; the resonant flat, positive or negative IP models, which can explain the presence of peak effects at specific frequencies superimposed on flat, positive or negative dispersion spectra.

  1. Design, synthesis, and characterization of new phosphazene related materials, and study the structure property correlations

    Science.gov (United States)

    Tian, Zhicheng

    The work described in this thesis is divided into three major parts, and all of which involve the exploration of the chemistry of polyphosphazenes. The first part (chapters 2 and 3) of my research is synthesis and study polyphoshazenes for biomedical applications, including polymer drug conjugates and injectable hydrogels for drug or biomolecule delivery. The second part (chapters 4 and 5) focuses on the synthesis of several organic/inorganic hybrid polymeric structures, such as diblock, star, brush and palm tree copolymers using living cationic polymerization and atom transfer radical polymerization techniques. The last part (chapters 6 and 7) is about exploratory synthesis of new polymeric structures with fluorinated side groups or cycloaliphatic side groups, and the study of new structure property relationships. Chapter 1 is an outline of the fundamental concepts for polymeric materials, as such the history, important definitions, and some introductory material for to polymer chemistry and physics. The chemistry and applications of phopshazenes is also briefly described. Chapter 2 is a description of the design, synthesis, and characterization of development of a new class of polymer drug conjugate materials based on biodegradable polyphosphazenes and antibiotics. Poly(dichlorophosphazene), synthesized by a thermal ring opening polymerization, was reacted with up to 25 mol% of ciprofloxacin or norfloxacin and three different amino acid esters (glycine, alanine, or phenylalanine) as cosubstituents via macromolecular substitutions. Nano/microfibers of several selected polymers were prepared by an electrospinning technique. Chapter 3 is concerned with the development of a class of injectable and biodegradable hydrogels based on water-soluble poly(organophosphazenes) containing oligo(ethylene glycol) methyl ethers and glycine ethyl esters. The hydrogels can be obtained by mixing alpha-cyclodextrin aqueous solution and poly(organophosphazenes) aqueous solution in

  2. Analysis and synthesis of solutions for the agglomeration process modeling

    Science.gov (United States)

    Babuk, V. A.; Dolotkazin, I. N.; Nizyaev, A. A.

    2013-03-01

    The present work is devoted development of model of agglomerating process for propellants based on ammonium perchlorate (AP), ammonium dinitramide (ADN), HMX, inactive binder, and nanoaluminum. Generalization of experimental data, development of physical picture of agglomeration for listed propellants, development and analysis of mathematical models are carried out. Synthesis of models of various phenomena taking place at agglomeration implementation allows predicting of size and quantity, chemical composition, structure of forming agglomerates and its fraction in set of condensed combustion products. It became possible in many respects due to development of new model of agglomerating particle evolution on the surface of burning propellant. Obtained results correspond to available experimental data. It is supposed that analogical method based on analysis of mathematical models of particular phenomena and their synthesis will allow implementing of the agglomerating process modeling for other types of metalized solid propellants.

  3. High Yield Synthesis of Aspect Ratio Controlled Graphenic Materials from Anthracite Coal in Supercritical Fluids.

    Science.gov (United States)

    Sasikala, Suchithra Padmajan; Henry, Lucile; Yesilbag Tonga, Gulen; Huang, Kai; Das, Riddha; Giroire, Baptiste; Marre, Samuel; Rotello, Vincent M; Penicaud, Alain; Poulin, Philippe; Aymonier, Cyril

    2016-05-24

    This paper rationalizes the green and scalable synthesis of graphenic materials of different aspect ratios using anthracite coal as a single source material under different supercritical environments. Single layer, monodisperse graphene oxide quantum dots (GQDs) are obtained at high yield (55 wt %) from anthracite coal in supercritical water. The obtained GQDs are ∼3 nm in lateral size and display a high fluorescence quantum yield of 28%. They show high cell viability and are readily used for imaging cancer cells. In an analogous experiment, high aspect ratio graphenic materials with ribbon-like morphology (GRs) are synthesized from the same source material in supercritical ethanol at a yield of 6.4 wt %. A thin film of GRs with 68% transparency shows a surface resistance of 9.3 kΩ/sq. This is apparently the demonstration of anthracite coal as a source for electrically conductive graphenic materials.

  4. Modeling material failure with a vectorized routine

    Science.gov (United States)

    Cramer, S. M.; Goodman, J. R.

    1984-01-01

    The computational aspects of modelling material failure in structural wood members are presented with particular reference to vector processing aspects. Wood members are considered to be highly orthotropic, inhomogeneous, and discontinuous due to the complex microstructure of wood material and the presence of natural growth characteristics such as knots, cracks and cross grain in wood members. The simulation of strength behavior of wood members is accomplished through the use of a special purpose finite element/fracture mechanics routine, program STARW (Strength Analysis Routine for Wood). Program STARW employs quadratic finite elements combined with singular crack tip elements in a finite element mesh. Vector processing techniques are employed in mesh generation, stiffness matrix formation, simultaneous equation solution, and material failure calculations. The paper addresses these techniques along with the time and effort requirements needed to convert existing finite element code to a vectorized version. Comparisons in execution time between vectorized and nonvectorized routines are provided.

  5. Material characterization models and test methods for historic building materials

    DEFF Research Database (Denmark)

    Hansen, Tessa Kvist; Peuhkuri, Ruut Hannele; Møller, Eva B.

    2017-01-01

    Predictions of long term hygrothermal performance can be assessed by dynamic hygrothermal simulations, in which material parameters are crucial input. Material parameters for especially historic materials are often unknown; therefore, there is a need to determine important parameters, and simple...... decisive parameters through simple testing of interrelated parameters that are easier to determine....

  6. Dynamic modelling of packaging material flow systems.

    Science.gov (United States)

    Tsiliyannis, Christos A

    2005-04-01

    A dynamic model has been developed for reused and recycled packaging material flows. It allows a rigorous description of the flows and stocks during the transition to new targets imposed by legislation, product demand variations or even by variations in consumer discard behaviour. Given the annual reuse and recycle frequency and packaging lifetime, the model determines all packaging flows (e.g., consumption and reuse) and variables through which environmental policy is formulated, such as recycling, waste and reuse rates and it identifies the minimum number of variables to be surveyed for complete packaging flow monitoring. Simulation of the transition to the new flow conditions is given for flows of packaging materials in Greece, based on 1995--1998 field inventory and statistical data.

  7. Synthesis and functional properties of nanostructured ceria materials; Synthese und funktionelle Eigenschaften nanostrukturierter Ceroxidmaterialien

    Energy Technology Data Exchange (ETDEWEB)

    Naumann, Meike

    2014-06-02

    Nanostructured ceria tubes have been synthesised using electro spun polymer fibers as templating material. These polymer mats are produced by electro spinning starting with a polymer solution. In a next step polymer fibers are decorated with cer containing sol, which is then dried. To receive ceria tubes the polymer is removed on the one hand by thermal decomposition of the polymer or on the other hand by oxygen plasma treatment of ceria/polymer hybrid material. The resulting ceria tubes have a specific surface area of 98 m2 g-1. TEM, XRD, SAED and Raman investigations show a fully nanostructured crystallinity with cubic fluorine type structure. This obtained material shows a photo catalytic activity within decomposition of methylene blue in the Vis part of the electromagnetic spectrum. This photo catalytic activity can be increased using doping ions of transition and rare earth elements that are introduced in the sol-gel synthesis. Also here XRD and TEM investigations show a fully nano crystalline structure of ceria. Raman spectroscopy verifies the doping of ceria by transition and rare earth elements up to 22% of doping. No phase separation can be observed. The photo catalytic activity can be increased using these doped materials. Additionally a catalytic activity of pure ceria and mixed ceria/zirconia materials have been investigated synthesis of dimethylcarboxilate without water addition. Here a direct dependence between turn over and doping cannot be detected. The dependence can be deduced to the synthesis process of the catalyst. Terminal sensoric properties of doped and undoped ceria (n-type semiconductor) are investigated. The prepared materials are used as chemiresistors against oxygen at temperatures of 700 C. These investigations show a reversible increase of the electrical resistance against oxygen.

  8. Simplified Application of Material Efficiency Green Metrics to Synthesis Plans: Pedagogical Case Studies Selected from "Organic Syntheses"

    Science.gov (United States)

    Andraos, John

    2015-01-01

    This paper presents a simplified approach for the application of material efficiency metrics to linear and convergent synthesis plans encountered in organic synthesis courses. Computations are facilitated and automated using intuitively designed Microsoft Excel spreadsheets without invoking abstract mathematical formulas. The merits of this…

  9. Synthesis of Chalcone and Flavanone Compound Using Raw Material of Acetophenone and Benzaldehyde Derivative

    Directory of Open Access Journals (Sweden)

    Ismiyarto Ismiyarto

    2010-06-01

    Full Text Available Synthesis of flavanoid compounds of chalcone and flavanone groups have been conducted. Flavanoid Is one of the group natural products which is mostly found in plants and have been proved to have physiological activity as drug. In this research, chalcone proup compounds that being synthesized are: chalcone, 3,4-dimethoxychalcone, 2'-hidroxy-3,4-dimethoxychalcone where as compound of flavanone group that being synthesized is 3',4'-dimethoxyflavanone. The synthesis of chalcone group are carried out based on Claisen-Schmidt reaction by using raw material of aromatic aldehydes and aromatic ketones. The synthesis in carried out by stirring at the room temperature using alkali solution as catalyst and ethanol as solvent. The synthesis of 3',4'-dimethoxyflanone is made based on the nucleophilic 1,4 addition of the unsaturated α,β ketone. The synthesis is made by refluxing 2'-hydroxy-3,4-dimethoxychalcone in alkali condition for 12 hours. The identification of flavanoid compound is carried out by using spectroscopic IR, GC-MS and 1H-NMR methods. The result of each synthesis chalcone group are follows: chalcone as yellowish solid with m.p= 50 °C and the yield is 83.39%; 3,4-dimethoxychalcone as yellow solid with m.p= 57°C and the yield is 76.00% ; 2'-hydroxy-3,4-dimethoxychalcone as orange solid with m.p= 90 °C and the yield is 74.29%, for 3',4'-dimethoxyflavanone as pale yellow solid with m.p= 80 °C and the yield is 72.00%.

  10. Synthesis, evaluation and molecular modelling studies of some ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 122; Issue 2. Synthesis, evaluation and molecular modelling studies of some novel 3-(3 ... The compounds have been characterized on the basis of elemental analysis and spectral data. All the compounds were evaluated for their HIV-1 RT inhibitory activity. Among ...

  11. Finite element modeling for materials engineers using Matlab

    CERN Document Server

    Oluwole, Oluleke

    2014-01-01

    Finite Element Modeling for Materials Engineers Using MATLAB® combines the finite element method with MATLAB to offer materials engineers a fast and code-free way of modeling for many materials processes.

  12. Chemical synthesis of Cd-free wide band gap materials for solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Sankapal, B.R.; Sartale, S.D.; Ennaoui, A. [Hahn-Meitner-Institut, Berlin (Germany). Department of Solar Energy Research; Lokhande, C.D. [Shivaji University, Kolhapur (India). Department of Physics

    2004-07-01

    Chemical methods are nowadays very attractive, since they are relatively simple, low cost and convenient for larger area deposition of thin films. In this paper, we outline our work related to the synthesis and characterization of some wide band gap semiconducting material thin films prepared by using solution methods, namely, chemical bath deposition and successive ionic layer adsorption and reaction (SILAR). The optimum preparative parameters are given and respective structural, surface morphological, compositional, optical, and electrical properties are described. Some materials we used in solar cells as buffer layers and achieved remarkable results, which are summarized. (author)

  13. Synthesis and Characterization of Fly Ash Geopolymer for Water Absorbent Material

    OpenAIRE

    Anggarini Ufafa; Sukmana Ndaru Candra; Prasetya Fandi Angga

    2017-01-01

    Geopolymer as a water absorbent material has been synthesized from fly ash. This research aims to determine the ability of geopolymer to save water content with variations of NaOH molar ratio. In this research, the synthesis of geopolymer was conducted by setting NaOH molar ratio at 3, 4, 5, 6 and 7 M. The resulting material characterization was done by using XRD, FTIR and SEM in order to characterize the geopolymer structures. Water absorption capacity was measured by immersing the geopolyme...

  14. Developments in the synthesis, processing and applications of light-weight metallic materials

    International Nuclear Information System (INIS)

    Mazhar, A.A.; Froes, F.H.; Trindade, B.

    2003-01-01

    The low-density metallic materials aluminium, magnesium and titanium are important in many segments of the world economy, ranging from aerospace to sports equipment. The importance of cost is strongly dependant on the industry being considered: in the construction and automobile industries, cost is extremely important, while in the aerospace and medical industries, performance is emphasized over cost. The paper provides an overview of the synthesis, processing, microstructures, mechanical properties and applications of these lightweight materials and discusses the importance of cost-effective processing. (author)

  15. Synthesis and Characterization of Bio-Oil Phenol Formaldehyde Resin Used to Fabricate Phenolic Based Materials

    OpenAIRE

    Cui, Yong; Hou, Xiaopeng; Wang, Wenliang; Chang, Jianmin

    2017-01-01

    In this study, bio-oil from the fast pyrolysis of renewable biomass was used as the raw material to synthesize bio-oil phenol formaldehyde (BPF) resin—a desirable resin for fabricating phenolic-based material. During the synthesis process, paraformaldehyde was used to achieve the requirement of high solid content and low viscosity. The properties of BPF resins were tested. Results indicated that BPF resin with the bio-oil addition of 20% had good performance on oxygen index and bending streng...

  16. Synthesis of biomass derived carbon materials for environmental engineering and energy storage applications

    Science.gov (United States)

    Huggins, Mitchell Tyler

    Biomass derived carbon (BC) can serve as an environmentally and cost effective material for both remediation and energy production/storage applications. The use of locally derived biomass, such as unrefined wood waste, provides a renewable feedstock for carbon material production compared to conventional unrenewable resources like coal. Additionally, energy and capital cost can be reduced through the reduction in transport and processing steps and the use of spent material as a soil amendment. However, little work has been done to evaluate and compare biochar to conventional materials such as granular activated carbon or graphite in advanced applications of Environmental Engineering. In this work I evaluated the synthesis and compared the performance of biochar for different applications in wastewater treatment, nutrient recovery, and energy production and storage. This includes the use of biochar as an electrode and filter media in several bioelectrochemical systems (BES) treating synthetic and industrial wastewater. I also compared the treatment efficiency of granular biochar as a packed bed adsorbent for the primary treatment of high strength brewery wastewater. My studies conclude with the cultivation of fungal biomass to serve as a template for biochar synthesis, controlling the chemical and physical features of the feedstock and avoiding some of the limitations of waste derived materials.

  17. Novel bio-based epoxy-polyurethane materials from modified vegetable oils – synthesis and characterization

    Directory of Open Access Journals (Sweden)

    A. Sienkiewicz

    2017-04-01

    Full Text Available Presented research shows the results of a study on mechanical properties of materials obtained in the course of innovatory application of epoxidized vegetable oil in the synthesis of new bio-based epoxy resins, crosslinked with curing agents which are not typical for epoxy materials. The product was obtained via modern and pro-ecological modification of a well-known synthesis method of epoxies, namely the epoxy fusion process, then it was crosslinked using polyisocyanates of different structure: toluene-2,4-diisocyanate (TDI, hexamethylene diisocyanate (HDI and 4,4’-methylene diphenyl diisocyanate (MDI. The obtained epoxy-polyurethane materials are characterized by various mechanical properties, which depend on the type of chosen isocyanate. Compositions based on HDI exhibit better mechanical characteristics than elastic polyurethane materials based on hydroxylated soybean oil. Materials cured with aromatic isocyanates MDI and TDI are characterized by higher mechanical resistance comparable with cast polyurethane based on petrochemical resources. Epoxy fusion product cured with toluene-2,4-diisocyanate in a presence of Dabco T9 appears to have the best mechanical properties among all tested compositions.

  18. Controlling Magnetic and Ferroelectric Order Through Geometry: Synthesis, Ab Initio Theory, Characterization of New Multi-Ferric Fluoride Materials

    Energy Technology Data Exchange (ETDEWEB)

    Halasyamani, Shiv [Univ. of Houston, TX (United States); Fennie, Craig [Cornell Univ., Ithaca, NY (United States)

    2016-11-03

    We have focused on the synthesis, characterization, and ab initio theory on multi-functional mixed-metal fluorides. With funding from the DOE, we have successfully synthesized and characterized a variety of mixed metal fluoride materials.

  19. New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology.

    Science.gov (United States)

    Peng, Qing; Dearden, Albert K; Crean, Jared; Han, Liang; Liu, Sheng; Wen, Xiaodong; De, Suvranu

    2014-01-01

    Plenty of new two-dimensional materials including graphyne, graphdiyne, graphone, and graphane have been proposed and unveiled after the discovery of the "wonder material" graphene. Graphyne and graphdiyne are two-dimensional carbon allotropes of graphene with honeycomb structures. Graphone and graphane are hydrogenated derivatives of graphene. The advanced and unique properties of these new materials make them highly promising for applications in next generation nanoelectronics. Here, we briefly review their properties, including structural, mechanical, physical, and chemical properties, as well as their synthesis and applications in nanotechnology. Graphyne is better than graphene in directional electronic properties and charge carriers. With a band gap and magnetism, graphone and graphane show important applications in nanoelectronics and spintronics. Because these materials are close to graphene and will play important roles in carbon-based electronic devices, they deserve further, careful, and thorough studies for nanotechnology applications.

  20. Synthesis, toxicity, biocompatibility, and biomedical applications of graphene and graphene-related materials

    Directory of Open Access Journals (Sweden)

    Gurunathan S

    2016-05-01

    Full Text Available Sangiliyandi Gurunathan, Jin-Hoi Kim Stem Cell and Regenerative Biology, Konkuk University, Seoul, Republic of Korea Abstract: Graphene is a two-dimensional atomic crystal, and since its development it has been applied in many novel ways in both research and industry. Graphene possesses unique properties, and it has been used in many applications including sensors, batteries, fuel cells, supercapacitors, transistors, components of high-strength machinery, and display screens in mobile devices. In the past decade, the biomedical applications of graphene have attracted much interest. Graphene has been reported to have antibacterial, antiplatelet, and anticancer activities. Several salient features of graphene make it a potential candidate for biological and biomedical applications. The synthesis, toxicity, biocompatibility, and biomedical applications of graphene are fundamental issues that require thorough investigation in any kind of applications related to human welfare. Therefore, this review addresses the various methods available for the synthesis of graphene, with special reference to biological synthesis, and highlights the biological applications of graphene with a focus on cancer therapy, drug delivery, bio-imaging, and tissue engineering, together with a brief discussion of the challenges and future perspectives of graphene. We hope to provide a comprehensive review of the latest progress in research on graphene, from synthesis to applications. Keywords: biomedical applications, cancer therapy, drug delivery, graphene, graphene-related materials, tissue engineering, toxicity 

  1. Simulation, design and proof-of-concept of a two-stage continuous hydrothermal flow synthesis reactor for synthesis of functionalized nano-sized inorganic composite materials

    DEFF Research Database (Denmark)

    Zielke, Philipp; Xu, Yu; Simonsen, Søren Bredmose

    2016-01-01

    Computational fluid dynamics simulations were employed to evaluate several mixer geometries for a novel two-stage continuous hydrothermal flow synthesis reactor. The addition of a second stage holds the promise of allowing the synthesis of functionalized nano-materials as for example core......-shell or decorated particles. Based on the simulation results, a reactor system employing a confined jet mixer in the first and a counter-flow mixer in the second stage was designed and built. The two-stage functionality and synthesis capacity is shown on the example of single- and two-stage syntheses of pure...

  2. Antidiabetic dietary materials and animal models.

    Science.gov (United States)

    Wang, Sunan; Zhu, Fan

    2016-07-01

    The ever-increasing occurrence of diabetes worldwide demands cost-effective anti-diabetic strategies. Food-based materials have great potential as efficient anti-diabetic agents. Focusing on the literatures of the recent 5years, this review summarizes the methods, findings, and limitations of each research involving non-medicinal foods (individual and mixed) and diabetic animal models. Various types of fruits, vegetables, legumes, cereals, spices, beverages, oilseeds, and edible oils showed antidiabetic effects in different animal models. Animal feeding trials rarely had identical designs in food doses, feeding schedules, and routes of administration, as well as biochemical markers for antidiabetic evaluation. Various possible cellular and metabolic targets were speculated for the anti-hyperglycemic effects of the dietary materials, and the molecular mechanisms of action remain to be better explored. Short-term (maximum 16weeks) antidiabetic studies have been established. Limited safety/tolerability data are available for antidiabetic dietary materials. Findings from current animal studies present a generic antidiabetic dietary pattern associated with plant-based whole foods, which agrees well with the findings of epidemiological studies. Copyright © 2016 Elsevier Ltd. All rights reserved.

  3. Synthesis and characterizaton of inorganic materials for sodium-ion batteries

    Science.gov (United States)

    Shanmugam, Rengarajan

    Development of low-cost energy storage devices is critical for wide-scale implementation of intermittent renewable energy technologies and improving the electricity grid. Commercial devices remain prohibitively expensive or lack the performance specifications for a wider market reach. Na-ion batteries would perfectly suited for these large-scale applications as the raw materials (such as soda ash, salt, etc.) are plentiful, inexpensive and geographically unconstrained. However, extensive materials research on insertion electrodes is required for better understanding of the electrochemical and structural properties and engineering high performance Na-ion batteries. This thesis research involves exploratory study on new insertion materials with various crystallographic structure-types and extensive characterization of promising new inorganic compositions. Tunnel-type materials, sodium nickel phosphate-Na4Ni7(PO4)6, and sodium cobalt titanate- Na0.8Co0.4Ti1.6O4, were investigated to capitalize on the intrinsic structural stability offered by framework materials. Sol-gel and solid-state reaction synthetic techniques were employed for inorganic powder synthesis. Galvanostatic and potentiostatic testing confirm reversible sodium insertion/de-insertion reactions albeit with inadequate electrochemical characteristics (high voltage hysteresis> 1V). Subsequent efforts involved investigating layer-structured materials supporting fast ionic transport for better electrochemical performance. P2-sodium nickel titanate, Na2/3[Ni1/3Ti2/3]O2 (P2NT), with prismatic sodium co-ordination, was synthesized by solid-state technique. The 'bifunctional' oxide contains Ni2+/4+ and Ti4+/3+ redox couples with redox potentials of 3.6 V, 0.7 V vs. Na/Na+, respectively. This bifunctional approach would simplify electrode processing and provide cost reduction opportunities in battery manufacturing. The structural changes monitored using ex-situ XRD demonstrate a favorably broad solid

  4. A Statistical Model for Synthesis of Detailed Facial Geometry

    OpenAIRE

    Golovinskiy, Aleksey; Matusik, Wojciech; Pfister, Hanspeter; Rusinkiewicz, Szymon; Funkhouser, Thomas

    2006-01-01

    Detailed surface geometry contributes greatly to the visual realism of 3D face models. However, acquiring high-resolution face geometry is often tedious and expensive. Consequently, most face models used in games, virtual reality, or computer vision look unrealistically smooth. In this paper, we introduce a new statistical technique for the analysis and synthesis of small three-dimensional facial features, such as wrinkles and pores. We acquire high-resolution face geometry for people across ...

  5. Synthesis of functional materials by radiation and qualification testing of organic materials in nuclear power plant

    International Nuclear Information System (INIS)

    Nho, Young Chang; Kim, Ki Yup; Kang, Phil Hyun and others; Jun, Hong Jae; Suh, Dong Hak; Lee, Young Moo; Min, Byung Kak; Bae, You Han

    2003-05-01

    The radiation crosslinking and grafting can be easily adjusted and is easily reproducible by controlling the radiation dose. These studies aim to develop new biomaterials such as covering for burns and wound, and controlled release of drug. A radiation technology was used to develop PTC materials useful in devices that limit electric fault currents. Radiation-curing of fiber-matrix composites is a promising application. There are a number of advantages to radiation curing of composites, compared with conventional thermal processing. Radiation curing at ambient temperature allows tighter control of part dimensions, and elimination of internal stresses which otherwise occur on cooling and which reduce material strength. These studies involved radiation curing of epoxy resins with various fibers and filler for structural application for aerospace and sport goods. The chain scission is the basis of other radiation treatments aimed at enhancing processing characteristics of polymers. These studies aim to make PTFE powder from PTFE scrap using the radiation degradation which allows incorporation of the material into coatings, inks etc. Low density polyethylene, crosslinked polyethylene, ethylene propylene rubber, and acrylonitrile butadiene rubber as cable insulating, seathing and sealing materials were irradiated for the accelerated ageing tests. Degradation was investigated by measuring dielectric analysis, thermogravimetric analysis, and dynamic mechanical analysis. Dielectric tanδ, storage modulus and loss modulus were increased with irradiation doses. However, decomposition temperature decreased with irradiation doses

  6. Development of a poly(dimethylacrylamide) based matrix material for solid phase high density peptide array synthesis employing a laser based material transfer

    Energy Technology Data Exchange (ETDEWEB)

    Ridder, Barbara [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Foertsch, Tobias C. [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Welle, Alexander [Karlsruhe Nano Micro Facility (KNMF), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Mattes, Daniela S. [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Bojnicic-Kninski, Clemens M. von; Loeffler, Felix F.; Nesterov-Mueller, Alexander [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Meier, Michael A.R., E-mail: m.a.r.meier@kit.edu [Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Breitling, Frank, E-mail: frank.breitling@kit.edu [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)

    2016-12-15

    Highlights: • New matrix material for peptide array synthesis from a ‘solid solvent’. • Resolution was increased with possible spot densities of up to 20.000 spots per cm{sup 2}. • The coupling depth and the effectiveness of washing steps analyzed by ToF-SIMS. • Adaptations and custom changes of the matrix material are possible. - Abstract: Poly(dimethylacrylamide) (PDMA) based matrix materials were developed for laser-based in situ solid phase peptide synthesis to produce high density arrays. In this specific array synthesis approach, amino acid derivatives are embedded into a matrix material, serving as a “solid” solvent material at room temperature. Then, a laser pulse transfers this mixture to the target position on a synthesis slide, where the peptide array is synthesized. Upon heating above the glass transition temperature of the matrix material, it softens, allowing diffusion of the amino acid derivatives to the synthesis surface and serving as a solvent for peptide bond formation. Here, we synthesized PDMA six-arm star polymers, offering the desired matrix material properties, using atom transfer radical polymerization. With the synthesized polymers as matrix material, we structured and synthesized arrays with combinatorial laser transfer. With densities of up to 20,000 peptide spots per cm{sup 2}, the resolution could be increased compared to the commercially available standard matrix material. Time-of-Flight Secondary Ion Mass Spectrometry experiments revealed the penetration behavior of an amino acid derivative into the prepared acceptor synthesis surface and the effectiveness of the washing protocols.

  7. Spectroscopic characterizations of a mixed surfactant mesophase and its application in materials synthesis

    Science.gov (United States)

    Liu, Limin

    A viscous lyotropic crystalline mesophase containing bis (2-ethylhexyl) sodium sulfosuccinate (AOT), alpha-phosphatidylcholine (lecithin), with comparable volume fractions of isooctane and water was characterized by Fourier-transform 31P and 1H nuclear magnetic resonance (NMR) spectroscopy. Shear alignment on the reverse hexagonal mesophase was reflected through both 31P NMR and 1H NMR spectra. A complicated 31P spectrum was observed as a result of superposition of chemical shifts according to the distribution of crystalline domains prior to shear. The initially disordered samples with polydomain structures became macroscopically aligned after Couette shear and the alignment retained for a long period of time. 31P NMR chemical shift anisotropy characteristics were used to elucidate orientation of the hexagonal phase. Interestingly, 1H NMR of the water, methyl and methylene groups exhibited spectral changes upon shear alignment closely corresponding with that of 31P NMR spectra. A reverse hexagonal to lamellar phase transition was manifested as an expanding of the expressed 31P NMR chemical shift anisotropy and an apparent reversal of the powder pattern with increasing water content and/or temperature. Correspondingly, 1H NMR spectra also experienced a spectral pattern transition as the water content or temperature was increased. These observations complement the findings of mesophase alignment obtained using small angle neutron scattering (SANS) and imply that 31P and 1H NMR spectroscopy can be used as probes to define microstructure and monitor orientation changes in this binary surfactant system. This is especially beneficial if these mesophases are used as templates for materials synthesis. The mesophase retains its alignment for extended periods allowing materials synthesis to be decoupled from the application of shear. Highly aligned string-like silica nanostructures were obtained through templated synthesis in the columnar hexagonal structure of the viscous

  8. Coupled finite element modeling of piezothermoelastic materials

    Science.gov (United States)

    Senousy, M. S.; Rajapakse, R. K. N. D.; Gadala, M.

    2007-04-01

    The governing equations of piezo-thermoelastic materials show full coupling between mechanical, electric, and temperature fields. It is often assumed in the literature that in high-frequency oscillations, the coupling between the temperature and mechanical displacement and electric field is small and, therefore, can be neglected. A solution for the temperature field is then determined from an uncoupled equation. A finite element (FE) model that accounts for full coupling between the mechanical, electric, and thermal fields, nonlinear constitutive behavior and heat generation resulting from dielectric losses under alternating driving fields is under development. This paper presents a linear fully coupled model as an early development of the fully coupled nonlinear FE model. In the linear model, a solution for all field variables is obtained simultaneously and compared with the uncoupled solution. The finite element model is based on the weighted-residual principle and uses 2-D four-node isoparametric finite elements with four degrees of freedom per node. A thin piezoelectric square disk is modeled to obtain some preliminary understanding of the coupled fields in a piezoelectric stack actuator.

  9. Recent Advances in Two-Dimensional Materials with Charge Density Waves: Synthesis, Characterization and Applications

    Directory of Open Access Journals (Sweden)

    Mongur Hossain

    2017-10-01

    Full Text Available Recently, two-dimensional (2D charge density wave (CDW materials have attracted extensive interest due to potential applications as high performance functional nanomaterials. As other 2D materials, 2D CDW materials are layered materials with strong in-plane bonding and weak out-of-plane interactions enabling exfoliation into layers of single unit cell thickness. Although bulk CDW materials have been studied for decades, recent developments in nanoscale characterization and device fabrication have opened up new opportunities allowing applications such as oscillators, electrodes in supercapacitors, energy storage and conversion, sensors and spinelectronic devices. In this review, we first outline the synthesis techniques of 2D CDW materials including mechanical exfoliation, liquid exfoliation, chemical vapor transport (CVT, chemical vapor deposition (CVD, molecular beam epitaxy (MBE and electrochemical exfoliation. Then, the characterization procedure of the 2D CDW materials such as temperature-dependent Raman spectroscopy, temperature-dependent resistivity, magnetic susceptibility and scanning tunneling microscopy (STM are reviewed. Finally, applications of 2D CDW materials are reviewed.

  10. Device and materials modeling in PEM fuel cells

    National Research Council Canada - National Science Library

    Paddison, Stephen J; Promislow, Keith

    2009-01-01

    .... Materials modeling include subjects relating to the membrane and the catalyst such as proton conduction, atomistic structural modeling, quantum molecular dynamics, and molecular-level modeling...

  11. Synthesis and application of p-tert-butylcalix[8]arene immobilized material for the removal of azo dyes.

    Science.gov (United States)

    Kamboh, Muhammad Afzal; Solangi, Imam Bakhsh; Sherazi, S T H; Memon, Shahabuddin

    2011-02-15

    The present study describes synthesis of a new resin through immobilization of p-tert-butylcalix[8]arene onto silica and its application for the removal of azo dyes from aqueous media as well as from textile effluents. The newly synthesized material 4 is characterized by FT-IR spectroscopy, scanning electron microscope (SEM) and thermogravimetric analysis (TGA). Reactive Black-5 (RB-5) and Reactive Red-45 (RR-45) azo dyes were used as sorbate. Batch wise sorption experiments were conducted to optimize various experimental parameters such as the effect of sorbent dosage, electrolyte, pH, dye concentration, and contact time. The optimized pH for the effective removal of RB-5 and RR-45 dyes was 9 and 3, respectively. The increase in material 4 dosage increased the percent sorption. Both Langmuir and Freundlich isotherm models were applied to experimental data and Langmuir isotherm model found to be best fit. The results revealed that material 4 was potentially more effective sorbent for the sorption of selected azo dyes as compared to pure silica and p-tert-butylcalix[8]arene. The field studies also supported the effectiveness of material 4, which could be useful for the removal of both the dyes and also for the normalization of pH, TDS, conductivity and salinity near to the drinking water. Copyright © 2010 Elsevier B.V. All rights reserved.

  12. Ion beams provided by small accelerators for material synthesis and characterization

    Science.gov (United States)

    Mackova, Anna; Havranek, Vladimir

    2017-06-01

    The compact, multipurpose electrostatic tandem accelerators are extensively used for production of ion beams with energies in the range from 400 keV to 24 MeV of almost all elements of the periodic system for the trace element analysis by means of nuclear analytical methods. The ion beams produced by small accelerators have a broad application, mainly for material characterization (Rutherford Back-Scattering spectrometry, Particle Induced X ray Emission analysis, Nuclear Reaction Analysis and Ion-Microprobe with 1 μm lateral resolution among others) and for high-energy implantation. Material research belongs to traditionally progressive fields of technology. Due to the continuous miniaturization, the underlying structures are far beyond the analytical limits of the most conventional methods. Ion Beam Analysis (IBA) techniques provide this possibility as they use probes of similar or much smaller dimensions (particles, radiation). Ion beams can be used for the synthesis of new progressive functional nanomaterials for optics, electronics and other applications. Ion beams are extensively used in studies of the fundamental energetic ion interaction with matter as well as in the novel nanostructure synthesis using ion beam irradiation in various amorphous and crystalline materials in order to get structures with extraordinary functional properties. IBA methods serve for investigation of materials coming from material research, industry, micro- and nano-technology, electronics, optics and laser technology, chemical, biological and environmental investigation in general. Main research directions in laboratories employing small accelerators are also the preparation and characterization of micro- and nano-structured materials which are of interest for basic and oriented research in material science, and various studies of biological, geological, environmental and cultural heritage artefacts are provided too.

  13. Contingencies and metacontingencies: Toward a synthesis of behavior analysis and cultural materialism

    Science.gov (United States)

    Glenn, Sigrid S.

    1988-01-01

    A synthesis of cultural materialism and behavior analysis might increase the scientific and technological value of both fields. Conceptual and substantive relations between the two fields show important similarities, particularly with regard to the causal role of the environment in behavioral and cultural evolution. Key concepts in Marvin Harris's cultural materialist theories are outlined. A distinction is made between contingencies at the behavioral level of analysis (contingencies of reinforcement) and contingencies at the cultural level of analysis (metacontingencies). Relations between the two kinds of contingencies are explored in cultural practices from paleolithic to industrial sociocultural systems. A synthesis of these two fields may offer the opportunity to resolve serious problems currently facing modern cultures. PMID:22478011

  14. Romp: The Method of Choice for Precise Macromolecular Engineering and Synthesis of Smart Materials

    Science.gov (United States)

    Khosravi, Ezat; Castle, Thomas C.; Kujawa, Margaret; Leejarkpai, Jan; Hutchings, Lian R.; Hine, Peter J.

    The recent advances in olefin metathesis highlight the impact of Ring Opening Metathesis Polymerisation (ROMP) as a powerful technique for macromolecular engineering and synthesis of smart materials with well-defined structures. ROMP has attracted a considerable research attention recently particularly by industry largely due to the development of well-defined metal complexes as initiators and also because of the award of the Noble Prize for Chemistry in 2005 to three scientists (Chauvin, Grubbs, Schrock) for their contributions in this area. This chapter discusses several interesting examples in order to demonstrate that ROMP is a power tool in macromolecular engineering and that it allows the design and synthesis of polymers with novel topologies.

  15. Green Synthesis of Hierarchically Porous Carbon Nanotubes as Advanced Materials for High-Efficient Energy Storage.

    Science.gov (United States)

    Wang, Jian-Gan; Liu, Hongzhen; Zhang, Xingyuan; Li, Xu; Liu, Xingrui; Kang, Feiyu

    2018-02-05

    Hierarchically porous carbon nanomaterials with well-defined architecture can afford a promising platform for effectively addressing energy and environmental concerns. Herein, a totally green and straightforward synthesis strategy for the fabrication of hierarchically porous carbon nanotubes (HPCNTs) by a simple carbonization treatment without any assistance of soft/hard templates and activation procedures is demonstrated. A high specific surface area of 1419 m 2 g -1 and hierarchical micro-/meso-/macroporosity can be achieved for the HPCNTs. The unique porous architecture enables the HPCNTs serving as excellent electrode/host materials for high-performance supercapacitors and Li-sulfur batteries. The design strategy may pave a new avenue for the rational synthesis of hierarchically porous carbon nanostructures for high-efficient energy storage applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Precision Synthesis of Functional Polysaccharide Materials by Phosphorylase-Catalyzed Enzymatic Reactions

    Directory of Open Access Journals (Sweden)

    Jun-ichi Kadokawa

    2016-04-01

    Full Text Available In this review article, the precise synthesis of functional polysaccharide materials using phosphorylase-catalyzed enzymatic reactions is presented. This particular enzymatic approach has been identified as a powerful tool in preparing well-defined polysaccharide materials. Phosphorylase is an enzyme that has been employed in the synthesis of pure amylose with a precisely controlled structure. Similarly, using a phosphorylase-catalyzed enzymatic polymerization, the chemoenzymatic synthesis of amylose-grafted heteropolysaccharides containing different main-chain polysaccharide structures (e.g., chitin/chitosan, cellulose, alginate, xanthan gum, and carboxymethyl cellulose was achieved. Amylose-based block, star, and branched polymeric materials have also been prepared using this enzymatic polymerization. Since phosphorylase shows a loose specificity for the recognition of substrates, different sugar residues have been introduced to the non-reducing ends of maltooligosaccharides by phosphorylase-catalyzed glycosylations using analog substrates such as α-d-glucuronic acid and α-d-glucosamine 1-phosphates. By means of such reactions, an amphoteric glycogen and its corresponding hydrogel were successfully prepared. Thermostable phosphorylase was able to tolerate a greater variance in the substrate structures with respect to recognition than potato phosphorylase, and as a result, the enzymatic polymerization of α-d-glucosamine 1-phosphate to produce a chitosan stereoisomer was carried out using this enzyme catalyst, which was then subsequently converted to the chitin stereoisomer by N-acetylation. Amylose supramolecular inclusion complexes with polymeric guests were obtained when the phosphorylase-catalyzed enzymatic polymerization was conducted in the presence of the guest polymers. Since the structure of this polymeric system is similar to the way that a plant vine twines around a rod, this polymerization system has been named

  17. Management Model Applicable to Metallic Materials Industry

    Directory of Open Access Journals (Sweden)

    Adrian Ioana

    2013-02-01

    Full Text Available This paper presents an algorithmic analysis of the marketing mix in metallurgy. It also analyzes the main correlations and their optimizing possibilities through an efficient management. Thus, both the effect and the importance of the marketing mix, for components (the four “P-s” areanalyzed in the materials’ industry, but their correlations as well, with the goal to optimize the specific management. There are briefly presented the main correlations between the 4 marketing mix components (the 4 “P-s” for a product within the materials’ industry, including aspects regarding specific management.Keywords: Management Model, Materials Industry, Marketing Mix, Correlations.

  18. Superficial tension: experimental model with simple materials

    Directory of Open Access Journals (Sweden)

    Tintori Ferreira, María Alejandra

    2012-09-01

    Full Text Available In this work appears a didactic offer based on an experimental activity using materials of very low cost, orientated to achieving that the student understand and interpret the phenomenon of superficial tension together with the importance of the modeling in sciences. It has as principal aim of education bring the student over to the mechanics of the static fluids and the intermolecular forces, combining scientific contents with questions near to the student what provides an additional motivation to the reflection of the scientific investigation.

  19. RF building block modeling: optimization and synthesis

    NARCIS (Netherlands)

    Cheng, W.

    2012-01-01

    For circuit designers it is desirable to have relatively simple RF circuit models that do give decent estimation accuracy and provide sufficient understanding of circuits. Chapter 2 in this thesis shows a general weak nonlinearity model that meets these demands. Using a method that is related to

  20. Modeling and synthesis of strong ground motion

    Indian Academy of Sciences (India)

    Numerical examples are shown for illustration by taking Kutch earthquake-2001 as a case study. 1. ... Ground motion; source mechanism models; empirical Green's functions; seismological models; Kutch earthquake. J. Earth Syst. Sci. 117 ..... hybrid global search method which is a combi- nation of simulated annealing and ...

  1. PETRA. The Forecast Model. Synthesis report

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-09-01

    The aim of the PETRA project was to develop a model that could recreate the main aspects involved in the demand for travel. The attainment of this objective requires that the model system should retain a high degree of detail and be based on disaggregate models. This was both to ensure an accurate representation of the underlying behavioural intentions, and allow analysis of the underlying travel demand and related aspects across a number of dimensions. This has been achieved in all main respects. The model system is capable of close reproduction of the observed behaviour and generally responds as expected to changes, exhibiting consistent and plausible reactions. The dis-aggregation of the forecast population, according to the various criteria, allows the model to clearly illustrates the behavioural differences between different population segments. Thus, it seems reasonable to conclude that PETRA is capable of detailed analyses of the distributional and behavioural effects of policy changes. (au) EFP-94. 20 refs.

  2. Geochemistry Model Validation Report: Material Degradation and Release Model

    Energy Technology Data Exchange (ETDEWEB)

    H. Stockman

    2001-09-28

    The purpose of this Analysis and Modeling Report (AMR) is to validate the Material Degradation and Release (MDR) model that predicts degradation and release of radionuclides from a degrading waste package (WP) in the potential monitored geologic repository at Yucca Mountain. This AMR is prepared according to ''Technical Work Plan for: Waste Package Design Description for LA'' (Ref. 17). The intended use of the MDR model is to estimate the long-term geochemical behavior of waste packages (WPs) containing U. S . Department of Energy (DOE) Spent Nuclear Fuel (SNF) codisposed with High Level Waste (HLW) glass, commercial SNF, and Immobilized Plutonium Ceramic (Pu-ceramic) codisposed with HLW glass. The model is intended to predict (1) the extent to which criticality control material, such as gadolinium (Gd), will remain in the WP after corrosion of the initial WP, (2) the extent to which fissile Pu and uranium (U) will be carried out of the degraded WP by infiltrating water, and (3) the chemical composition and amounts of minerals and other solids left in the WP. The results of the model are intended for use in criticality calculations. The scope of the model validation report is to (1) describe the MDR model, and (2) compare the modeling results with experimental studies. A test case based on a degrading Pu-ceramic WP is provided to help explain the model. This model does not directly feed the assessment of system performance. The output from this model is used by several other models, such as the configuration generator, criticality, and criticality consequence models, prior to the evaluation of system performance. This document has been prepared according to AP-3.10Q, ''Analyses and Models'' (Ref. 2), and prepared in accordance with the technical work plan (Ref. 17).

  3. Geochemistry Model Validation Report: Material Degradation and Release Model

    International Nuclear Information System (INIS)

    Stockman, H.

    2001-01-01

    The purpose of this Analysis and Modeling Report (AMR) is to validate the Material Degradation and Release (MDR) model that predicts degradation and release of radionuclides from a degrading waste package (WP) in the potential monitored geologic repository at Yucca Mountain. This AMR is prepared according to ''Technical Work Plan for: Waste Package Design Description for LA'' (Ref. 17). The intended use of the MDR model is to estimate the long-term geochemical behavior of waste packages (WPs) containing U. S . Department of Energy (DOE) Spent Nuclear Fuel (SNF) codisposed with High Level Waste (HLW) glass, commercial SNF, and Immobilized Plutonium Ceramic (Pu-ceramic) codisposed with HLW glass. The model is intended to predict (1) the extent to which criticality control material, such as gadolinium (Gd), will remain in the WP after corrosion of the initial WP, (2) the extent to which fissile Pu and uranium (U) will be carried out of the degraded WP by infiltrating water, and (3) the chemical composition and amounts of minerals and other solids left in the WP. The results of the model are intended for use in criticality calculations. The scope of the model validation report is to (1) describe the MDR model, and (2) compare the modeling results with experimental studies. A test case based on a degrading Pu-ceramic WP is provided to help explain the model. This model does not directly feed the assessment of system performance. The output from this model is used by several other models, such as the configuration generator, criticality, and criticality consequence models, prior to the evaluation of system performance. This document has been prepared according to AP-3.10Q, ''Analyses and Models'' (Ref. 2), and prepared in accordance with the technical work plan (Ref. 17)

  4. One-Step Facile Synthesis of a Simple Hole Transport Material for Efficient Perovskite Solar Cells

    KAUST Repository

    Chen, Hu

    2016-04-04

    A hole transporting material was designed for use in perovskite solar cells, with a facile one-step synthesis from inexpensive, com-mercially available reagents. The molecule comprises a central fluorinated phenyl core with pendant aryl amines, namely, 3,6-difluoro-N1,N1,N2,N2,N4,N4,N5,N5-octakis(4-methoxyphenyl)benzene-1,2,4,5-tetraamine (DFTAB). A power conversion efficiency of up to 10.4% was achieved in a mesoporous perovskite device architecture. The merits of a simple and potentially low cost syn-thetic route as well as promising performance in perovskite devices, encourages further development of this materials class as new low-cost hole transporting materials for the scale up of perovskite solar cells.

  5. New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology

    Science.gov (United States)

    Peng, Qing; Dearden, Albert K; Crean, Jared; Han, Liang; Liu, Sheng; Wen, Xiaodong; De, Suvranu

    2014-01-01

    Plenty of new two-dimensional materials including graphyne, graphdiyne, graphone, and graphane have been proposed and unveiled after the discovery of the “wonder material” graphene. Graphyne and graphdiyne are two-dimensional carbon allotropes of graphene with honeycomb structures. Graphone and graphane are hydrogenated derivatives of graphene. The advanced and unique properties of these new materials make them highly promising for applications in next generation nanoelectronics. Here, we briefly review their properties, including structural, mechanical, physical, and chemical properties, as well as their synthesis and applications in nanotechnology. Graphyne is better than graphene in directional electronic properties and charge carriers. With a band gap and magnetism, graphone and graphane show important applications in nanoelectronics and spintronics. Because these materials are close to graphene and will play important roles in carbon-based electronic devices, they deserve further, careful, and thorough studies for nanotechnology applications. PMID:24808721

  6. Synthesis of mesoporous silica materials from municipal solid waste incinerator bottom ash.

    Science.gov (United States)

    Liu, Zhen-Shu; Li, Wen-Kai; Huang, Chun-Yi

    2014-05-01

    Incinerator bottom ash contains a large amount of silica and can hence be used as a silica source for the synthesis of mesoporous silica materials. In this study, the conditions for alkaline fusion to extract silica from incinerator bottom ash were investigated, and the resulting supernatant solution was used as the silica source for synthesizing mesoporous silica materials. The physical and chemical characteristics of the mesoporous silica materials were analyzed using BET, XRD, FTIR, SEM, and solid-state NMR. The results indicated that the BET surface area and pore size distribution of the synthesized silica materials were 992 m2/g and 2-3.8 nm, respectively. The XRD patterns showed that the synthesized materials exhibited a hexagonal pore structure with a smaller order. The NMR spectra of the synthesized materials exhibited three peaks, corresponding to Q(2) [Si(OSi)2(OH)2], Q(3) [Si(OSi)3(OH)], and Q(4) [Si(OSi)4]. The FTIR spectra confirmed the existence of a surface hydroxyl group and the occurrence of symmetric Si-O stretching. Thus, mesoporous silica was successfully synthesized from incinerator bottom ash. Finally, the effectiveness of the synthesized silica in removing heavy metals (Pb2+, Cu2+, Cd2+, and Cr2+) from aqueous solutions was also determined. The results showed that the silica materials synthesized from incinerator bottom ash have potential for use as an adsorbent for the removal of heavy metals from aqueous solutions. Copyright © 2014 Elsevier Ltd. All rights reserved.

  7. Synthesis of High-Purity alpha-and beta-PbO and Possible Applications to Synthesis and Processing of Other Lead Oxide Materials

    Energy Technology Data Exchange (ETDEWEB)

    Perry, Dale L.; Wilkinson, T. J.

    2009-11-12

    The red, tetragonal form of lead oxide, alpha-PbO, litharge, and the yellow, orthorhombic form, beta-PbO, massicot, have been synthesized from lead(II) salts in aqueous media at elevated temperature. Scanning electron microscopy (SEM) and X-ray diffraction (XRD) were used to characterize the size, morphology, and crystallographic structural forms of the products. The role of impurities in the experimental synthesis of the materials and microstructural variations in the final products are described, and the implications of these observations with respect to the synthesis of different conducting lead oxides and other related materials are discussed.

  8. Cathode materials produced by spray flame synthesis for lithium ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Hamid, NoorAshrina Binti A.

    2013-07-03

    Lithium ion batteries are one of the most enthralling rechargeable energy storage systems for portable application due to their high energy density. Nevertheless, with respect to electromobility innovation towards better electrochemical properties such as higher energy and power density is required. Altering the cathode material used in Li-ion batteries is favorable since the mass- and volume performance is closely related to the cathode electrode mass. Instead of using LiCoO{sub 2} as cathode electrode, LiFePO{sub 4} has gained serious attention as this material owns a high theoretical capacity of 170 mAh g{sup -1}. It is non-toxic, cheap and consists of abundant materials but suffers from low electronic and ionic conductivity. Utilization of nanotechnology methods in combination with composite formation is known to cure this problem effectively. In this work, a new combination of techniques using highly scalable gas-phase synthesis namely spray-flame synthesis and subsequent solid-state reaction has been used to synthesize nanocomposite LiFePO{sub 4}/C. At first this work deals with the formation and characterization of nanosize FePO{sub 4} from a solution of iron(III)acetylacetonate and tributyl phosphate in toluene using spray-flame synthesis. It was shown that a subsequent solid state reaction with Li{sub 2}CO{sub 3} and glucose yielded a LiFePO{sub 4}/C nanocomposite with very promising electrochemical properties. Based on these initial findings the influence of two synthesis parameter - carbon content and annealing temperature - was investigated towards the physicochemical properties of LiFePO{sub 4}/C. It was shown that an annealing temperature of 700 C leads to high purity composite materials consisting of crystalline LiFePO{sub 4} with crystallite sizes well below 100 nm and amorphous carbon consisting of disordered and graphite-like carbon. Variation of glucose amount between 10 and 30 wt% resulted in carbon contents between 2.1 and 7.3 wt%. In parallel

  9. Voice Quality Modelling for Expressive Speech Synthesis

    Directory of Open Access Journals (Sweden)

    Carlos Monzo

    2014-01-01

    Full Text Available This paper presents the perceptual experiments that were carried out in order to validate the methodology of transforming expressive speech styles using voice quality (VoQ parameters modelling, along with the well-known prosody (F0, duration, and energy, from a neutral style into a number of expressive ones. The main goal was to validate the usefulness of VoQ in the enhancement of expressive synthetic speech in terms of speech quality and style identification. A harmonic plus noise model (HNM was used to modify VoQ and prosodic parameters that were extracted from an expressive speech corpus. Perception test results indicated the improvement of obtained expressive speech styles using VoQ modelling along with prosodic characteristics.

  10. On the chemical synthesis route to bulk-scale skutterudite materials

    DEFF Research Database (Denmark)

    Tafti, Mohsen Y.; Saleemi, Mohsin; Han, Li

    2016-01-01

    intimately mixed alloy compared to the conventional melting and metallurgical processes. The proposed method consists of a fast and low-temperature processing step followed by a thermochemical post-processing step, compared to the conventional methods of fabricating skutterudites, which require high...... temperatures and long processing times. Several structural characterization techniques were used to assess the mechanism of synthesis, verify the purity of the material as well as the reproducibility of the process. Detailed analysis and results are presented in support of the proposed process. Additionally...

  11. Applications of Continuous-Flow Photochemistry in Organic Synthesis, Material Science, and Water Treatment.

    Science.gov (United States)

    Cambié, Dario; Bottecchia, Cecilia; Straathof, Natan J W; Hessel, Volker; Noël, Timothy

    2016-09-14

    Continuous-flow photochemistry in microreactors receives a lot of attention from researchers in academia and industry as this technology provides reduced reaction times, higher selectivities, straightforward scalability, and the possibility to safely use hazardous intermediates and gaseous reactants. In this review, an up-to-date overview is given of photochemical transformations in continuous-flow reactors, including applications in organic synthesis, material science, and water treatment. In addition, the advantages of continuous-flow photochemistry are pointed out and a thorough comparison with batch processing is presented.

  12. Sound Synthesis of Objects Swinging through Air Using Physical Models

    Directory of Open Access Journals (Sweden)

    Rod Selfridge

    2017-11-01

    Full Text Available A real-time physically-derived sound synthesis model is presented that replicates the sounds generated as an object swings through the air. Equations obtained from fluid dynamics are used to determine the sounds generated while exposing practical parameters for a user or game engine to vary. Listening tests reveal that for the majority of objects modelled, participants rated the sounds from our model as plausible as actual recordings. The sword sound effect performed worse than others, and it is speculated that one cause may be linked to the difference between expectations of a sound and the actual sound for a given object.

  13. Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling

    Directory of Open Access Journals (Sweden)

    Nour E. A. Abdel-Sattar

    2017-01-01

    Full Text Available This paper reports on the synthesis of new thiazole derivatives that could be profitably exploited in medical treatment of tumors. Molecular electronic structures have been modeled within density function theory (DFT framework. Reactivity indices obtained from the frontier orbital energies as well as electrostatic potential energy maps are discussed and correlated with the molecular structure. X-ray crystallographic data of one of the new compounds is measured and used to support and verify the theoretical results.

  14. Synthesis and characterization of COLL-PVA/HA hybrid materials with stratified morphology.

    Science.gov (United States)

    Ficai, Maria; Andronescu, Ecaterina; Ficai, Denisa; Voicu, Georgeta; Ficai, Anton

    2010-12-01

    This work presents the synthesis of two hybrid materials: collagen (COLL)-polyvinyl alcohol (PVA) (1:2 wt) and collagen-polyvinyl alcohol/hydroxyapatite (HA) (1:2:3 wt). Starting from the above compositions, different kinds of composites were obtained based on the drying methods: controlled drying at 30°C and freeze drying. The materials were analysed by X-ray diffraction (XRD), Fourier transform infrared microscopy (FTIR) and scanning electron microscopy (SEM) as well as by measuring the density, porosity and absorption of xylene for each sample by Arthur method. Based on the SEM images, the freeze drying and the controlled drying could be clearly concluded to lead to porous and dense COLL-PVA/HA hybrid materials, respectively. Such materials have exhibited a stratified morphology, the distance between sheets increasing with the increase of the organic components content. Based on the literature data, the obtained COLL-PVA/HA composite materials are valuable bone grafts materials and drug delivery systems. Copyright © 2010 Elsevier B.V. All rights reserved.

  15. 3D printing technology using high viscous materials - Synthesis of functional materials and fabrication of 3D metal structure

    Science.gov (United States)

    Hong, Seongik

    In the 3D printing technology, the research for using various materials has been performing. In this research work, 3D printable high viscous materials are suggested as one of the solutions for problems in the traditional 3D printing technology. First, Cu-Ag coreshell was synthesized as a functional material. In terms of the reaction rate, reaction rate limiting step was defined as a fundamental research, and then prepared Cu-Ag coreshell was printed and analyzed. Second, the high viscous Cu paste was prepared and then metal 3D printed structure was fabricated by using new printing method. In the synthesis of Cu-Ag coreshell, different sizes of Cu particle, 2μm and 100nm were used, and when 2μm Cu was applied, the reaction rate was limited by film diffusion control. However, when 100nm Cu was applied, reaction rate was controlled by CuO film and the rate of the reaction, which includes removing CuO film in the solution, is limited by chemical reaction control. The shape of Cu-Ag particle is spherical in the 2μm Cu condition and dendrite shape in the 100nm Cu condition respectively. The conductivity of Cu-Ag coreshell paste increased as increasing content of coreshell particle in the paste and sintering temperature. In order to print high viscous metal paste, the high viscous Cu paste was printed by using screw extruder, and the viscosity of Cu paste was measured as a fundamental research. As increasing wt.% of Cu in the paste, the viscosity also increased. In addition, the shrinkage factor was reduced by increasing wt.% of Cu in the paste. An optimized printing condition for the high viscous material was obtained, and by using this condition, 3D metal structure was fabricated. The final product was heat treated and polished. Through these processes, a fine quality of metal 3D structure was printed.

  16. New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology

    Directory of Open Access Journals (Sweden)

    Peng Q

    2014-04-01

    Full Text Available Qing Peng,1 Albert K Dearden,2 Jared Crean,1 Liang Han,1 Sheng Liu,3 Xiaodong Wen,4,5 Suvranu De11Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY, USA; 2Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, NY, USA; 3Institute for Microsystems, School of Mechanical Engineering, Huazhong University of Science and Technology, Wuhan, People's Republic of China; 4State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, People's Republic of China; 5Synfuels China Co, Ltd, Huairou, Beijing, People's Republic of ChinaAbstract: Plenty of new two-dimensional materials including graphyne, graphdiyne, graphone, and graphane have been proposed and unveiled after the discovery of the "wonder material" graphene. Graphyne and graphdiyne are two-dimensional carbon allotropes of graphene with honeycomb structures. Graphone and graphane are hydrogenated derivatives of graphene. The advanced and unique properties of these new materials make them highly promising for applications in next generation nanoelectronics. Here, we briefly review their properties, including structural, mechanical, physical, and chemical properties, as well as their synthesis and applications in nanotechnology. Graphyne is better than graphene in directional electronic properties and charge carriers. With a band gap and magnetism, graphone and graphane show important applications in nanoelectronics and spintronics. Because these materials are close to graphene and will play important roles in carbon-based electronic devices, they deserve further, careful, and thorough studies for nanotechnology applications.Keywords: two-dimensional materials, graphene-like structures, properties and synthesis, nanotechnology applications, graphyne, hydrogenation of grapheme

  17. Synthesis of novel inorganic-organic hybrid materials for simultaneous adsorption of metal ions and organic molecules in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Xinliang [State Key Laboratory of Applied Organic Chemistry, College of Chemistry and Chemical Engineering, Institute of Biochemical Engineering and Environmental Technology, Lanzhou University, Lanzhou 730000 (China); Li, Yanfeng, E-mail: liyf@lzu.edu.cn [State Key Laboratory of Applied Organic Chemistry, College of Chemistry and Chemical Engineering, Institute of Biochemical Engineering and Environmental Technology, Lanzhou University, Lanzhou 730000 (China); Yu, Cui; Ma, Yingxia; Yang, Liuqing; Hu, Huaiyuan [State Key Laboratory of Applied Organic Chemistry, College of Chemistry and Chemical Engineering, Institute of Biochemical Engineering and Environmental Technology, Lanzhou University, Lanzhou 730000 (China)

    2011-12-30

    Highlights: Black-Right-Pointing-Pointer Novel hybrid materials were synthesized and employed in the absorption of heavy metal and organic pollutants. Black-Right-Pointing-Pointer A novel method for amphiphilic adsorbent material synthesis was first reported in this paper. Black-Right-Pointing-Pointer The adsorbent material showed excellent adsorption capacity to Pb(II) and phenol. - Abstract: In this paper, atom transfer radical polymerization (ATRP) and radical grafting polymerization were combined to synthesize a novel amphiphilic hybrid material, meanwhile, the amphiphilic hybrid material was employed in the absorption of heavy metal and organic pollutants. After the formation of attapulgite (ATP) ATRP initiator, ATRP block copolymers of styrene (St) and divinylbenzene (DVB) were grafted from it as ATP-P(S-b-DVB). Then radical polymerization of acrylonitrile (AN) was carried out with pendent double bonds in the DVD units successfully, finally we got the inorganic-organic hybrid materials ATP-P(S-b-DVB-g-AN). A novel amphiphilic hybrid material ATP-P(S-b-DVB-g-AO) (ASDO) was obtained after transforming acrylonitrile (AN) units into acrylamide oxime (AO) as hydrophilic segment. The adsorption capacity of ASDO for Pb(II) could achieve 131.6 mg/g, and the maximum removal capacity of ASDO towards phenol was found to be 18.18 mg/g in the case of monolayer adsorption at 30 Degree-Sign C. The optimum pH was 5 for both lead and phenol adsorption. The adsorption kinetic suited pseudo-second-order equation and the equilibrium fitted the Freundlich model very well under optimal conditions. At the same time FT-IR, TEM and TGA were also used to study its structure and property.

  18. Material characterization models and test methods for historic building materials

    DEFF Research Database (Denmark)

    Hansen, Tessa Kvist; Peuhkuri, Ruut Hannele; Møller, Eva B.

    2017-01-01

    ways for estimation of these. A case study of a brick wall was used to create and validate a hygrothermal simulation model; a parameter study with five different parameters was performed on this model to determine decisive parameters. Furthermore, a clustering technique has been proposed to estimate...

  19. De novo synthesis of a metal-organic framework material featuring ultrahigh surface area and gas storage capacities.

    Science.gov (United States)

    Farha, Omar K; Yazaydın, A Özgür; Eryazici, Ibrahim; Malliakas, Christos D; Hauser, Brad G; Kanatzidis, Mercouri G; Nguyen, SonBinh T; Snurr, Randall Q; Hupp, Joseph T

    2010-11-01

    Metal-organic frameworks--a class of porous hybrid materials built from metal ions and organic bridges--have recently shown great promise for a wide variety of applications. The large choice of building blocks means that the structures and pore characteristics of the metal-organic frameworks can be tuned relatively easily. However, despite much research, it remains challenging to prepare frameworks specifically tailored for particular applications. Here, we have used computational modelling to design and predictively characterize a metal-organic framework (NU-100) with a particularly high surface area. Subsequent experimental synthesis yielded a material, matching the calculated structure, with a high BET surface area (6,143 m(2) g(-1)). Furthermore, sorption measurements revealed that the material had high storage capacities for hydrogen (164 mg g(-1)) and carbon dioxide (2,315 mg g(-1))--gases of high importance in the contexts of clean energy and climate alteration, respectively--in excellent agreement with predictions from modelling.

  20. Synthesis of mesoporous silica materials from municipal solid waste incinerator bottom ash

    International Nuclear Information System (INIS)

    Liu, Zhen-Shu; Li, Wen-Kai; Huang, Chun-Yi

    2014-01-01

    Highlights: • The optimal alkaline agent for the extraction of silica from bottom ash was Na 2 CO 3 . • The pore sizes for the mesoporous silica synthesized from bottom ash were 2–3.8 nm. • The synthesized materials exhibited a hexagonal pore structure with a smaller order. • The materials have potential for the removal of heavy metals from aqueous solutions. - Abstract: Incinerator bottom ash contains a large amount of silica and can hence be used as a silica source for the synthesis of mesoporous silica materials. In this study, the conditions for alkaline fusion to extract silica from incinerator bottom ash were investigated, and the resulting supernatant solution was used as the silica source for synthesizing mesoporous silica materials. The physical and chemical characteristics of the mesoporous silica materials were analyzed using BET, XRD, FTIR, SEM, and solid-state NMR. The results indicated that the BET surface area and pore size distribution of the synthesized silica materials were 992 m 2 /g and 2–3.8 nm, respectively. The XRD patterns showed that the synthesized materials exhibited a hexagonal pore structure with a smaller order. The NMR spectra of the synthesized materials exhibited three peaks, corresponding to Q 2 [Si(OSi) 2 (OH) 2 ], Q 3 [Si(OSi) 3 (OH)], and Q 4 [Si(OSi) 4 ]. The FTIR spectra confirmed the existence of a surface hydroxyl group and the occurrence of symmetric Si–O stretching. Thus, mesoporous silica was successfully synthesized from incinerator bottom ash. Finally, the effectiveness of the synthesized silica in removing heavy metals (Pb 2+ , Cu 2+ , Cd 2+ , and Cr 2+ ) from aqueous solutions was also determined. The results showed that the silica materials synthesized from incinerator bottom ash have potential for use as an adsorbent for the removal of heavy metals from aqueous solutions

  1. Combustion synthesis of TiC-based materials: Mechanisms, densification, and properties

    International Nuclear Information System (INIS)

    LaSalvia, J.C.; Meyers, M.A.

    1995-01-01

    The micromechanisms involved in the combustion synthesis of a Ti-C-Ni-Mo mixture resulting in the formation of a TiC-based composite were examined using the combustion wave quenching technique developed by Rogachev et al. At the micron level, the main reaction occurs at the interface between a Ti-Ni-C melt and C particles, resulting in the formation of a solid TiC x layer on the C particles. This layer undergoes a successive process of rapid growth and decomposition into TiC x spherules until all of the C particle is consumed. This mechanism is consistent with the apparent activation energy (E = 100 kJ/mol) for the process obtained from a macrokinetic investigation of the system. The apparent uniformity in size (d = 1 μm) of the TiC x spherules upon formation indicates a critical condition in the stability of the energetics involved in the process. These TiC x spherules undergo growth due to Ostwald ripening and coalescence mechanisms resulting in a final apparent size of 2.5 μm. For the compositions investigated, the addition of Mo did not affect either the micromechanisms or macrokinetics of the combustion synthesis process. Densification of the porous body after the combustion synthesis process can be carried out while it is still in a easily deformable state. The highly porous body is densified by a combination of fracture (communition), plastic deformation, and sintering. The mechanisms are identified for the case of combustion synthesized TiC. Mechanical properties and microstructures of a number of materials (e.g. TiC, TiB 2 , Al 2 O 3 -TiB 2 , TiB 2 -SiC, TiC-Ni-Mo) produced by combustion synthesis combined with a high-velocity forging step are reviewed

  2. Mathematical Model of Synthesis Catalyst with Local Reaction Centers

    Directory of Open Access Journals (Sweden)

    I. V. Derevich

    2017-01-01

    Full Text Available The article considers a catalyst granule with a porous ceramic passive substrate and point active centers on which an exothermic synthesis reaction occurs. A rate of the chemical reaction depends on the temperature according to the Arrhenius law. Heat is removed from the pellet surface in products of synthesis due to heat transfer. In our work we first proposed a model for calculating the steady-state temperature of a catalyst pellet with local reaction centers. Calculation of active centers temperature is based on the idea of self-consistent field (mean-field theory. At first, it is considered that powers of the reaction heat release at the centers are known. On the basis of the found analytical solution, which describes temperature distribution inside the granule, the average temperature of the reaction centers is calculated, which then is inserted in the formula for heat release. The resulting system of transcendental algebraic equations is transformed into a system of ordinary differential equations of relaxation type and solved numerically to achieve a steady-state value. As a practical application, the article considers a Fischer-Tropsch synthesis catalyst granule with active cobalt metallic micro-particles. Cobalt micro-particles are the centers of the exothermic reaction of hydrocarbons macromolecular synthesis. Synthesis occurs as a result of absorption of the components of the synthesis gas on metallic cobalt. The temperature distribution inside the granule for a single local center and reaction centers located on the same granule diameter is found. It was found that there is a critical temperature of reactor exceeding of which leads to significant local overheating of the centers - thermal explosion. The temperature distribution with the local reaction centers is qualitatively different from the granule temperature, calculated in the homogeneous approximation. It is shown that, in contrast to the homogeneous approximation, the

  3. Synthesis and characterization of a novel inorganic-organic hybrid material based on polyoxometalates and dicyclohexylcarbodiimide

    Science.gov (United States)

    Huang, Bo; Hu, Xiaokang; Hu, Xunliang; Wang, Nan; Yang, Kang; Xiao, Zicheng; Wu, Pingfan

    2017-12-01

    Towards design and synthesis of bulky molecules and molecular machines, we reported a new inorganic-organic hybrid material based on polyoxometalates and 1, 3-dicyclohexylcarbodiimide (DCC): (Bu4N)2[V6O13{(OCH2)3CCH2OOCCH2CH2CON(C6H11)CONHC6H11}2]. The hybrid was characterized by FT-IR, 1H NMR, UV-Vis, ESI-MS, and the structure of the compound was determined through single-crystal X-ray diffraction. There was an interesting supramolecular assembly in the hybrid material through intermolecular hydrogen bonding, and each cyclohexyl in the polymer looks like one of blades in the propeller. Furthermore, the thermal stability of the hybrid was tested by TGA analyses, and the electrochemical property has also been studied by cyclic voltammogram.

  4. Improved synthesis and hydrogen storage of a microporous metal-organic framework material

    International Nuclear Information System (INIS)

    Cheng Shaojuan; Liu Shaobing; Zhao Qiang; Li Jinping

    2009-01-01

    A microporous metal-organic framework MOF-5 [Zn 4 O(BDC) 3 , BDC = 1,4-benzenedicarboxylic] was synthesized with and without H 2 O 2 by improved methods based on the previous studies. The obtained materials were characterized by X-ray diffraction, scanning electron microscopy and nitrogen adsorption, and their hydrogen storage capacities were measured. The synthesis experiments showed that H 2 O 2 favored the growth of high quality sample, large pore volume and high specific surface area. The measurements of hydrogen storage indicated that the sample with higher specific surface area and large pore volume showed better hydrogen storage behavior than other samples. It was suggested that specific surface area and pore volume influenced the capacity of hydrogen storage for MOF-5 material.

  5. Synthesis and characterization of zeolite material from coal ashes modified by surfactant

    International Nuclear Information System (INIS)

    Fungaro, D.A.; Borrely, S.I.

    2010-01-01

    Coal ash was used as starting material for zeolite synthesis by means of hydrothermal treatment. The surfactant-modified zeolite (SMZ) was prepared by adsorbing the cationic surfactant hexadecyltrimethylammonium bromide (HDTMA-Br) on the external surface of the zeolite from coal ash. The zeolite structure stability was monitored during the characterization of the materials by FTIR, XDR and SEM. The structural parameters of surfactant-modified zeolite are very close to that of corresponding non-modified zeolite which indicates that the crystalline nature of the zeolite remained intact after required chemical treatment with HDTMA-Br molecules and heating treatment for drying. The most intense peaks in the FTIR spectrum of HDTMA-Br were observed in SMZ spectrum confirming adsorption of surfactant on zeolites. (author)

  6. UTILIZATION OF RICE HUSK AS RAW MATERIAL IN SYNTHESIS OF MESOPOROUS SILICATES MCM-41

    Directory of Open Access Journals (Sweden)

    Suyanta Suyanta

    2011-12-01

    Full Text Available The research about synthesis and characterization of MCM-41 from rice husk has been done. Silica (SiO2 was extracted from rice husk by refluxing with 3M hydrochloric solution at 80 °C for 3 h. The acid-leached rice husk was filtered, washed, dried and calcined at 650 °C for 6 h lead the rough powder of rice husk silica with light brown in color. Characterization was carried out by X-ray diffraction (XRD and FTIR spectroscopy method. Rice husk silica was dissolved into the sodium hydroxide solution leading to the solution of sodium silicate, and used as silica source for the synthesis of MCM-41. MCM-41 was synthesized by hydrothermal process to the mixture prepared from 29 g of distilled water, 8.67 g of cetyltrimethyl ammonium bromide (CTMAB, 9.31 g of sodium silicate solution, and amount mL of 1 M H2SO4. Hydrothermal process was carried out at 100 °C in a teflon-lined stainless steel autoclave heated in the oven for 36 h. The solid phase was filtered, then washed with deionised water, and dried in the oven at 100 °C for 2 h. The surfactant CTMAB was removed by calcination at 550 °C for 10 h with heating rate 2 °C/min. The as-synthesized and calcined crystals were characterized by using FTIR spectroscopy, X-ray diffraction and N2 physisorption methods. In order to investigate the effect of silica source, the same procedure was carried out by using pure sodium silicate as silica source. It was concluded that silica extracted from rice husk can be used as raw materials in the synthesis of MCM-41, there is no significant difference in crystallinity and pore properties when was compared to material produced from commercial sodium silicate.

  7. Synthesis and Characterization of High Aluminum Zeolite X from Technical Grade Materials

    Directory of Open Access Journals (Sweden)

    Seyed Kamal Masoudian

    2013-06-01

    Full Text Available Zeolites are widely used as ion exchangers, adsorbents, separation materials and catalyst due to their well-tailored and highly-reproducible structures; therefore, the synthesis of zeolite from low grade resources can be interested. In the present work, high aluminum zeolite X was prepared from mixing technical grade sodium aluminate and sodium silicate solutions at temperatures between 70°C and 100°C. The synthesized zeolite X was characterized by SEM and X-ray methods according to ASTM standard procedures. The results showed that aging of the synthesis medium at the room temperature considerably increased the selectivity of zeolite X formation. On the other hand, high temperature of reaction mixture during crystallization formed zeolite A in the product; therefore, it decreased the purity of zeolite X. In addition, it was found that increasing H2O/Na2O and decreasing Na2O/SiO2 molar ratios in the reaction mixture resulted product with higher purity. © 2013 BCREC UNDIP. All rights reservedReceived: 7th January 2013; Revised: 7th April 2013; Accepted: 19th April 2013[How to Cite: Masoudian, S. K., Sadighi, S., Abbasi, A. (2013. Synthesis and Characterization of High Alu-minum Zeolite X from Technical Grade Materials. Bulletin of Chemical Reaction Engineering & Catalysis, 8 (1: 54-60. (doi:10.9767/bcrec.8.1.4321.54-60][Permalink/DOI: http://dx.doi.org/10.9767/bcrec.8.1.4321.54-60] | View in  |

  8. Modeling Emerging Solar Cell Materials and Devices

    Science.gov (United States)

    Thongprong, Non

    Organic photovoltaics (OPVs) and perovskite solar cells are emerging classes of solar cell that are promising for clean energy alternatives to fossil fuels. Understanding fundamental physics of these materials is crucial for improving their energy conversion efficiencies and promoting them to practical applications. Current density-voltage (JV) curves; which are important indicators of OPV efficiency, have direct connections to many fundamental properties of solar cells. They can be described by the Shockley diode equation, resulting in fitting parameters; series and parallel resistance (Rs and Rp), diode saturation current ( J0) and ideality factor (n). However, the Shockley equation was developed specifically for inorganic p-n junction diodes, so it lacks physical meanings when it is applied to OPVs. Hence, the puRposes of this work are to understand the fundamental physics of OPVs and to develop new diode equations in the same form as the Shockley equation that are based on OPV physics. We develop a numerical drift-diffusion simulation model to study bilayer OPVs, which will be called the drift-diffusion for bilayer interface (DD-BI) model. The model solves Poisson, drift-diffusion and current-continuity equations self-consistently for charge densities and potential profiles of a bilayer device with an organic heterojunction interface described by the GWWF model. We also derive new diode equations that have JV curves consistent with the DD-BI model and thus will be called self-consistent diode (SCD) equations. Using the DD-BI and the SCD model allows us to understand working principles of bilayer OPVs and physical definitions of the Shockley parameters. Due to low carrier mobilities in OPVs, space charge accumulation is common especially near the interface and electrodes. Hence, quasi-Fermi levels (i.e. chemical potentials), which depend on charge densities, are modified around the interface, resulting in a splitting of quasi-Fermi levels that works as a driving

  9. Synthesis and comparison of the activities of a catalyst supported on two silicate materials

    Energy Technology Data Exchange (ETDEWEB)

    Vieira, Eduardo G., E-mail: eduardogv5007@gmail.com [Departamento de Física e Química, Unesp-Univ Estadual Paulista, Av. Brasil, 56-Centro, Caixa Postal 31, CEP 15385-000, Ilha Solteira, São Paulo (Brazil); Silva, Rafael O.; Carmo, Devaney R. do [Departamento de Física e Química, Unesp-Univ Estadual Paulista, Av. Brasil, 56-Centro, Caixa Postal 31, CEP 15385-000, Ilha Solteira, São Paulo (Brazil); Junior, Enes F. [Departamento de Fitotecnia, Tecnologia de Alimentos e Sócio Economia, Faculdade de Engenharia de Ilha Solteira, Universidade Estadual Paulista, Ilha Solteira, São Paulo (Brazil); Dias Filho, Newton L., E-mail: nldias@unesc.net [Departamento de Física e Química, Unesp-Univ Estadual Paulista, Av. Brasil, 56-Centro, Caixa Postal 31, CEP 15385-000, Ilha Solteira, São Paulo (Brazil); Universidade do Extremo Sul Catarinense, Av. Universitaria, 1105, CP 3167, CEP 88806-000, Criciúma, SC (Brazil)

    2017-04-15

    The focus of this work is inspecting the synthesis and comparison of the activities of a catalyst supported on two silicate materials in the epoxidation of 1-octene. The two new catalyst materials were characterized by infrared spectroscopy, elemental analysis, solid-state {sup 29}Si and {sup 13}C nuclear magnetic resonance, scanning electronic microscope (SEM) and analysis of nitrogen. Lastly, the two new catalysts, Silsesq-TCA-[(W(CO){sub 3}I{sub 2}){sub 3}] and Silica-TCA-[W(CO){sub 3}I{sub 2}] were tested as catalysts in reactions of epoxidation of 1-octene and compared with their analogue not supported [W(CO){sub 3}I{sub 2}(thiocarbamide)]. After an extensive literature search, we verified that our work is the first that has reported the immobilization process of [W(CO){sub 3}I{sub 2}(NCCH{sub 3}){sub 2}] on silsesquioxane and silica gel functionalized with propyl-thiocarbamide groups and their applications as catalysts of reactions of catalytic epoxidation of 1-octene. - Highlights: • Immobilization of [W(CO){sub 3}I{sub 2}(NCCH{sub 3}){sub 2}] complex onto mesoporous supports. • Synthesis and characterization of new mesoporous catalysts. • The new catalysts exhibit great catalytic activity in the epoxidation of 1-octene. • Recyclable catalysts with excellent reusability and stability.

  10. Solution Synthesis and Processing of PZT Materials for Neutron Generator Applications

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, M.A.; Ewsuk, K.G.; Montoya, T.V.; Moore, R.H.; Sipola, D.L.; Tuttle, B.A.; Voigt, J.A.

    1998-12-01

    A new solution synthesis route has been developed for the preparation of lead-based ferroelectric materials (patent filed). The process produces controlled stoichiometry precursor powders by non-aqueous precipitation. For a given ferroelectric material to be prepared, a metal acetate/alkoxide solution containing constituent metal species in the appropriate ratio is mixed with an oxalic acid/n-propanol precipitant solution. An oxalate coprecipitate is instantly fonned upon mixing that quantitatively removes the metals from solution. Most of the process development was focused on the synthesis and processing of niobium-substituted lead zirconate titanate with a Zr-to-Ti ratio of 95:5 (PNZT 95/5) that has an application in neutron generator power supplies. The process was scaled to produce 1.6 kg of the PNZT 95/5 powder using either a sen-ii-batch or a continuous precipitation scheme. Several of the PNZT 95/5 powder lots were processed into ceramic slug form. The slugs in turn were processed into components and characterized. The physical properties and electrical performance (including explosive functional testing of the components met the requirements set for the neutron generator application. Also, it has been demonstrated that the process is highly reproducible with respect to the properties of the powders it produces and the properties of the ceramics prepared from its powders. The work described in this report was funded by Sandia's Laboratory Directed Research and Development Program.

  11. Iron zircon pigment synthesis: Proposal of a mixing index for the raw materials mixtures

    Directory of Open Access Journals (Sweden)

    Eulalia Zumaquero

    2017-07-01

    Full Text Available Iron zircon coral pigments are very interesting from an industrial point of view because of their high colouring power and their stability at high temperatures. However, the pigment's synthesis is particularly troublesome due to its specific reaction mechanism. As an encapsulated pigment it becomes very important how the raw materials are distributed in the reaction mixture. To evaluate the effectiveness of the mixing process, it would be convenient to define a parameter, that is the mixing index, to estimate the degree of homogeneity of the system. In the current investigation, a mixing index is proposed derived from the power spectrum of Fourier transform of scanning electron microscope (SEM images of the raw material mixture. Concretely, the number of pixels in a certain range of values in the image of the power spectrum, seems to behave relatively well as mixing index. This index allows us to distinguish between samples with different zirconia and iron oxide used as precursors. The proposed mixing index seems to be related to the colouring power of the final pigment when the synthesis generates enough zircon to encapsulate hematite particles.

  12. Iron zircon pigment synthesis: Proposal of a mixing index for the raw materials mixtures

    International Nuclear Information System (INIS)

    Zumaquero, E.; Ortsb, M.J.; Sanz, V.; Mestre, S.

    2017-01-01

    Iron zircon coral pigments are very interesting from an industrial point of view because of their high colouring power and their stability at high temperatures. However, the pigment's synthesis is particularly troublesome due to its specific reaction mechanism. As an encapsulated pigment it becomes very important how the raw materials are distributed in the reaction mixture. To evaluate the effectiveness of the mixing process, it would be convenient to define a parameter, that is the mixing index, to estimate the degree of homogeneity of the system. In the current investigation, a mixing index is proposed derived from the power spectrum of Fourier transform of scanning electron microscope (SEM) images of the raw material mixture. Concretely, the number of pixels in a certain range of values in the image of the power spectrum, seems to behave relatively well as mixing index. This index allows us to distinguish between samples with different zirconia and iron oxide used as precursors. The proposed mixing index seems to be related to the colouring power of the final pigment when the synthesis generates enough zircon to encapsulate hematite particles. [es

  13. Synthesis and characterization of borate based and AgGaS{sub 2} materials

    Energy Technology Data Exchange (ETDEWEB)

    Dhanasekaran, R, E-mail: rdhanasekaran@annauniv.edu [Crystal Growth Centre, Anna University-Chennai, Chennai 600 025 (India)

    2009-07-15

    In recent years, there has been tremendous development in the fabrication of suitable materials for optoelectronic, laser, photovoltaic devices, acousto-optic, sonar and infrared detectors applications. Mastering in synthesis, growth and characterization is an essential requirement for fully realizing the potential applications of the materials technology for the construction of novel devices for Laser, microwave, optoelectronic and other applications. The anisotropy in the crystals gives them enhanced properties as required in the field of non-linear optics. With the advent of laser sources, a nonlinear optical phenomenon has got tremendous interest and nonlinear optical (NLO) materials play a key role in the development of laser technology. Because of the variety and complexity of the material systems involved, several approaches towards synthesis, growth and characterization have been developed during the past decades. Laser materials can be classified into Inorganic, Organic and Semi organic categories. Urea, DAST, mNA, POM, NPP, MAP are examples of organic family crystals where as L-Arginine phosphate (LAP), Zinc tris thiourea sulphate (ZTS), BTCC, ZCTC belongs to semi organic class. Inorganic NLO crystals are Potassium titanyl phosphate (KTP), GdYCOB, KAB, Beta Barium Borate (BBO), LBO, KDP and LiNbO{sub 3}. Synthesis and characterization of technologically important Borate based materials for NLO applications will be reviewed. The raising demand for UV lasers has led to the development of various NLO materials. A series of borate materials - Rare earth calcium oxy borate (RECOB) with the general chemical formula RECa{sub 4}O(BO{sub 3}){sub 3} with RE=Y,Gd, Nd, Sm, etc. are reported to be synthesized from their repective melts. The RECOB crystals are excellent NLO materials and when doped with 'laser-active' ions (Nd{sup 3+}, Yb{sup 3+}), they become efficient laser-host crystals. The single crystals of YCOB were grown by flux technique using boron

  14. Modeling consonant-vowel coarticulation for articulatory speech synthesis.

    Directory of Open Access Journals (Sweden)

    Peter Birkholz

    Full Text Available A central challenge for articulatory speech synthesis is the simulation of realistic articulatory movements, which is critical for the generation of highly natural and intelligible speech. This includes modeling coarticulation, i.e., the context-dependent variation of the articulatory and acoustic realization of phonemes, especially of consonants. Here we propose a method to simulate the context-sensitive articulation of consonants in consonant-vowel syllables. To achieve this, the vocal tract target shape of a consonant in the context of a given vowel is derived as the weighted average of three measured and acoustically-optimized reference vocal tract shapes for that consonant in the context of the corner vowels /a/, /i/, and /u/. The weights are determined by mapping the target shape of the given context vowel into the vowel subspace spanned by the corner vowels. The model was applied for the synthesis of consonant-vowel syllables with the consonants /b/, /d/, /g/, /l/, /r/, /m/, /n/ in all combinations with the eight long German vowels. In a perception test, the mean recognition rate for the consonants in the isolated syllables was 82.4%. This demonstrates the potential of the approach for highly intelligible articulatory speech synthesis.

  15. Soft-Templating Synthesis of Mesoporous Silica-Based Materials for Environmental Applications

    Science.gov (United States)

    Gunathilake, Chamila Asanka

    Dissertation research is mainly focus on: 1) the development of mesoporous silica materials with organic pendant and bridging groups (isocyanurate, amidoxime, benzene) and incorporated metal (aluminum, zirconium, calcium, and magnesium) species for high temperature carbon dioxide (CO2) sorption, 2) phosphorous-hydroxy functionalized mesoporous silica materials for water treatment, and 3) amidoxime-modified ordered mesoporous silica materials for uranium sorption under seawater conditions. The goal is to design composite materials for environmental applications with desired porosity, surface area, and functionality by selecting proper metal oxide precursors, organosilanes, tetraethylorthosilicate, (TEOS), and block copolymer templates and by adjusting synthesis conditions. The first part of dissertation presents experimental studies on the merge of aluminum, zirconium, calcium, and magnesium oxides with mesoporous silica materials containing organic pendant (amidoxime) and bridging groups (isocyanurate, benzene) to obtain composite sorbents for CO2 sorption at ambient (0-25 °C) and elevated (60-120 °C) temperatures. These studies indicate that the aforementioned composite sorbents are fairly good for CO2 capture at 25 °C via physisorption mechanism and show a remarkably high affinity toward CO2 chemisorption at 60-120 °C. The second part of dissertation is devoted to silica-based materials with organic functionalities for removal of heavy metal ions such as lead from contaminated water and for recovery of metal ions such as uranium from seawater. First, ordered mesoporous organosilica (OMO) materials with diethylphosphatoethyl and hydroxyphosphatoethyl surface groups were examined for Pb2+ adsorption and showed unprecedented adsorption capacities up to 272 mg/g and 202 mg/g, respectively However, the amidoxime-modified OMO materials were explored for uranium extraction under seawater conditions and showed remarkable capacities reaching 57 mg of uranium per gram

  16. Design, Synthesis and Characterization of Functional Metal-Organic Framework Materials

    KAUST Repository

    Alamer, Badriah

    2015-06-01

    Over the past few decades, vast majority of industrial and academic research throughout the world has witnessed the emergence of materials that can serve as ideal candidates for potential utility in desired applications, and these materials are known as Metal Organic Framework (MOFs). This exceptional new family of porous materials is fabricated by linkage of metal ions or clusters and organic linkers via strong bonds. MOFs have been awarded with remarkable interest and widely studied due to their inherent structural methodology (e.g. use of various metals, expanded library of organic building blocks with different geometry and functionality particularly frameworks designed from carboxylate organic linkers) and unquestionably unique structural and chemical features for many practical applications. (i.e. gas storage/separation, catalysis, drug delivery etc). Simply, metal organic frameworks epitomize the beauty of porous chemical structures. From a design perspective, the introduction of the Molecular Building Block (MBB) approach is actively being pursued pathway by researchers toward the construction of MOFs by employing inorganic building blocks and organic linkers and taking advantage of not only their multiple coordination modes and geometries but also the way in which they are reticulated to generate final framework. In this thesis, research studies will be directed toward (i) the investigation of the relationship between experimental parameters and synthesis of well-known fcu –MOF, (ii) rational design and synthesis of new rare earth (RE) based MOFs, (ii) isoreticular materials based on particular MBB ([M3O(RCO2)6]), M= p-and d-block metals, and (iv) zeolite- like metal organic framework assembled from single-metal ion based MBB ([MN2(CO2)4]) via 2-, 3-,and 4-connected organic linkers. Consequently, the porosity, chemical and thermal stability, and gas sorption properties will be evaluated and detailed.

  17. A MODEL OF EFL LISTENING MATERIALS DEVELOPMENT

    Directory of Open Access Journals (Sweden)

    Mochamad Zaenuri

    2015-12-01

    Full Text Available In oral communication, listening skill is important because communication does not take place successfully if the message stated is not understood. To master the skill, learners should learn it. Therefore, good listening materials are needed. However, English teachers often find it difficult to teach listening skills because the listening materials are not adequately available. Besides, if the materials are available, they are not appropriate with the students’ needs and the curriculum. In that case, English teachers need to develop listening materials by themselves. For this, they should have knowledge of materials development. This paper presents ideas and tips for English teachers how to develop good and applicable listening materials.

  18. Serotonin synthesis, release and reuptake in terminals: a mathematical model

    Directory of Open Access Journals (Sweden)

    Best Janet

    2010-08-01

    Full Text Available Abstract Background Serotonin is a neurotransmitter that has been linked to a wide variety of behaviors including feeding and body-weight regulation, social hierarchies, aggression and suicidality, obsessive compulsive disorder, alcoholism, anxiety, and affective disorders. Full understanding of serotonergic systems in the central nervous system involves genomics, neurochemistry, electrophysiology, and behavior. Though associations have been found between functions at these different levels, in most cases the causal mechanisms are unknown. The scientific issues are daunting but important for human health because of the use of selective serotonin reuptake inhibitors and other pharmacological agents to treat disorders in the serotonergic signaling system. Methods We construct a mathematical model of serotonin synthesis, release, and reuptake in a single serotonergic neuron terminal. The model includes the effects of autoreceptors, the transport of tryptophan into the terminal, and the metabolism of serotonin, as well as the dependence of release on the firing rate. The model is based on real physiology determined experimentally and is compared to experimental data. Results We compare the variations in serotonin and dopamine synthesis due to meals and find that dopamine synthesis is insensitive to the availability of tyrosine but serotonin synthesis is sensitive to the availability of tryptophan. We conduct in silico experiments on the clearance of extracellular serotonin, normally and in the presence of fluoxetine, and compare to experimental data. We study the effects of various polymorphisms in the genes for the serotonin transporter and for tryptophan hydroxylase on synthesis, release, and reuptake. We find that, because of the homeostatic feedback mechanisms of the autoreceptors, the polymorphisms have smaller effects than one expects. We compute the expected steady concentrations of serotonin transporter knockout mice and compare to

  19. Synthesis and characterization of cathode, anode and electrolyte materials for rechargeable lithium batteries

    Science.gov (United States)

    Yang, Shoufeng

    Two new classes of cathode materials were studied: iron phosphate/sulfate materials and layered manganese oxides, both of which are low cost and had shown some potential. The first class of materials have poor conductivity and cyclability. I studied a number of methods for increasing the conductivity, and determined that grinding the material with carbon black was as effective as special in-situ coatings. The optimum carbon loading was determined to be between 6 and 15 wt%. Too much carbon reduces the volumetric energy density, whereas too little significantly increased cell polarization (reduced the rate of reaction). The kinetic and thermodynamic stability of LiFePO 4 was also studied and it was determined that over discharge protection will be needed as irreversible Li3PO4 can be formed at low potentials. A novel hydrothermal synthesis method was developed, but the significant level of Fe on the Li site reduces the reaction rate too much. In the case of the layered manganese oxide, cation substitution with Co and Ni is found to be effective in avoiding Jahn-Teller effects and improving electrochemistry. A wide range of tin compounds have been suggested as lithium storage media for advanced anode materials, as tin can store over 4 Li per Sn atom. Lithium hexafluorophosphate, LiPF6, is presently the salt of choice for LiCoO2 batteries, but it is expensive and dissolves some manganese compounds. The lithium bis(oxolato)borate (BOB) salt was recently reported, and I made a study of its use in cells with the LiFePO4 cathode and the tin anode. During its synthesis, it became clear that LiBOB is very reactive with many solvents, and these complexes were characterized to better understand this new material. In LiBOB the lithium is five coordinated, an unstable configuration for the lithium ion so that water and many other solvents rapidly react to make a six coordination. Only in the case of ethylene carbonate was the lithium found to be four coordinated. The Li

  20. Population Synthesis Models for Normal Galaxies with Dusty Disks

    Directory of Open Access Journals (Sweden)

    Kyung-Won Suh

    2003-09-01

    Full Text Available To investigate the SEDs of galaxies considering the dust extinction processes in the galactic disks, we present the population synthesis models for normal galaxies with dusty disks. We use PEGASE (Fioc & Rocca-Volmerange 1997 to model them with standard input parameters for stars and new dust parameters. We find that the model results are strongly dependent on the dust parameters as well as other parameters (e.g. star formation history. We compare the model results with the observations and discuss about the possible explanations. We find that the dust opacity functions derived from studies of asymptotic giant branch stars are useful for modeling a galaxy with a dusty disk.

  1. Synthesis and Characterization Materials M-Barium Hexaferrite Doping Ions Co-Mn Nano Particle

    Science.gov (United States)

    Susilawati; Doyan, A.; Sahlam

    2017-05-01

    This research has been success in the synthesis of M-Barium hexaferrite (BaM) doping Co-Mn ions using coprecipitation method are expected to be applied as a base material in the coating RADAR. M-Barium hexaferrite (BaM) are BaFe12-2xCoxMnxO19 synthesized with various concentrations (x = 0.0, 0.1, 0.2, 0.3) and the calcinations temperature (T = 400°C, 600°C, 800°C). The materials characterization using a X-Ray Diffraction (XRD), Transmission Electron Microscope (TEM), Inductance Capacitance and resistance (LCR) meter, and Vibrating Sample Magnetometer (VSM) Instruments. The measurement results using XRD shows the material has a hexagonal crystalline structure. The measurement results using a TEM show a sample of nano crystal materials with grain diameters up to 40 nm and spacing of the crystal lattice. The measurement results using a LCR-meter shows the electric conductivity of 1.15 × 10-6 S/cm to BaM without doping, 3.75 × 10-6 S/cm to 0.1 doping concentration calcination temperature of 400 °C, and 1,23 × 10-5 S/cm to 0.3 doping concentration calcination temperature of 800 °C, thus including semiconductor materials. The magnetic properties of materials using a VSM test results show the value of coercivity of 0.1 T; remanence value of 0.06 emu/g; and the saturation value of 0.42 emu/g. The results above show BaM Co-Mn metal doping potential as anti-radar material.

  2. Continuous-Flow Synthesis and Materials Interface Engineering of Lead Sulfide Quantum Dots for Photovoltaic Applications

    KAUST Repository

    El-Ballouli, Ala’a O.

    2016-05-25

    Harnessing the Sun’s energy via the conversion of solar photons to electricity has emerged as a sustainable energy source to fulfill our future demands. In this regard, solution-processable, size-tunable PbS quantum dots (QDs) have been identified as a promising active materials for photovoltaics (PVs). Yet, there are still serious challenges that hinder the full exploitation of QD materials in PVs. This dissertation addresses two main challenges to aid these QDs in fulfilling their tremendous potential in PV applications. First, it is essential to establish a large-scale synthetic technique which maintains control over the reaction parameters to yield QDs with well-defined shape, size, and composition. Rigorous protocols for cost-effective production on a scale are still missing from literature. Particularly, previous reports of record-performance QD-PVs have been based on small-scale, manual, batch syntheses. One way to achieve a controlled large-scale synthesis is by reducing the reaction volume to ensure uniformity. Accordingly, we design a droplet-based continuous-flow synthesis of PbS QDs. Only upon separating the nucleation and growth phases, via a dual-temperature-stage reactor, it was possible to achieve high-quality QDs with high photoluminescence quantum yield (50%) in large-scale. The performance of these QDs in a PV device was comparable to batch-synthesized QDs, thus providing a promise in utilizing automated synthesis of QDs for PV applications. Second, it is crucial to study and control the charge transfer (CT) dynamics at QD interfaces in order to optimize their PV performance. Yet, the CT investigations based on PbS QDs are limited in literature. Here, we investigate the CT and charge separation (CS) at size-tunable PbS QDs and organic acceptor interfaces using a combination of femtosecond broadband transient spectroscopic techniques and steady-state measurements. The results reveal that the energy band alignment, tuned by the quantum

  3. Synthesis and characterization of hydroxyapatite-gelatine composite materials for orthopaedic application

    Energy Technology Data Exchange (ETDEWEB)

    Yanovska, A., E-mail: biophy@yandex.ru [Institute of Applied Physics, National Academy of Sciences of Ukraine, 58 Petropavlovskaya Str., 40000, Sumy (Ukraine); Sumy State University, Ministry of Education and Science of Ukraine, 2 R. Korsakova Str., 40007, Sumy (Ukraine); Kuznetsov, V. [Institute of Applied Physics, National Academy of Sciences of Ukraine, 58 Petropavlovskaya Str., 40000, Sumy (Ukraine); Sumy State University, Ministry of Education and Science of Ukraine, 2 R. Korsakova Str., 40007, Sumy (Ukraine); Stanislavov, A. [Institute of Applied Physics, National Academy of Sciences of Ukraine, 58 Petropavlovskaya Str., 40000, Sumy (Ukraine); Husak, E. [Institute of Applied Physics, National Academy of Sciences of Ukraine, 58 Petropavlovskaya Str., 40000, Sumy (Ukraine); Sumy State University, Ministry of Education and Science of Ukraine, 2 R. Korsakova Str., 40007, Sumy (Ukraine); Pogorielov, M. [Sumy State University, Ministry of Education and Science of Ukraine, 2 R. Korsakova Str., 40007, Sumy (Ukraine); Starikov, V. [National Technical University ”Kharkov Polytechnic Institute”, 21 Frunze Str., 61002, Kharkov (Ukraine); Bolshanina, S. [Sumy State University, Ministry of Education and Science of Ukraine, 2 R. Korsakova Str., 40007, Sumy (Ukraine); Danilchenko, S. [Institute of Applied Physics, National Academy of Sciences of Ukraine, 58 Petropavlovskaya Str., 40000, Sumy (Ukraine)

    2016-11-01

    The composite materials based on hydroxyapatite (HA) and gelatine (Gel) with addition of silver and zirconium oxide were obtained. The study investigates a combination of low powered ultrasonic irradiation and low concentration of gelatine in the co-precipitation synthesis. These composites have different weight ratios of organic/inorganic components and may be synthesized in two ways: simple mixing and co-precipitation. Both of which were compared. The estimation of porosity, in vivo testing, surface morphology and phase composition as well as the IR-analysis were provided. Hydroxyapatite was the main crystalline phase in obtained composites. While around powdered HA-Gel composite the connective tissue capsule is formed without bone tissue formation, HA-Gel-Ag porous composite implantation leads to formation of new bone tissue and activation of cell proliferation. Addition of silver ions into composite material allows decreasing inflammation on the first stage of implantation and has positive effect on bone tissue formation. Some of the obtained composite materials containing silver or ZrO{sub 2} are biocompatible. bio-resorbable and osteoconductive with high level of porosity (75–85%). - Highlights: • Hydroxyapatite-gelatine composites with addition of Ag{sup +} and ZrO{sub 2} were obtained. • Composites were synthesized in two ways: simple mixing and co-precipitation. • Co-precipitation synthesis combined ultrasonic treatment and low concentration of gelatine. • Obtained composites have different weight ratios of organic/inorganic components. • Some composites are osteoconductive and all of them have high level of porosity (75–85%).

  4. Optimization on electrochemical synthesis of HKUST-1 as candidate catalytic material for Green diesel production

    Science.gov (United States)

    Lestari, W. W.; Nugraha, R. E.; Winarni, I. D.; Adreane, M.; Rahmawati, F.

    2016-04-01

    In the effort to support the discovery of new renewable energy sources in Indonesia, biofuel is one of promising options. The conversion of vegetable oil into ready-biofuel, especially green diesel, needs several steps, one of which is a hydrogenation or hydro-deoxygenation reaction. In this case, the catalyst plays a very important role regarding to its activity and selectivity, and Metal-Organic Frameworks (MOFs) becoming a new generation of heterogeneous catalyst in this area. In this research, a preliminary study to optimize electrochemical synthesis of the catalytic material based on MOFs, namely HKUST-1 [Cu3(BTC)2], has been conducted. Some electrochemical reaction parameters were tested, for example by modifying the electrochemical synthetic conditions, i.e. by performing variation of voltages (12, 13, 14, and 15 Volt), temperatures (RT, 40, 60, and 80 °C) and solvents (ethanol, water, methanol and dimethyl-formamide (DMF)). Material characterization was carried out by XRD, SEM, FTIR, DTA/TG and SAA. The results showed that the optimum synthetic conditions of HKUST-1 are performed at room temperature in a solvent combination of water: ethanol (1: 1) and a voltage of 15 Volt for 2 hours. The XRD-analysis revealed that the resulted peaks are identical to the simulated powder pattern generated from single crystal data and comparable to the peaks of solvothermal method. However, the porosity of the resulting material through electrochemical method is still in the range of micro-pore according to IUPAC and 50% smaller than the porosity resulted from solvothermal synthesis. The corresponding compounds are thermally stable until 300 °C according to TG/DTA.

  5. Synthesis of nanodispersed filler for polymer composite materials of thermostatic purpose

    Directory of Open Access Journals (Sweden)

    PAVLENKO Vyacheslav Ivanovich

    2016-10-01

    Full Text Available The paper presents data on the synthesis of nanosized filler for nonpolar polymer matrix. Aqueous solution of sodium methylsiliconate with empirical formula CH3–Si(OH2ONa was used as the base component for the synthesis of nanosized filler. The production process of filler consists of several stages, these are the main ones: synthesizing of gel that was obtained in gel formation from sol colloidal solution – transformation of free-dispersed system (sol into connected-dispersed one; gel precipitation by centrifugation and washing from ion Na+; gel drying at temperature of 100оC to obtain a powder filler; dispersion in the mill to the particle size of 0,1–1 microns. To destroy globules and diminish particle size to nanoscale level the obtained material was exposed to dispersion in planetary mill with further sonication (22 Hz. To study the obtained filler X-ray, differential thermal and microscopic methods have been used. For quantification of colloidal component (nanoparticles in the suspension the centrifugation method was used at high speeds. It has been determined that the content of nanoparticles (up to 200 nm in the obtained substance is about 10%. Damping edge angle of the obtained material is 110–120оC, that shows high hydrophobic properties of the synthesized powder. The obtained material possesses high dispersiveness, hydrophobicity and silicone frame resistant to the temperature range up to 531оC (there are no significant chemical transformations except dealkylation and dehydration reactions. Thermal degradation of the synthesized filler distinctly observed at the temperaturemore than 531оC.

  6. An Investigation of Porous Structure of TiNi-Based SHS-Materials Produced at Different Initial Synthesis Temperatures

    Science.gov (United States)

    Khodorenko, V. N.; Anikeev, S. G.; Kokorev, O. V.; Yasenchuk, Yu. F.; Gunther, V. É.

    2018-02-01

    An investigation of structural characteristics and behavior of TiNi-based pore-permeable materials manufactured by the methods of selfpropagating high-temperature synthesis (SHS) at the initial synthesis temperatures T = 400 and 600°C is performed. It is shown that depending on the temperature regime, the resulting structure and properties of the material can differ. It is found out that the SHS-material produced at the initial synthesis temperature T = 400°C possesses the largest number of micropores in the pore wall surface structure due to a high phase inhomogeneity of the alloy. The regime of structure optimization of the resulting materials is described and the main stages of formation of the pore wall microporous surfaces are revealed. It is demonstrated that after optimization of the surface structure of a TiNi-based fine-pore alloy by its chemical etching, the fraction of micropores measuring in size less than 50 nm increased from 59 to 68%, while the number of pores larger than 1 μm increased twofold from 11 to 22%. In addition, peculiar features of interaction between certain cell cultures with the surface of the SHS-material manufactured at different initial synthesis temperatures are revealed. It is found out that the dynamics of the cell material integration depends on the pore wall surface morphology and dimensions of macropores.

  7. Model studies of methanol synthesis on copper catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, J.; Nakamura, I.; Uchijima, T. [Univ. of Tsukuba, Ibaraki (Japan); Watanabe, T. [Research Inst. of Innovative Technology for Earth, Kyoto (Japan); Fujitani, T. [National Inst. for Resources and Environment, Ibaraki (Japan)

    1996-12-31

    The synthesis of methanol by the hydrogenation of CO{sub 2} over Zn-deposited and Zn-free copper surfaces has been studied using an XPS apparatus combined with a high-pressure flow reactor (18 atm). It was shown that the Zn deposited on Cu(111) and poly-Cu acted as a promoter for methanol synthesis, while the Zn on Cu(110) and Cu(100) had no such a promotional effect. The turnover frequency (TOF) for Zn/Cu(111) linearly increased with Zn coverage below {Theta}Zn--0.19, and then decreased above {Theta}Zn=0.20. The optimum TOF obtained at {Theta}Zn--0-19 was thirteen-fold larger than TOF for the Zn-free Cu(111) surface. On the other hand, no promotional effect of Zn was observed for the reverse water-gas shift reaction on all the surfaces. The results indicate the formation of special sites for methanol synthesis on Zn/Cu(111). The Zn-deposited Cu(111) can be regarded as a model of Cu/ZnO catalysts because the TOF and the activation energy for methanol formation over the Zn-deposited Cu(111) were in fairly good agreement with those for the Cu/ZnO powder catalysts. The post-reaction surface analysis by XPS showed the formation of formate species (HCOOa). The formate coverage was proportional to the activity for methanol formation below {Theta}Zn=0.20, suggesting that the hydrogenation of the formate species is the rate-determining step of methanol formation. The formate species was stabilized by Zn species on Cu(111) in the absence of ZnO species. STM results on the Zn-deposited Cu(111) suggested the formation of a Cu-Zn surface alloy. The presence of special sites for methanol synthesis was also indicated in the results of powder catalysts.

  8. One-pot synthesis of silver@silica core-shell nanospheres and their application in optical limiting materials

    Science.gov (United States)

    Li, Chunfang; Wang, Chunlei; Ji, Zhaoyang; Jiang, Nengkai; Lin, Weihong; Li, Dongxiang

    2018-03-01

    Silica-coated metal nanoparticles are increasingly important for their many promising applications. A facile one-step synthesis of noble metal@silica core-shell nanospheres is necessary for their application in laser protection field. In this letter, a one-pot fabrication of silver@silica nanospheres was carried out, and then, silver nanoparticle-doped silicone rubber hybrid materials were prepared. Their optical limiting property to nanosecond laser was investigated and comparable optical limiting property with similar material involving multi-step synthesis of silica-coated metal nanoparticles was found.

  9. Exploring the interdependencies between parameters in a material model.

    Energy Technology Data Exchange (ETDEWEB)

    Silling, Stewart Andrew; Fermen-Coker, Muge

    2014-01-01

    A method is investigated to reduce the number of numerical parameters in a material model for a solid. The basis of the method is to detect interdependencies between parameters within a class of materials of interest. The method is demonstrated for a set of material property data for iron and steel using the Johnson-Cook plasticity model.

  10. Synthesis of Disentangled Ultra-High Molecular Weight Polyethylene: Influence of Reaction Medium on Material Properties

    Directory of Open Access Journals (Sweden)

    Giuseppe Forte

    2017-01-01

    Full Text Available The polymerization of ethylene to Ultra-High Molecular Weight Polyethylene (UHMWPE in certain reaction conditions allows synthesis of nascent powders with a considerably lower amount of entanglements: the material obtained is of great interest from both academic and industrial viewpoints. From an academic point of view, it is interesting to follow the evolution of the metastable melt state with the progressive entanglements formation. Industrially, it is valuable to have a solvent-free processing route for the production of high modulus, high strength tapes. Since the polymer synthesis is performed in the presence of a solvent, it is interesting to investigate the influence that the reaction medium can have on the catalyst activity, resultant molecular characteristics, and polymer morphology at the macroscopic as wells as microscopic level. In this paper, we present the effect that two typical polymerization solvents, toluene and heptane, and mixtures of them, have on the catalytic performance and on the polymer properties. The observations are that an unexpected increase of catalyst activity, accompanied by a significant improvement in mechanical properties, is found when using a carefully chosen mixture of solvents. A tentative explanation is given on the basis of the presented results.

  11. Synthesis, model and stability of helically coiled carbon nanotubes

    DEFF Research Database (Denmark)

    Fejes, Dora; Raffai, Manuella; Hernadi, Klara

    2013-01-01

    Structural model of helically coiled carbon nanotubes is proposed. It is constructed by means of topological coordinate method. Relaxation and cohesive energy calculation are performed by molecular mechanics, using second-generation bond order potential for hydrocarbons introduced by D. W. Brenner....... Our experiments focused on the production and development of catalysts for the synthesis of helically coiled CNTs (carbon nanotubes). The catalysts were tested in the decomposition of acetylene by CCVD (Catalytic Chemical Vapor Deposition) method. The carbon deposit was imaged by TEM (Transmission...

  12. Generalized continua as models for classical and advanced materials

    CERN Document Server

    Forest, Samuel

    2016-01-01

    This volume is devoted to an actual topic which is the focus world-wide of various research groups. It contains contributions describing the material behavior on different scales, new existence and uniqueness theorems, the formulation of constitutive equations for advanced materials. The main emphasis of the contributions is directed on the following items - Modelling and simulation of natural and artificial materials with significant microstructure, - Generalized continua as a result of multi-scale models, - Multi-field actions on materials resulting in generalized material models, - Theories including higher gradients, and - Comparison with discrete modelling approaches.

  13. High pressure synthesis of novel, zeolite based nano-composite materials

    Science.gov (United States)

    Santoro, Mario

    2013-06-01

    Meso/micro-porous solids such as zeolites are complex materials exhibiting an impressive range of applications, including molecular sieve, gas storage, catalysis, electronics and photonics. We used these materials, particularly non catalytic zeolites in an entirely different fashion. In fact, we performed high pressure (0.5-30 GPa) chemical reactions of simple molecules on a sub-nanometer scale in the channels of a pure SiO2 zeolite, silicalite to obtain unique nano-composite materials with drastically modified physical and chemical properties. Our material investigations are based on a combination of X-ray diffraction and optical spectroscopy techniques in the diamond anvil cell. I will first briefly show how silicalite can be easily filled by simple molecules such as Ar, CO2 and C2H4 among others from the fluid phase at high pressures, and how this efficient filling removes the well known pressure induced amorphization of the silica framework (Haines et al., JACS 2010). I will then present on a silicon carbonate crystalline phase synthesized by reacting silicalite and molecular CO2 that fills the nano-pores, at 18-26 GPa and 600-980 K; after the synthesis the compound is temperature quenched and it results to be slightly metastable at room conditions (Santoro et al., PNAS 2011). On the other hand, a stable at room condition spectacular crystalline nano-composite is obtained by photo-polymerizing ethylene at 0.5-1.5 GPa under UV (351-364 nm) irradiation in the channels of silicalite (Santoro et al., Nat. Commun, in press 2013). For this composite we obtained a structure with single polyethylene chains adapting very well to the confining channels, which results in significant increases in bulk modulus and density, and the thermal expansion coefficient changes sign from negative to positive with respect to the original silicalite host. Mechanical properties may thus be tuned by varying the amount of polymerized ethylene. We then think our findings could allow the

  14. Synthesis of linear polyether polyol derivatives as new materials for bioconjugation.

    Science.gov (United States)

    Li, Zhongyu; Chau, Ying

    2009-04-01

    Linear polyether polyol (PEP) consisting of glycidol as repeating units is a flexible hydrophilic aliphatic polymer. The polyether main chain is similar to the widely used, biocompatible polymer poly(ethylene glycol) (PEG). While linear PEG has one or two terminal hydroxyl group(s), linear PEP distinguishes itself by the large number of pendant hydroxyl groups along the polyether main chain. We propose that this property of PEP represents a major advantage over PEG, namely, by providing multiple anchorage points and increasing the possibility for introducing different functional groups. As a first step to establishing PEP as a bioconjugation material, we modified the pendant hydroxyl groups on PEP and prepared a series of mono- and heterobifunctional derivatives with the potential to join various drug entities and biomolecules. The synthesis methods and the results of characterization are reported here.

  15. Low thermal conductivity CoSb3 materials prepared by rapid synthesis process

    Science.gov (United States)

    Deng, L.; Ni, J.; Qin, J. M.; Ma, H. A.; Jia, X. P.

    2018-02-01

    Nano-particles and defects have effective influence on reducing the lattice thermal conductivity. In this work, a serious of high concentration Te doping bulk polycrystalline materials Co4Sb11.2Te0.8 has been synthesized successfully at different pressures by the high pressure and high temperature (HPHT) method. All samples were characterized by X-ray diffraction. The Seebeck coefficient α, electrical resistivity ρ and thermal conductivity κ were all measured from 373 K to 673 K. It could be observed obviously that, as the synthesis pressure rised, the thermal conductivity of Co4Sb11.2Te0.8 decreased remarkably. The minimum thermal conductivity of 1.36 W m-1 K-1 was obtained by Co4Sb11.2Te0.8 sample synthesized at 3.7 GPa. The corresponding microstructures were also studied by SEM and HRTEM images.

  16. Rare earth based nanostructured materials: synthesis, functionalization, properties and bioimaging and biosensing applications

    Directory of Open Access Journals (Sweden)

    Escudero Alberto

    2017-06-01

    Full Text Available Rare earth based nanostructures constitute a type of functional materials widely used and studied in the recent literature. The purpose of this review is to provide a general and comprehensive overview of the current state of the art, with special focus on the commonly employed synthesis methods and functionalization strategies of rare earth based nanoparticles and on their different bioimaging and biosensing applications. The luminescent (including downconversion, upconversion and permanent luminescence and magnetic properties of rare earth based nanoparticles, as well as their ability to absorb X-rays, will also be explained and connected with their luminescent, magnetic resonance and X-ray computed tomography bioimaging applications, respectively. This review is not only restricted to nanoparticles, and recent advances reported for in other nanostructures containing rare earths, such as metal organic frameworks and lanthanide complexes conjugated with biological structures, will also be commented on.

  17. Rare earth based nanostructured materials: synthesis, functionalization, properties and bioimaging and biosensing applications

    Science.gov (United States)

    Escudero, Alberto; Becerro, Ana I.; Carrillo-Carrión, Carolina; Núñez, Nuria O.; Zyuzin, Mikhail V.; Laguna, Mariano; González-Mancebo, Daniel; Ocaña, Manuel; Parak, Wolfgang J.

    2017-06-01

    Rare earth based nanostructures constitute a type of functional materials widely used and studied in the recent literature. The purpose of this review is to provide a general and comprehensive overview of the current state of the art, with special focus on the commonly employed synthesis methods and functionalization strategies of rare earth based nanoparticles and on their different bioimaging and biosensing applications. The luminescent (including downconversion, upconversion and permanent luminescence) and magnetic properties of rare earth based nanoparticles, as well as their ability to absorb X-rays, will also be explained and connected with their luminescent, magnetic resonance and X-ray computed tomography bioimaging applications, respectively. This review is not only restricted to nanoparticles, and recent advances reported for in other nanostructures containing rare earths, such as metal organic frameworks and lanthanide complexes conjugated with biological structures, will also be commented on.

  18. Synthesis of Macroporous Silica Particles by Continuous Generation of Droplets for Insulating Materials.

    Science.gov (United States)

    Cho, Young-Sang; Lee, Dokyoung

    2018-09-01

    We report on the synthesis of porous silica particles by self-assembly routes in a continuous manner for application to thermal insulators. A continuous process was employed to produce tiny droplets containing precursor materials such as silica and organic templates for self-organization to fabricate particles with well defined pores. A rotating cylinder system or a spray drying process was adopted to form emulsions or aerosol droplets as micro-reactors for self-assembly, and the physical properties including the thermal conductivity of the resulting porous particles were compared between the two methods. The porous particles could be coated as a thick film by solution dripping, and the fluorination treatment using a silane coupling agent was performed to produce superhydrophobic surfaces of insulating layers by a lotus effect.

  19. Low-reactive circulating fluidized bed combustion (CFBC) fly ashes as source material for geopolymer synthesis.

    Science.gov (United States)

    Xu, Hui; Li, Qin; Shen, Lifeng; Zhang, Mengqun; Zhai, Jianping

    2010-01-01

    In this contribution, low-reactive circulating fluidized bed combustion (CFBC) fly ashes (CFAs) have firstly been utilized as a source material for geopolymer synthesis. An alkali fusion process was employed to promote the dissolution of Si and Al species from the CFAs, and thus to enhance the reactivity of the ashes. A high-reactive metakaolin (MK) was also used to consume the excess alkali needed for the fusion. Reactivities of the CFAs and MK were examined by a series of dissolution tests in sodium hydroxide solutions. Geopolymer samples were prepared by alkali activation of the source materials using a sodium silicate solution as the activator. The synthesized products were characterized by mechanical testing, scanning electron microscopy (SEM), X-ray diffractography (XRD), as well as Fourier transform infrared spectroscopy (FTIR). The results of this study indicate that, via enhancing the reactivity by alkali fusion and balancing the Na/Al ratio by additional aluminosilicate source, low-reactive CFAs could also be recycled as an alternative source material for geopolymer production.

  20. Recent progress in layered double hydroxide based materials for electrochemical capacitors: design, synthesis and performance.

    Science.gov (United States)

    Zhao, Mingming; Zhao, Qunxing; Li, Bing; Xue, Huaiguo; Pang, Huan; Chen, Changyun

    2017-10-19

    As representative two-dimensional (2D) materials, layered double hydroxides (LDHs) have received increasing attention in electrochemical energy storage and conversion because of the facile tunability between their composition and morphology. The high dispersion of active species in layered arrays, the simple exfoliation into monolayer nanosheets and chemical modification offer the LDHs an opportunity as active electrode materials in electrochemical capacitors (ECs). LDHs are favourable in providing large specific surface areas, good transport features as well as attractive physicochemical properties. In this review, our purpose is to provide a detailed summary of recent developments in the synthesis and electrochemical performance of the LDHs. Their composites with carbon (carbon quantum dots, carbon black, carbon nanotubes/nanofibers, graphene/graphene oxides), metals (nickel, platinum, silver), metal oxides (TiO 2 , Co 3 O 4 , CuO, MnO 2 , Fe 3 O 4 ), metal sulfides/phosphides (CoS, NiCo 2 S 4 , NiP), MOFs (MOF derivatives) and polymers (PEDOT:PSS, PPy (polypyrrole), P(NIPAM-co-SPMA) and PET) are also discussed in this review. The relationship between structures and electrochemical properties as well as the associated charge-storage mechanisms is discussed. Moreover, challenges and prospects of the LDHs for high-performance ECs are presented. This review sheds light on the sustainable development of ECs with LDH based electrode materials.

  1. Synthesis of copper graphene materials functionalized by amino acids and their catalytic applications.

    Science.gov (United States)

    Huang, Qiang; Zhou, Limei; Jiang, Xiaohui; Zhou, Yafen; Fan, Hongwei; Lang, Wencheng

    2014-08-27

    Graphene oxide and its derivative have attracted extensive interests in many fields, including catalytic chemistry, organic synthesis, and electrochemistry, recently. We explored whether the use of graphene after chemical modification with amino acids to immobilize copper nanoparticles could achieve a more excellent catalytic activity for N-arylation reactions. A facile and novel method to prepare copper supported on amino-acid-grafted graphene hybrid materials (A-G-Cu) was first reported. The as-prepared hybrid materials were characterized by a variety of techniques, including Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, X-ray diffraction, scanning electron microscopy, atomic force microscopy, transmission electron microscopy, and inductively coupled plasma-atomic emission spectrometry. The results showed that the morphology, distribution, and loading of copper nanoparticles could be well-adjusted by controlling the type of amino acids grafted on graphene. Moreover, most A-G-Cu hybrid materials could catalyze N-arylation of imidazole with iodobenzene with yields more than 90%, while the copper supported on graphene (G-Cu) displayed a yield of just 65.8%. The high activity of A-G-Cu can be ascribed to the good synergistic effects of copper nanoparticles (Cu NPs) and amino-acid-grafted graphene.

  2. Hydrothermal synthesis of nanostructured graphene/polyaniline composites as high-capacitance electrode materials for supercapacitors

    Science.gov (United States)

    Wang, Ronghua; Han, Meng; Zhao, Qiannan; Ren, Zonglin; Guo, Xiaolong; Xu, Chaohe; Hu, Ning; Lu, Li

    2017-03-01

    As known to all, hydrothermal synthesis is a powerful technique for preparing inorganic and organic materials or composites with different architectures. In this reports, by controlling hydrothermal conditions, nanostructured polyaniline (PANi) in different morphologies were composited with graphene sheets (GNS) and used as electrode materials of supercapacitors. Specifically, ultrathin PANi layers with total thickness of 10-20 nm are uniformly composited with GNS by a two-step hydrothermal-assistant chemical oxidation polymerization process; while PANi nanofibers with diameter of 50~100 nm are obtained by a one-step direct hydrothermal process. Benefitting from the ultrathin layer and porous structure, the sheet-like GNS/PANi composites can deliver specific capacitances of 532.3 to 304.9 F/g at scan rates of 2 to 50 mV/s. And also, this active material showed very good stability with capacitance retention as high as ~99.6% at scan rate of 50 mV/s, indicating a great potential for using in supercapacitors. Furthermore, the effects of hydrothermal temperatures on the electrochemical performances were systematically studied and discussed.

  3. Geometric Shape Regulation and Noncovalent Synthesis of One-Dimensional Organic Luminescent Nano-/Micro-Materials.

    Science.gov (United States)

    Song, Xiaoxian; Zhang, Zuolun; Zhang, Shoufeng; Wei, Jinbei; Ye, Kaiqi; Liu, Yu; Marder, Todd B; Wang, Yue

    2017-08-03

    Noncovalent synthesis of one-dimensional (1D) organic nano-/micro-materials with controllable geometric shapes or morphologies and special luminescent and electronic properties is one of the greatest challenges in modern chemistry and material science. Control of noncovalent interactions is fundamental for realizing desired 1D structures and crucial for understanding the functions of these interactions. Here, a series of thiophene-fused phenazines composed of a halogen-substituted π-conjugated plate and a pair of flexible side chains is presented, which displays halogen-dependent 1D self-assemblies. Luminescent 1D twisted wires, straight rods, and zigzag wires, respectively, can be generated in sequence when the halogen atoms are varied from the lightest F to the heaviest I. It was demonstrated that halogen-dependent anisotropic noncovalent interactions and mirror-symmetrical crystallization dominated the 1D-assembly behaviors of this class of molecules. The methodology developed in this study provides a potential strategy for constructing 1D organic materials with unique optoelectronic functions.

  4. Recent progress in low-voltage cathodoluminescent materials: synthesis, improvement and emission properties.

    Science.gov (United States)

    Li, Guogang; Lin, Jun

    2014-01-01

    Nowadays there are several technologies used for flat panel displays (FPDs) and the development of FPDs with enhanced energy efficiency and improved display quality is strongly required. Field emission displays (FEDs) have been considered as one of the most promising next generation flat panel display technologies due to their excellent display performance and low energy consumption. For the development of FEDs, phosphors are irreplaceable components. In the past decade, the study of highly efficient low-voltage cathodoluminescent materials, namely FED phosphors, has become the focus of enhancing energy efficiency and realizing high-quality displays. This review summaries the recent progress in the chemical synthesis and improvement of novel, rare-earth and transition metal ions activated inorganic cathodoluminescent materials in powder and thin film forms. The discussion is focused on the modification of morphology, size, surface, composition and conductivity of phosphors and the corresponding effects on their cathodoluminescent properties. Special emphases are given to the selection of host and luminescent centers, the adjustment of emission colors through doping concentration optimization, energy transfer and mono- or co-doping activator ions, the improvement of chromaticity, color stability and color gamut as well as the saturation behavior and the degradation behavior of phosphors under the excitation of a low-voltage electron beam. Finally, the research prospects and future directions of FED phosphors are discussed with recommendations to facilitate the further study of new and highly efficient low-voltage cathodoluminescent materials.

  5. Nebular Continuum and Line Emission in Stellar Population Synthesis Models

    Science.gov (United States)

    Byler, Nell; Dalcanton, Julianne J.; Conroy, Charlie; Johnson, Benjamin D.

    2017-05-01

    Accounting for nebular emission when modeling galaxy spectral energy distributions (SEDs) is important, as both line and continuum emissions can contribute significantly to the total observed flux. In this work, we present a new nebular emission model integrated within the Flexible Stellar Population Synthesis code that computes the line and continuum emission for complex stellar populations using the photoionization code Cloudy. The self-consistent coupling of the nebular emission to the matched ionizing spectrum produces emission line intensities that correctly scale with the stellar population as a function of age and metallicity. This more complete model of galaxy SEDs will improve estimates of global gas properties derived with diagnostic diagrams, star formation rates based on Hα, and physical properties derived from broadband photometry. Our models agree well with results from other photoionization models and are able to reproduce observed emission from H II regions and star-forming galaxies. Our models show improved agreement with the observed H II regions in the Ne III/O II plane and show satisfactory agreement with He II emission from z = 2 galaxies, when including rotating stellar models. Models including post-asymptotic giant branch stars are able to reproduce line ratios consistent with low-ionization emission regions. The models are integrated into current versions of FSPS and include self-consistent nebular emission predictions for MIST and Padova+Geneva evolutionary tracks.

  6. A probabilistic model for component-based shape synthesis

    KAUST Repository

    Kalogerakis, Evangelos

    2012-07-01

    We present an approach to synthesizing shapes from complex domains, by identifying new plausible combinations of components from existing shapes. Our primary contribution is a new generative model of component-based shape structure. The model represents probabilistic relationships between properties of shape components, and relates them to learned underlying causes of structural variability within the domain. These causes are treated as latent variables, leading to a compact representation that can be effectively learned without supervision from a set of compatibly segmented shapes. We evaluate the model on a number of shape datasets with complex structural variability and demonstrate its application to amplification of shape databases and to interactive shape synthesis. © 2012 ACM 0730-0301/2012/08-ART55.

  7. Current state of laser synthesis of metal and alloy nanoparticles as ligand-free reference materials for nano-toxicological assays

    Directory of Open Access Journals (Sweden)

    Christoph Rehbock

    2014-09-01

    Full Text Available Due to the abundance of nanomaterials in medical devices and everyday products, toxicological effects related to nanoparticles released from these materials, e.g., by mechanical wear, are a growing matter of concern. Unfortunately, appropriate nanoparticles required for systematic toxicological evaluation of these materials are still lacking. Here, the ubiquitous presence of surface ligands, remaining from chemical synthesis are a major drawback as these organic residues may cause cross-contaminations in toxicological studies. Nanoparticles synthesized by pulsed laser ablation in liquid are a promising alternative as this synthesis route provides totally ligand-free nanoparticles. The first part of this article reviews recent methods that allow the size control of laser-fabricated nanoparticles, focusing on laser post irradiation, delayed bioconjugation and in situ size quenching by low salinity electrolytes. Subsequent or parallel applications of these methods enable precise tuning of the particle diameters in a regime from 4–400 nm without utilization of any artificial surface ligands. The second paragraph of this article highlights the recent progress concerning the synthesis of composition controlled alloy nanoparticles by laser ablation in liquids. Here, binary and ternary alloy nanoparticles with totally homogeneous elemental distribution could be fabricated and the composition of these particles closely resembled bulk implant material. Finally, the model AuAg was used to systematically evaluate composition related toxicological effects of alloy nanoparticles. Here Ag+ ion release is identified as the most probable mechanism of toxicity when recent toxicological studies with gametes, mammalian cells and bacteria are considered.

  8. Data mining for better material synthesis: The case of pulsed laser deposition of complex oxides

    Science.gov (United States)

    Young, Steven R.; Maksov, Artem; Ziatdinov, Maxim; Cao, Ye; Burch, Matthew; Balachandran, Janakiraman; Li, Linglong; Somnath, Suhas; Patton, Robert M.; Kalinin, Sergei V.; Vasudevan, Rama K.

    2018-03-01

    The pursuit of more advanced electronics, and finding solutions to energy needs often hinges upon the discovery and optimization of new functional materials. However, the discovery rate of these materials is alarmingly low. Much of the information that could drive this rate higher is scattered across tens of thousands of papers in the extant literature published over several decades but is not in an indexed form, and cannot be used in entirety without substantial effort. Many of these limitations can be circumvented if the experimentalist has access to systematized collections of prior experimental procedures and results. Here, we investigate the property-processing relationship during growth of oxide films by pulsed laser deposition. To do so, we develop an enabling software tool to (1) mine the literature of relevant papers for synthesis parameters and functional properties of previously studied materials, (2) enhance the accuracy of this mining through crowd sourcing approaches, (3) create a searchable repository that will be a community-wide resource enabling material scientists to leverage this information, and (4) provide through the Jupyter notebook platform, simple machine-learning-based analysis to learn the complex interactions between growth parameters and functional properties (all data/codes available on https://github.com/ORNL-DataMatls). The results allow visualization of growth windows, trends and outliers, which can serve as a template for analyzing the distribution of growth conditions, provide starting points for related compounds and act as a feedback for first-principles calculations. Such tools will comprise an integral part of the materials design schema in the coming decade.

  9. Analysis of the Economic Impact of Large-Scale Deployment of Biomass Resources for Energy and Materials in the Netherlands. Macro-economics biobased synthesis report

    International Nuclear Information System (INIS)

    Hoefnagels, R.; Dornburg, V.; Faaij, A.; Banse, M.

    2009-03-01

    The Bio-based Raw Materials Platform (PGG), part of the Energy Transition in The Netherlands, commissioned the Agricultural Economics Research Institute (LEI) and the Copernicus Institute of Utrecht University to conduct research on the macro-economic impact of large scale deployment of biomass for energy and materials in the Netherlands. Two model approaches were applied based on a consistent set of scenario assumptions: a bottom-up study including technoeconomic projections of fossil and bio-based conversion technologies and a topdown study including macro-economic modelling of (global) trade of biomass and fossil resources. The results of the top-down and bottom-up modelling work are reported separately. The results of the synthesis of the modelling work are presented in this report

  10. Open flow hot isostatic pressing assisted synthesis of highly porous materials and catalysts

    Science.gov (United States)

    Siadati, Mohammad Hossein

    Open-flow hot isostatic pressing (OFHIP) technique is applied for synthesizing molecular sieves and highly porous catalytic materials. First, the isostatic pressure is applied to the starting material/catalyst precursor, and then heat is applied. Under this condition, as the organic components gradually decompose and leave the material, the voids left behind are immediately filled/replaced by the gas (pressure medium) in flow. This substitution warrants the preservation as well as the uniformity of the voids/pores. The result is a very porous material with very uniform pore size distribution. Another advantage is the production of the catalyst directly from the precursor, in the absence of solvent (neat), rendering the process simpler and less costly than previous processes. The entire process takes place under flow of the gas that is used as medium to develop the isostatic pressure. Consequently, the entire process, as well as the final product produced, is devoid of any undesirable residues. This endeavor also introduces a viable technique for mass-producing porous materials/catalysts. The resulting materials are termed "amorphous sulfide sieves" to reflect their unique properties that include high surface area, narrow pore size distribution and high activity. The catalysts are potentially licensable to all petroleum and petroleum chemical companies for a wide variety of environmental and product improvement purposes. The results obtained on unpromoted samples synthesized at 300°C indicate that as the synthesis pressure is increased, both surface area and catalytic activity of the materials produced increase. The increase in activity k value from 3 to 6 x 10-7 mol/g.s corresponds to increase in pressure from 100 to 800 psi, respectively. The N2 gas used as pressure medium results in highly porous materials but low activity. H 2 seems to be the ideal gas for both pressure medium and reducing agent. Co-promoted catalysts synthesized at 1400 psi and 300°C show

  11. Design, synthesis, and initial evaluation of D-glyceraldehyde crosslinked gelatin-hydroxyapatite as a potential bone graft substitute material

    Science.gov (United States)

    Florschutz, Anthony Vatroslav

    Utilization of bone grafts for the treatment of skeletal pathology is a common practice in orthopaedic, craniomaxillofacial, dental, and plastic surgery. Autogenous bone graft is the established archetype but has disadvantages including donor site morbidity, limited supply, and prolonging operative time. In order to avoid these and other issues, bone graft substitute materials are becoming increasingly prevalent among surgeons for reconstructing skeletal defects and arthrodesis applications. Bone graft substitutes are biomaterials, biologics, and guided tissue/bone regenerative devices that can be used alone or in combinations as supplements or alternatives to autogenous bone graft. There is a growing interest and trend to specialize graft substitutes for specific indications and although there is good rationale for this indication-specific approach, the development and utility of a more universal bone graft substitute may provide a better answer for patients and surgeons. The aim of the present research focuses on the design, synthesis, and initial evaluation of D-glyceraldehyde crosslinked gelatin-hydroxyapatite composites for potential use as a bone graft substitutes. After initial establishment of rational material design, gelatinhydroxyapatite scaffolds were fabricated with different gelatin:hydroxyapatite ratios and crosslinking concentrations. The synthesized scaffolds were subsequently evaluated on the basis of their swelling behavior, porosity, density, percent composition, mechanical properties, and morphology and further assessed with respect to cell-biomaterial interaction and biomineralization in vitro. Although none of the materials achieved mechanical properties suitable for structural graft applications, a reproducible material design and synthesis was achieved with properties recognized to facilitate bone formation. Select scaffold formulations as well as a subset of scaffolds loaded with recombinant human bone morphogenetic protein-2 were

  12. Toward Modeling Limited Plasticity in Ceramic Materials

    National Research Council Canada - National Science Library

    Grinfeld, Michael; Schoenfeld, Scott E; Wright, Tim W

    2008-01-01

    The characteristic features of many armor-related ceramic materials are the anisotropy on the micro-scale level and the very limited, though non-vanishing, plasticity due to limited number of the planes for plastic slip...

  13. Modeling Thermal Ignition of Energetic Materials

    National Research Council Canada - National Science Library

    Gerri, Norman J; Berning, Ellen

    2004-01-01

    This report documents an attempt to computationally simulate the mechanics and thermal regimes created when a threat perforates an armor envelope and comes in contact with stowed energetic material...

  14. Modeling of Landslides with the Material Point Method

    DEFF Research Database (Denmark)

    Andersen, Søren Mikkel; Andersen, Lars

    2008-01-01

    A numerical model for studying the dynamic evolution of landslides is presented. The numerical model is based on the Generalized Interpolation Material Point Method. A simplified slope with a house placed on top is analysed. An elasto-plastic material model based on the Mohr-Coulomb yield criterion...

  15. Synthesis of inorganic materials in a supercritical carbon dioxide medium. Application to ceramic cross-flow filtration membranes preparation

    International Nuclear Information System (INIS)

    Papet, Sebastien

    2000-01-01

    Membrane separations, using cross-flow mineral ceramic membranes, allows fractionation of aqueous solutions due to the molecular sieve effect and electrostatic charges. To obtain a high selectivity, preparation of new selective ceramic membranes is necessary. We propose in this document two different routes to prepare such cross-flow tubular mineral membranes. In the first exposed method, a ceramic material is used, titanium dioxide, synthesized in supercritical carbon dioxide by the hydrolysis of an organometallic precursor of the oxide. The influence of operating parameters is similar to what is observed during a liquid-phase synthesis (sol-gel process), and leads us to control the size and texture of the prepared particles. This material is then used to prepare mineral membrane with a compressed layer process. The particles are mixed with organic components to form a liquid suspension. A layer is then deposited on the internal surface of a tubular porous support by slip-casting. The layer is then dried and compressed on the support before sintering. The obtained membranes arc in the ultrafiltration range. A second process has been developed in this work. It consists on the hydrolysis, in a supercritical CO 2 medium, of a precursor of titanium dioxide infiltrated into the support. The obtained material is then both deposited on the support but also infiltrated into the porosity. This new method leads to obtain ultrafiltration membranes that retain molecules which molecular weight is round 4000 g.mol -1 . Furthermore, we studied mass transfer mechanisms in cross-flow filtration of aqueous solutions. An electrostatic model, based on generalized Nernst-Planck equation that takes into account electrostatic interactions between solutes and the ceramic material, lead us to obtain a good correlation between experimental results and the numerical simulation. (author) [fr

  16. Fast Synthesis of Pt Nanocrystals and Pt/Microporous La2O3 Materials Using Acoustic Levitation

    Science.gov (United States)

    Yu, Yinkai; Qu, Shaohua; Zang, Duyang; Wang, Liuding; Wu, Hongjing

    2018-02-01

    Usually, we must use an appropriate support material to keep the metal species stable and finely dispersed as supported metal nanoparticles for industry application. Therefore, the choice of support material is a key factor in determining the dispersion and particle size of the noble metal species. Here, we report the synthesis of a single-atom Pt material in the solution and supported Pt nanoclusters on microporous La2O3 by a one-step acoustic levitation method without any pretreatment/modification of raw oxide. We have strongly contributed to the synthetic methodology of the surface/interfacial heterogeneous catalysts in this study, and this finding could open another door for synthesis of supported metal nanoparticles on porous materials for environmental catalysis.

  17. Modeling & processing of ceramic and polymer precursor ceramic matrix composite materials

    Science.gov (United States)

    Wang, Xiaolin

    Synthesis and processing of novel materials with various advanced approaches have attracted much attention of engineers and scientists for the past thirty years. Many advanced materials display a number of exceptional properties and can be produced with different novel processing techniques. For example, AlN is a promising candidate for electronic, optical and opto-electronic applications due to its high thermal conductivity, high electrical resistivity, high acoustic wave velocity and large band gap. Large bulk AlN crystal can be produced by sublimation of AlN powder. Novel nonostructured multicomponent refractory metal-based ceramics (carbides, borides and nitrides) show a lot of exceptional mechanical, thermal and chemical properties, and can be easily produced by pyrolysis of suitable preceramic precursors mixed with metal particles. The objective of this work is to study sublimation and synthesis of AlN powder, and synthesis of SiC-based metal ceramics. For AlN sublimation crystal growth, we will focus on modeling the processes in the powder source that affect significantly the sublimation growth as a whole. To understand the powder porosity evolution and vapor transport during powder sublimation, the interplay between vapor transport and powder sublimation will be studied. A physics-based computational model will be developed considering powder sublimation and porosity evolution. Based on the proposed model, the effect of a central hole in the powder on the sublimation rate is studied and the result is compared to the case of powder without a hole. The effect of hole size on the sublimation rate will be studied. The effects of initial porosity, particle size and driving force on the sublimation rate are also studied. Moreover, the optimal growth condition for large diameter crystal quality and high growth rate will be determined. For synthesis of SiC-based metal ceramics, we will focus on developing a multi-scale process model to describe the dynamic behavior

  18. Predictive modelling-based design and experiments for synthesis and spinning of bioinspired silk fibres

    Science.gov (United States)

    Gronau, Greta; Jacobsen, Matthew M.; Huang, Wenwen; Rizzo, Daniel J.; Li, David; Staii, Cristian; Pugno, Nicola M.; Wong, Joyce Y.; Kaplan, David L.; Buehler, Markus J.

    2016-01-01

    Scalable computational modelling tools are required to guide the rational design of complex hierarchical materials with predictable functions. Here, we utilize mesoscopic modelling, integrated with genetic block copolymer synthesis and bioinspired spinning process, to demonstrate de novo materials design that incorporates chemistry, processing and material characterization. We find that intermediate hydrophobic/hydrophilic block ratios observed in natural spider silks and longer chain lengths lead to outstanding silk fibre formation. This design by nature is based on the optimal combination of protein solubility, self-assembled aggregate size and polymer network topology. The original homogeneous network structure becomes heterogeneous after spinning, enhancing the anisotropic network connectivity along the shear flow direction. Extending beyond the classical polymer theory, with insights from the percolation network model, we illustrate the direct proportionality between network conductance and fibre Young's modulus. This integrated approach provides a general path towards de novo functional network materials with enhanced mechanical properties and beyond (optical, electrical or thermal) as we have experimentally verified. PMID:26017575

  19. Predictive modelling-based design and experiments for synthesis and spinning of bioinspired silk fibres.

    Science.gov (United States)

    Lin, Shangchao; Ryu, Seunghwa; Tokareva, Olena; Gronau, Greta; Jacobsen, Matthew M; Huang, Wenwen; Rizzo, Daniel J; Li, David; Staii, Cristian; Pugno, Nicola M; Wong, Joyce Y; Kaplan, David L; Buehler, Markus J

    2015-05-28

    Scalable computational modelling tools are required to guide the rational design of complex hierarchical materials with predictable functions. Here, we utilize mesoscopic modelling, integrated with genetic block copolymer synthesis and bioinspired spinning process, to demonstrate de novo materials design that incorporates chemistry, processing and material characterization. We find that intermediate hydrophobic/hydrophilic block ratios observed in natural spider silks and longer chain lengths lead to outstanding silk fibre formation. This design by nature is based on the optimal combination of protein solubility, self-assembled aggregate size and polymer network topology. The original homogeneous network structure becomes heterogeneous after spinning, enhancing the anisotropic network connectivity along the shear flow direction. Extending beyond the classical polymer theory, with insights from the percolation network model, we illustrate the direct proportionality between network conductance and fibre Young's modulus. This integrated approach provides a general path towards de novo functional network materials with enhanced mechanical properties and beyond (optical, electrical or thermal) as we have experimentally verified.

  20. Modeling release of chemicals from multilayer materials into food

    Directory of Open Access Journals (Sweden)

    Huang Xiu-Ling

    2016-01-01

    Full Text Available The migration of chemicals from materials into food is predictable by various mathematical models. In this article, a general mathematical model is developed to quantify the release of chemicals through multilayer packaging films based on Fick's diffusion. The model is solved numerically to elucidate the effects of different diffusivity values of different layers, distribution of chemical between two adjacent layers and between material and food, mass transfer at the interface of material and food on the migration process.

  1. Sol–gel one-pot synthesis in soft conditions of mesoporous silica materials ready for drug delivery system

    NARCIS (Netherlands)

    Tourne-Peteilh, C.; Begu, S.; Lerner, D.A.; Galarneau, A.; Lafont, U.; Devoiselle, J.M.

    2011-01-01

    The present work reveals a new and simple strategy, a one-step sol–gel procedure, to encapsulate a low water-soluble drug in silica mesostructured microparticles and to improve its release in physiological media. The synthesis of these new materials is based on the efficient solubilisation of a

  2. Method and apparatus for modeling, visualization and analysis of materials

    KAUST Repository

    Aboulhassan, Amal

    2016-08-25

    A method, apparatus, and computer readable medium are provided for modeling of materials and visualization of properties of the materials. An example method includes receiving data describing a set of properties of a material, and computing, by a processor and based on the received data, geometric features of the material. The example method further includes extracting, by the processor, particle paths within the material based on the computed geometric features, and geometrically modeling, by the processor, the material using the geometric features and the extracted particle paths. The example method further includes generating, by the processor and based on the geometric modeling of the material, one or more visualizations regarding the material, and causing display, by a user interface, of the one or more visualizations.

  3. Synthesis of partial stabilized cement–gypsum as new dental retrograde filling material

    International Nuclear Information System (INIS)

    Sadhasivam, S.; Chen, Jung-Chih; Savitha, S.; Hsu, Ming-Xiang; Hsu, Chung-King; Lin, Chun-Pin; Lin, Feng-Huei

    2012-01-01

    The study describes the sol–gel synthesis of a new dental retrograde filling material partial stabilized cement (PSC)–gypsum by adding different weight percentage of gypsum (25% PSC + 75% gypsum, 50% PSC + 50% gypsum and 75% PSC + 25% gypsum) to the PSC. The crystalline phase and hydration products of PSC–gypsum were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM) analysis. The handling properties such as setting time, viscosity, tensile strength, porosity and pH, were also studied. The XRD and microstructure analysis demonstrated the formation of hydroxyapatite and removal of calcium dihydrate during its immersion in simulated body fluid (SBF) on day 10 for 75% PSC + 25% gypsum. The developed PSC–gypsum not only improved the setting time but also greatly reduced the viscosity, which is very essential for endodontic surgery. The cytotoxic and cell proliferation studies indicated that the synthesized material is highly biocompatible. The increased alkaline pH of the PSC–gypsum also had a remarkable antibacterial activity. - Highlights: ► A new dental retrograde filling material PSC–gypsum was developed. ► PSC–gypsum cement has shown excellent initial and final setting time as 15–35 min. ► It not only improved the setting time but also retain the viscosity, 2 Pa·s. ► High alkaline pH of the cement had a remarkable antibacterial activity. ► Cytotoxicity studies revealed that the synthesized material is highly biocompatible.

  4. Synthesis of partial stabilized cement-gypsum as new dental retrograde filling material

    Energy Technology Data Exchange (ETDEWEB)

    Sadhasivam, S. [Institute of Biomedical Engineering, National Taiwan University, Taipei, Taiwan (China); Division of Medical Engineering Research, National Health Research Institute, Zhunan, Miaoli County, Taiwan (China); Chen, Jung-Chih [Institute of Biomedical Engineering, National Taiwan University, Taipei, Taiwan (China); Medical Device Innovation Center, National Cheng Kung University, Tainan,Taiwan (China); Savitha, S. [Institute of Biomedical Engineering, National Taiwan University, Taipei, Taiwan (China); Hsu, Ming-Xiang; Hsu, Chung-King [Institute of Materials Science and Engineering, National Taipei University of Technology, Taipei, Taiwan (China); Lin, Chun-Pin [School of Dentistry and Graduate Institute of Clinical Dentistry, College of Medicine, National Taiwan University and National Taiwan University Hospital, Taipei, Taiwan (China); Lin, Feng-Huei, E-mail: double@ntu.edu.tw [Institute of Biomedical Engineering, National Taiwan University, Taipei, Taiwan (China); Division of Medical Engineering Research, National Health Research Institute, Zhunan, Miaoli County, Taiwan (China)

    2012-10-01

    The study describes the sol-gel synthesis of a new dental retrograde filling material partial stabilized cement (PSC)-gypsum by adding different weight percentage of gypsum (25% PSC + 75% gypsum, 50% PSC + 50% gypsum and 75% PSC + 25% gypsum) to the PSC. The crystalline phase and hydration products of PSC-gypsum were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM) analysis. The handling properties such as setting time, viscosity, tensile strength, porosity and pH, were also studied. The XRD and microstructure analysis demonstrated the formation of hydroxyapatite and removal of calcium dihydrate during its immersion in simulated body fluid (SBF) on day 10 for 75% PSC + 25% gypsum. The developed PSC-gypsum not only improved the setting time but also greatly reduced the viscosity, which is very essential for endodontic surgery. The cytotoxic and cell proliferation studies indicated that the synthesized material is highly biocompatible. The increased alkaline pH of the PSC-gypsum also had a remarkable antibacterial activity. - Highlights: Black-Right-Pointing-Pointer A new dental retrograde filling material PSC-gypsum was developed. Black-Right-Pointing-Pointer PSC-gypsum cement has shown excellent initial and final setting time as 15-35 min. Black-Right-Pointing-Pointer It not only improved the setting time but also retain the viscosity, 2 Pa{center_dot}s. Black-Right-Pointing-Pointer High alkaline pH of the cement had a remarkable antibacterial activity. Black-Right-Pointing-Pointer Cytotoxicity studies revealed that the synthesized material is highly biocompatible.

  5. Kinetic model of ammonia synthesis in the solar nebula

    Science.gov (United States)

    Norris, T. L.

    1980-03-01

    Kinetic model of ammonia formation by iron catalysis in the primordial solar nebula is developed. The maximum time to reach equilibrium concentration is determined for various temperatures between 1000 and 200 K on the basis of reaction rates derived from industrial data on iron catalysts for ammonia. Application of the method for calculating the equilibrium time to an arbitrary nebula cooling model which maximizes the time available for ammonia synthesis results in an upper limit of 3% of the equilibrium value to the proportion of nitrogen in the form of ammonia at the time of planetary accretion, with ammonia abundance decreasing with distance from the sun. It is concluded that kinetic rather than equilibrium considerations control the abundance of ammonia in the solar nebula, and implications of the dominance of nitrogen for the evolution of the atmospheres of the terrestrial and Jovian planets and the composition of comets are indicated.

  6. Modeling of composite synthesis in conditions of controlled thermal explosion

    Science.gov (United States)

    Kukta, Yaroslav; Knyazeva, Anna

    2017-12-01

    The paper proposes the model for the titanium-based composite synthesis from powders of titanium and carbon of non-stoichiometric composition. The model takes into account the mixture heating from chamber walls, the dependence of liquidus and solidus temperatures on the composition of reacting mixture and the formation of possible irreversible phases. The reaction retardation by the reaction product is taken into consideration in kinetic laws. As an example, the results of temperature and conversion level calculation are presented for the system Ti-C with the summary reaction for different temperatures of chamber walls heating. It was revealed that the reaction retardation being the reaction product can be the cause of incomplete conversion in the thermal explosion conditions. Non-stoichiometric composition leads to the conditions of degenerated mode when some additional heating is necessary to complete the reaction.

  7. Synthesis of material microporous using raw materials alternative as a source of silica and alumina; Sintese de material microporoso utilizando materias-primas alternativas como fonte de silica e alumina

    Energy Technology Data Exchange (ETDEWEB)

    Santos, E.A.; Silva, T.L., E-mail: as.edileide@hotmail.com [Universidade Federal do Sul e Sudeste do Para(IGE/FEMAT/UNIFESSPA), Maraba, PA (Brazil). Instituto de Geociencias e Engenharias. Faculdade de Engenharia de Materiais; Neves, R.F.; Hildebrando, E.A. [Universidade Federal do Para (UFPA), PA (Brazil)

    2014-07-01

    Synthetic zeolites have important properties of a technological viewpoint. Thus, this work aims at the use of natural raw materials such as kaolin waste and wood ash in order to produce these microporous materials. The starting materials were characterized by X-ray diffraction (XRD) and spectroscopy, X-ray fluorescence (XRF); the phases formed as synthesis products were identified by XRD and gravimetric and differential thermal analysis (DTA/TG). Hydrothermal synthesis took place by mixing the raw materials in stoichiometrically calculated batches with NaOH (3M) at 90 °C and time of 6, 20, 24 and 48 hours. The results show the formation of phases of type zeolite A and sodalite, demonstrating the raw materials be an efficient and low cost alternative to producing microporous materials. (author)

  8. Modelling of the enzymatic kinetically controlled synthesis of cephalexin

    NARCIS (Netherlands)

    Schroën, C.G.P.H.; Fretz, C.B.; Bruin, de V.H.; Berendsen, W.; Moody, H.M.; Roos, E.C.; Roon, van J.L.; Kroon, P.J.; Strubel, M.; Janssen, A.E.M.; Tramper, J.

    2002-01-01

    In this study the influence of diffusion limitation on enzymatic kinetically controlled cephalexin synthesis from phenylglycine amide and 7-aminodeacetoxycephalosporinic acid (7-ADCA) was investigated systematically. It was found that if diffusion limitation occurred, both the synthesis/hydrolysis

  9. Device and materials modeling in PEM fuel cells

    CERN Document Server

    Promislow, Keith

    2009-01-01

    Device and Materials Modeling in PEM Fuel Cells is a specialized text that compiles the mathematical details and results of both device and materials modeling in a single volume. Proton exchange membrane (PEM) fuel cells will likely have an impact on our way of life similar to the integrated circuit. The potential applications range from the micron scale to large scale industrial production. Successful integration of PEM fuel cells into the mass market will require new materials and a deeper understanding of the balance required to maintain various operational states. This book contains articles from scientists who contribute to fuel cell models from both the materials and device perspectives. Topics such as catalyst layer performance and operation, reactor dynamics, macroscopic transport, and analytical models are covered under device modeling. Materials modeling include subjects relating to the membrane and the catalyst such as proton conduction, atomistic structural modeling, quantum molecular dynamics, an...

  10. Non-local modeling of materials

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof

    2002-01-01

    Numerical studies of non-local plasticity effects on different materials and problems are carried out. Two different theories are used. One is of lower order in that it retains the structure of a conventional plasticity boundary value problem, while the other is of higher order and employs higher...... order stresses as work conjugates to higher order strains and uses higher order boundary conditions. The influence of internal material length parameters is studied, and the effects of higher order boundary conditions are analyzed. The focus of the thesis is on metal-matrix composites, and non...

  11. Synthesis by plasma of polymer-metal materials; Sintesis por plasma de materiales polimero-metal

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez R, G

    2004-07-01

    The objective of this work is the design of an experimental set-up to synthesize polymer- metal composites by plasma with versatility in the conditions of synthesis. The main components are a vacuum system capable to reach up to 10{sup -2} mbar and valves and accessories to control the pressure in the system. In order to generate the electrical discharges and the plasma, an electrical circuit with an inductive connection at 13.56 MHz of frequency was constructed. The electric field partially ionizes the reactor atmosphere where the polymer-metal composites were synthesized. The reactor has two metallic electrodes, one in front of the other, where the particles electrically charged collide against the electrodes producing ablation on them. The polymer-metal composites were synthesized by means of an inductive connection at 13.56 MHz. Aniline, 3-chlorine-ethylene and electrodes of silver (Ag) and copper (Cu) were used in a cylindrical reactor coupled with an external coil to generate glow discharges. The average pressures were 6.15 X 10{sup -1} and 5.2 X 10{sup -1} mbar for the synthesis of Poly aniline (P An) and Poly chloroethylene (PE-CI), respectively. The synthesis was performed during 60 and 180 minutes for P An and PE-CI, respectively. The polymers were formed, as films, with an average thickness of 6.42 {mu}m for P An and, in the case of PE-CI, with an approximately growing rate of 14 {eta}m/W. The power in the syntheses was 30, 50, 70 and 90 W for P An and 50, 100, 120, 140 170, and 200 W for PE-CI. The characterization of the polymer-metal composites was done by energy dispersive spectroscopy to study the composition and the relation of the elements involved in the synthesis. The morphology of the films was studied by means of scanning electron microscopy. The infrared analysis (IR) was done to study the chemicals bonds and the structure of these polymers. Another important study in these materials was the behavior of the electrical conductivity ({sigma

  12. AGAR FROM MALAYSIAN RED SEAWEED AS POTENTIAL MATERIAL FOR SYNTHESIS OF BIOPLASTIC FILM

    Directory of Open Access Journals (Sweden)

    SIEW-LING HII

    2016-07-01

    Full Text Available The main aim of this study was to identify the potential use of agar extracted from red seaweed, Gracilaria salicornia, collected from the coastal area of Malaysia as the raw material for synthesis of bioplastic film. Agar was extracted via two extraction methods: (1 alkali extraction method and (2 photo bleaching extraction method. The yields of agar by both of the methods were 9 to 11 %. The alkali extracted agar (AEA and photo bleached agar (PBA were incorporated as the raw materials for the formation of bioplastic films while sago starch and glycerol were added to increase workability. Physicochemical properties of the two bioplastic films were characterised. FTIR analysis confirmed the presence of agar in both plastic films with the presence of 3,6- anhydrogalactose residues and further indicated that the interactions of agar and sago starch were strong in both PBA and AEA films. The results showed that tensile strength and percent elongation of PBA film (3.067 MPa, 3.270 % was higher than AEA film (2.431 MPa, 2.476 %. Thermogravimetric analysis (TGA; % residual weight revealed that AEA film has higher thermal stability (14.80 % than PBA film (10.27 % while rheological results proved that both films exhibited non-Newtonian behaviors. The AEA film was completely decomposed after 30 days in the soil burial test. Results of current study show a wide range of future possibilities and commercial applications of AEA and PBA bioplastic films.

  13. Synthesis and Characterization of Bio-Oil Phenol Formaldehyde Resin Used to Fabricate Phenolic Based Materials

    Directory of Open Access Journals (Sweden)

    Yong Cui

    2017-06-01

    Full Text Available In this study, bio-oil from the fast pyrolysis of renewable biomass was used as the raw material to synthesize bio-oil phenol formaldehyde (BPF resin—a desirable resin for fabricating phenolic-based material. During the synthesis process, paraformaldehyde was used to achieve the requirement of high solid content and low viscosity. The properties of BPF resins were tested. Results indicated that BPF resin with the bio-oil addition of 20% had good performance on oxygen index and bending strength, indicating that adding bio-oil could modify the fire resistance and brittleness of PF resin. The thermal curing behavior and heat resistance of BPF resins were investigated by differential scanning calorimetry (DSC and thermal gravimetric analysis (TGA. Results showed that adding bio-oil had an impact on curing characteristics and thermal degradation process of PF resin, but the influence was insignificant when the addition was relatively low. The chemical structure and surface characteristics of BPF resins were determined by Fourier transform infrared (FTIR spectroscopy and scanning electron microscopy (SEM. The analysis demonstrated that adding bio-oil in the amount of 20% was able to improve the crosslinking degree and form more hydrocarbon chains in PF resin.

  14. Synthesis and Characterization of Bio-Oil Phenol Formaldehyde Resin Used to Fabricate Phenolic Based Materials.

    Science.gov (United States)

    Cui, Yong; Hou, Xiaopeng; Wang, Wenliang; Chang, Jianmin

    2017-06-18

    In this study, bio-oil from the fast pyrolysis of renewable biomass was used as the raw material to synthesize bio-oil phenol formaldehyde (BPF) resin-a desirable resin for fabricating phenolic-based material. During the synthesis process, paraformaldehyde was used to achieve the requirement of high solid content and low viscosity. The properties of BPF resins were tested. Results indicated that BPF resin with the bio-oil addition of 20% had good performance on oxygen index and bending strength, indicating that adding bio-oil could modify the fire resistance and brittleness of PF resin. The thermal curing behavior and heat resistance of BPF resins were investigated by differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA). Results showed that adding bio-oil had an impact on curing characteristics and thermal degradation process of PF resin, but the influence was insignificant when the addition was relatively low. The chemical structure and surface characteristics of BPF resins were determined by Fourier transform infrared (FTIR) spectroscopy and scanning electron microscopy (SEM). The analysis demonstrated that adding bio-oil in the amount of 20% was able to improve the crosslinking degree and form more hydrocarbon chains in PF resin.

  15. 3D graphene-based hybrid materials: synthesis and applications in energy storage and conversion.

    Science.gov (United States)

    Shi, Qiurong; Cha, Younghwan; Song, Yang; Lee, Jung-In; Zhu, Chengzhou; Li, Xiaoyu; Song, Min-Kyu; Du, Dan; Lin, Yuehe

    2016-08-25

    Porous 3D graphene-based hybrid materials (3D GBHMs) are currently attractive nanomaterials employed in the field of energy. Heteroatom-doped 3D graphene and metal, metal oxide, and polymer-decorated 3D graphene with modified electronic and atomic structures provide promising performance as electrode materials in energy storage and conversion. Numerous synthesis methods such as self-assembly, templating, electrochemical deposition, and supercritical CO2, pave the way to mass production of 3D GBHMs in the commercialization of energy devices. This review summarizes recent advances in the fabrication of 3D GBHMs with well-defined architectures such as finely controlled pore sizes, heteroatom doping types and levels. Moreover, current progress toward applications in fuel cells, supercapacitors and batteries employing 3D GBHMs is also highlighted, along with the detailed mechanisms of the enhanced electrochemical performance. Furthermore, current critical issues, challenges and future prospects with respect to applications of 3D GBHMs in practical devices are discussed at the end of this review.

  16. Synthesis of Improved Catalytic Materials for High-Temperature Water-gas Shift Reaction

    Directory of Open Access Journals (Sweden)

    Zara P. Cherkezova-Zheleva

    2015-12-01

    Full Text Available In this investigation, we report the preparation and characterization of Co-, Cu- and Mn-substituted iron oxide catalytic materials supported on activated carbon. Co-precipitation method and low temperature treatment were used for their synthesis. The influence of chemical composition, stoichiometry, particle size and dispersity on their catalytic activity was studied. Samples were characterized in all stages of their co-precipitation, heating and spend samples after catalytic tests. The obtained results from room and low temperature Mössbauer spectroscopy were combined with analysis of powder X-ray diffraction patterns (XRD. They revealed the preparation of nano-sized iron oxide materials supported on activated carbon. Relaxation phenomena were registered also for the supported phases. The catalytic performance in the water-gas shift reaction was studied. The activity order was as follows: Cu0.5Fe2.5O4 > Co0.5Fe2.5O4 > Mn0.5Fe2.5O4. Catalytic tests demonstrated very promising results and potential application of studied samples due to their cost-effective composition.

  17. Metabolic modeling of synthesis gas fermentation in bubble column reactors.

    Science.gov (United States)

    Chen, Jin; Gomez, Jose A; Höffner, Kai; Barton, Paul I; Henson, Michael A

    2015-01-01

    A promising route to renewable liquid fuels and chemicals is the fermentation of synthesis gas (syngas) streams to synthesize desired products such as ethanol and 2,3-butanediol. While commercial development of syngas fermentation technology is underway, an unmet need is the development of integrated metabolic and transport models for industrially relevant syngas bubble column reactors. We developed and evaluated a spatiotemporal metabolic model for bubble column reactors with the syngas fermenting bacterium Clostridium ljungdahlii as the microbial catalyst. Our modeling approach involved combining a genome-scale reconstruction of C. ljungdahlii metabolism with multiphase transport equations that govern convective and dispersive processes within the spatially varying column. The reactor model was spatially discretized to yield a large set of ordinary differential equations (ODEs) in time with embedded linear programs (LPs) and solved using the MATLAB based code DFBAlab. Simulations were performed to analyze the effects of important process and cellular parameters on key measures of reactor performance including ethanol titer, ethanol-to-acetate ratio, and CO and H2 conversions. Our computational study demonstrated that mathematical modeling provides a complementary tool to experimentation for understanding, predicting, and optimizing syngas fermentation reactors. These model predictions could guide future cellular and process engineering efforts aimed at alleviating bottlenecks to biochemical production in syngas bubble column reactors.

  18. RADIOACTIVE MATERIALS IN BIOSOLIDS: DOSE MODELING

    Science.gov (United States)

    The Interagency Steering Committee on Radiation Standards (ISCORS) has recently completed a study of the occurrence within the United States of radioactive materials in sewage sludge and sewage incineration ash. One component of that effort was an examination of the possible tra...

  19. from First-principles study to Materials Modeling Tanusri Saha ...

    Indian Academy of Sciences (India)

    MOTIVATION. • Novel materials are key to new technologies. • Modeling is playing an ever increasing role in the search for new materials. • The chemistry controls the physical properties (e.g. electrical, magnetic, and optical properties) of materials. At the root of all are the Electrons! . – p.3/25 ...

  20. Electrochemical synthesis and characterisation of hybrid materials polypyrrole/dodecatungstophosphate as protective agents against steel corrosion

    Science.gov (United States)

    Bonastre Cano, Jose Antonio

    hand, this pretreatment should guarantee appropriate conditions in order to obtain a coating with high adhesion on carbon steel. Once studied the better parameters for the synthesis of the hybrid material by cyclic voltammetry, hybrid material is morphological, chemical and electrochemical characterised by the following techniques: Cyclic Voltammetry, Scanning Electron Microscopy, Energy Dispersive X Ray, X Ray Photoelectron Spectroscopy and Electrochemical Impedance Spectroscopy. The hybrid material polypyrrole/PW 12O403-. chemical structure presents Fe oxides and hydroxide within the polypyrrole polycationic matrix. Hybrid material polypyrrol/PW12O403- diminishes the corrosion of carbon steel in NaOH and Porland cement filtering solutions. These cement solutions simulate the pore fluid conditions existing in cured mortar or concrete elements. Fe ion concentration data were determinated in corrosion tests. Voltammetric response of polymeric coatings was evaluated by cyclic voltammetry. Finally, the protection provided by hybrid material polypyrrole/PW 12O403, in oxidised and reduced state, was evaluated on carbon steel electrodes embedded in Portland cement mortars immersed in seawater and submitted to an accelerated carbonation process for 265 days. Polymeric material covered carbon steel electrodes in reduced state suffer a Fe gravimetric loss 15 times lower than the ones of bare electrodes against chlorides attack, due to the effect of physical barrier. Hybrid material covered electrodes in oxidised state after being submitted to a carbonation process suffer a Fe gravimetric loss 2.5 times lower than the ones of bare electrodes, due to galvanic protection provided by hybrid material polypyrrole/PW 12O403- on carbon steel.

  1. On the suppression of superconducting phase formation in YBCO materials by templated synthesis in the presence of a sulfated biopolymer

    International Nuclear Information System (INIS)

    Smith, Elliott; Schnepp, Zoe; Wimbush, Stuart C.; Hall, Simon R.

    2008-01-01

    The use of biopolymers as templates to control superconductor crystallization is a recent phenomenon and is generating a lot of interest both from the superconductor community and in materials chemistry circles. This work represents a critical finding in the use of such biopolymers, in particular the contraindicatory nature of sulfur when attempting to affect a morphologically controlled synthesis. Synthesis of superconducting nanoparticles was attempted using carrageenan as a morphological template. Reactive sulfate groups on the biopolymer prevent this, producing instead significant quantities of barium sulfate nanotapes. By substituting the biopolymer for structurally analogous, non-sulfated agar, we show that superconducting nanoparticles could be successfully synthesized

  2. Modeling and Optimization of Materials and Structures

    OpenAIRE

    Karama, Moussa; Borouchaki, Houman; Cherouat, Abel; El Hami, Abdelkhalak

    2015-01-01

    Preface : The current economic and ecological context requires different industries towards the optimization of structures. One of the most striking examples is the soaring price of oil, which launched the major aircraft manufacturers Airbus and Boeing in a race to relief structures, to reduce their consumption. Therefore, the need of competitive products, both in terms of reliability, performance or operating cost, is pervasive and growing, aviation and elsewhere. Thus, work on the material ...

  3. Compendium of Material Composition Data for Radiation Transport Modeling

    International Nuclear Information System (INIS)

    Williams, Ralph G.; Gesh, Christopher J.; Pagh, Richard T.

    2006-01-01

    Computational modeling of radiation transport problems including homeland security, radiation shielding and protection, and criticality safety all depend upon material definitions. This document has been created to serve two purposes: (1) to provide a quick reference of material compositions for analysts and (2) a standardized reference to reduce the differences between results from two independent analysts. Analysts are always encountering a variety of materials for which elemental definitions are not readily available or densities are not defined. This document provides a location where unique or hard to define materials will be located to reduce duplication in research for modeling purposes. Additionally, having a common set of material definitions helps to standardize modeling across PNNL and provide two separate researchers the ability to compare different modeling results from a common materials basis.

  4. Overhead longwave infrared hyperspectral material identification using radiometric models

    Energy Technology Data Exchange (ETDEWEB)

    Zelinski, M. E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2018-01-09

    Material detection algorithms used in hyperspectral data processing are computationally efficient but can produce relatively high numbers of false positives. Material identification performed as a secondary processing step on detected pixels can help separate true and false positives. This paper presents a material identification processing chain for longwave infrared hyperspectral data of solid materials collected from airborne platforms. The algorithms utilize unwhitened radiance data and an iterative algorithm that determines the temperature, humidity, and ozone of the atmospheric profile. Pixel unmixing is done using constrained linear regression and Bayesian Information Criteria for model selection. The resulting product includes an optimal atmospheric profile and full radiance material model that includes material temperature, abundance values, and several fit statistics. A logistic regression method utilizing all model parameters to improve identification is also presented. This paper details the processing chain and provides justification for the algorithms used. Several examples are provided using modeled data at different noise levels.

  5. Testing of Materials for Rapid Prototyping Fused Deposition Modelling Technology

    OpenAIRE

    L. Novakova-Marcincinova; J. Novak-Marcincin

    2012-01-01

    Paper presents knowledge about types of test in area of materials properties of selected methods of rapid prototyping technologies. In today used rapid prototyping technologies for production of models and final parts are used materials in initial state as solid, liquid or powder material structure. In solid state are used various forms such as pellets, wire or laminates. Basic range materials include paper, nylon, wax, resins, metals and ceramics. In Fused Deposition Mod...

  6. Steady Modeling for an Ammonia Synthesis Reactor Based on a Novel CDEAS-LS-SVM Model

    Directory of Open Access Journals (Sweden)

    Zhuoqian Liu

    2014-01-01

    Full Text Available A steady-state mathematical model is built in order to represent plant behavior under stationary operating conditions. A novel modeling using LS-SVR based on Cultural Differential Evolution with Ant Search is proposed. LS-SVM is adopted to establish the model of the net value of ammonia. The modeling method has fast convergence speed and good global adaptability for identification of the ammonia synthesis process. The LS-SVR model was established using the above-mentioned method. Simulation results verify the validity of the method.

  7. Surrogate Modeling for Geometry Optimization in Material Design

    DEFF Research Database (Denmark)

    Rojas Larrazabal, Marielba de la Caridad; Abraham, Yonas B.; Holzwarth, Natalie A.W.

    2007-01-01

    We propose a new approach based on surrogate modeling for geometry optimization in material design. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)......We propose a new approach based on surrogate modeling for geometry optimization in material design. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)...

  8. Synthesis, fabrication, and spectroscopy of nano-scale photonic noble metal materials

    Science.gov (United States)

    Egusa, Shunji

    Nanometer is an interesting scale for physicists, chemists, and materials scientists, in a sense that it lies between the macroscopic and the atomic scales. In this regime, materials exhibit distinct physical and chemical properties that are clearly different from those of atoms or macroscopic bulk. This thesis is concerned about both physics and chemistry of noble metal nano-structures. Novel chemical syntheses and physical fabrications of various noble metal nano-structures, and the development of spectroscopic techniques for nano-structures are presented. Scanning microscopy/spectroscopy techniques inherently perturbs the true optical responses of the nano-structures. However, by using scanning tunneling microscope (STM) tip as the nanometer-confined excitation source of surface plasmons in the samples, and subsequently collecting the signals in the Fourier space, it is shown that the tip-perturbed part of the signals can be deconvoluted. As a result, the collected signal in this approach is the pure response of the sample. Coherent light is employed to study the optical response of nano-structures, in order to avoid complication from tip-perturbation as discussed above. White-light super-continuum excites the nano-structure, the monolayer of Au nanoparticles self-assembled on silicon nitride membrane substrates. The coherent excitation reveals asymmetric surface plasmon resonance in the nano-structures. One of the most important issues in nano-scale science is to gain control over the shape, size, and assembly of nanoparticles. A novel method is developed to chemically synthesize ligand-passivated atomic noble metal clusters in solution phase. The method, named thermal decomposition method, enables facile yet robust synthesis of fluorescent atomic clusters. Thus synthesized atomic clusters are very stable, and show behaviors of quantum dots. A novel and versatile approach for creation of nanoparticle arrays is developed. This method is different from the

  9. Synthesis, microstructure and properties of BiFeO3-based multiferroic materials: A review

    Directory of Open Access Journals (Sweden)

    Bernardo, M. S.

    2014-02-01

    Full Text Available BiFeO3-based materials are currently one of the most studied multiferroics due to their possible applications at room temperature. However, among the large number of published papers there is much controversy. For example, possibility of synthesizing a pure BiFeO3 phase is still source of discussion in literature. Not even the nature of the binary Bi2O3-Fe2O3 diagram has been clarified yet. The difficulty in controlling the formation of parasite phases reaches the consolidation step. Accordingly, the sintering conditions must be carefully determined both to get dense materials and to avoid bismuth ferrite decomposition. However, the precise conditions to attain dense bismuth ferrite materials are frequently contradictory among different works. As a consequence, the reported properties habitually result opposed and highly irreproducible hampering the preparation of BiFeO3 materials suitable for practical applications. In this context, the purpose of the present review is to summarize the main researches regarding BiFeO3 synthesis, microstructure and properties in order to provide an easier understanding of these materials.Los materiales basados en BiFeO3 son en la actualidad uno de los multiferroicos más estudiados debido a sus posibles aplicaciones a temperatura ambiente. Sin embargo, entre la multitud de trabajos publicados referentes a estos materiales existe mucha controversia. Por ejemplo, la posibilidad de sintetizar una fase BiFeO3 pura es aún objeto de discusión en la bibliografía y la naturaleza de los diagramas de fases del sistema Bi2O3-Fe2O3 aún no está clara. La dificultad para controlar las fases parásitas se extiende al proceso de consolidación por lo que las condiciones de sinterización deben ser cuidadosamente controladas para obtener materiales densos y al mismo tiempo evitar la descomposición de la ferrita. No obstante, las condiciones precisas para obtener materiales densos de BiFeO3 son frecuentemente

  10. Molecular modeling and multiscaling issues for electronic material applications

    CERN Document Server

    Iwamoto, Nancy; Yuen, Matthew; Fan, Haibo

    Volume 1 : Molecular Modeling and Multiscaling Issues for Electronic Material Applications provides a snapshot on the progression of molecular modeling in the electronics industry and how molecular modeling is currently being used to understand material performance to solve relevant issues in this field. This book is intended to introduce the reader to the evolving role of molecular modeling, especially seen through the eyes of the IEEE community involved in material modeling for electronic applications.  Part I presents  the role that quantum mechanics can play in performance prediction, such as properties dependent upon electronic structure, but also shows examples how molecular models may be used in performance diagnostics, especially when chemistry is part of the performance issue.  Part II gives examples of large-scale atomistic methods in material failure and shows several examples of transitioning between grain boundary simulations (on the atomistic level)and large-scale models including an example ...

  11. Are paleoclimate model ensembles consistent with the MARGO data synthesis?

    Directory of Open Access Journals (Sweden)

    J. C. Hargreaves

    2011-08-01

    Full Text Available We investigate the consistency of various ensembles of climate model simulations with the Multiproxy Approach for the Reconstruction of the Glacial Ocean Surface (MARGO sea surface temperature data synthesis. We discover that while two multi-model ensembles, created through the Paleoclimate Model Intercomparison Projects (PMIP and PMIP2, pass our simple tests of reliability, an ensemble based on parameter variation in a single model does not perform so well. We show that accounting for observational uncertainty in the MARGO database is of prime importance for correctly evaluating the ensembles. Perhaps surprisingly, the inclusion of a coupled dynamical ocean (compared to the use of a slab ocean does not appear to cause a wider spread in the sea surface temperature anomalies, but rather causes systematic changes with more heat transported north in the Atlantic. There is weak evidence that the sea surface temperature data may be more consistent with meridional overturning in the North Atlantic being similar for the LGM and the present day. However, the small size of the PMIP2 ensemble prevents any statistically significant results from being obtained.

  12. The Evolution of DNA-Templated Synthesis as a Tool for Materials Discovery.

    Science.gov (United States)

    O'Reilly, Rachel K; Turberfield, Andrew J; Wilks, Thomas R

    2017-10-17

    system that can translate instructions coded as a sequence of DNA bases into a chemical structure-a process analogous to the action of the ribosome in living organisms but with the potential to create a much more chemically diverse set of products. It is also possible to ensure that each product molecule is tagged with its identifying DNA sequence. Compound libraries synthesized in this way can be exposed to selection against suitable targets, enriching successful molecules. The encoding DNA can then be amplified using the polymerase chain reaction and decoded by DNA sequencing. More importantly, the DNA instruction sequences can be mutated and reused during multiple rounds of amplification, translation, and selection. In other words, DTS could be used as the foundation for a system of synthetic molecular evolution, which could allow us to efficiently search a vast chemical space. This has huge potential to revolutionize materials discovery-imagine being able to evolve molecules for light harvesting, or catalysts for CO 2 fixation. The field of DTS has developed to the point where a wide variety of reactions can be performed on a DNA template. Complex architectures and autonomous "DNA robots" have been implemented for the controlled assembly of BBs, and these mechanisms have in turn enabled the one-pot synthesis of large combinatorial libraries. Indeed, DTS libraries are being exploited by pharmaceutical companies and have already found their way into drug lead discovery programs. This Account explores the processes involved in DTS and highlights the challenges that remain in creating a general system for molecular discovery by evolution.

  13. Elastocaloric cooling device: Materials and modeling

    DEFF Research Database (Denmark)

    Tusek, Jaka; Engelbrecht, Kurt; Pryds, Nini

    2015-01-01

    of a magnetic field). However, the possibility of inducing a thermodynamic transition by means of mechanical stress (martensitic transformation), i.e. the elastocaloric effect in superelastic materials, opens up new routes for solid-state refrigeration. In the recent years a large elastocaloric effect...... was demonstrated in Ni-Ti-based, Cu-based as well as Fe-based shape memory alloys. Although these studies showed a great potential of the elastocaloric effect, there has not yet been much activities on development of elastocaloric cooling devices. Some ideas on elastocaloric cooling device have already been...

  14. An anisotropic tertiary creep damage constitutive model for anisotropic materials

    International Nuclear Information System (INIS)

    Stewart, Calvin M.; Gordon, Ali P.; Ma, Young Wha; Neu, Richard W.

    2011-01-01

    When an anisotropic material is subject to creep conditions and a complex state of stress, an anisotropic creep damage behavior is observed. Previous research has focused on the anisotropic creep damage behavior of isotropic materials but few constitutive models have been developed for anisotropic creeping solids. This paper describes the development of a new anisotropic tertiary creep damage constitutive model for anisotropic materials. An advanced tensorial damage formulation is implemented which includes both material orientation relative to loading and the degree of creep damage anisotropy in the model. A variation of the Norton-power law for secondary creep is implemented which includes the Hill's anisotropic analogy. Experiments are conducted on the directionally-solidified bucket material DS GTD-111. The constitutive model is implemented in a user programmable feature (UPF) in ANSYS FEA software. The ability of the constitutive model to regress to the Kachanov-Rabotnov isotropic tertiary creep damage model is demonstrated through comparison with uniaxial experiments. A parametric study of both material orientation and stress rotation are conducted. Results indicate that creep deformation is modeled accurately; however an improved damage evolution law may be necessary. - Highlights: → The deformation of anisotropic creeping solid is directionally dependent. → Few constitutive models have been developed to deal with anisotropic behavior. → A transversely-isotropic nickel base superalloy, DS GTD-111, is studied. → A vector constitutive model based on the Kachanov-Rabotnov formulation is developed. → The new model accurately models deformation at various orientations.

  15. Biomineralization-inspired synthesis of functional organic/inorganic hybrid materials: organic molecular control of self-organization of hybrids.

    Science.gov (United States)

    Arakaki, Atsushi; Shimizu, Katsuhiko; Oda, Mayumi; Sakamoto, Takeshi; Nishimura, Tatsuya; Kato, Takashi

    2015-01-28

    Organisms produce various organic/inorganic hybrid materials, which are called biominerals. They form through the self-organization of organic molecules and inorganic elements under ambient conditions. Biominerals often have highly organized and hierarchical structures from nanometer to macroscopic length scales, resulting in their remarkable physical and chemical properties that cannot be obtained by simple accumulation of their organic and inorganic constituents. These observations motivate us to create novel functional materials exhibiting properties superior to conventional materials--both synthetic and natural. Herein, we introduce recent progress in understanding biomineralization processes at the molecular level and the development of organic/inorganic hybrid materials by these processes. We specifically outline fundamental molecular studies on silica, iron oxide, and calcium carbonate biomineralization and describe material synthesis based on these mechanisms. These approaches allow us to design a variety of advanced hybrid materials with desired morphologies, sizes, compositions, and structures through environmentally friendly synthetic routes using functions of organic molecules.

  16. Micromechanical models for graded composite materials

    DEFF Research Database (Denmark)

    Reiter, T; Dvorak, G.J.; Tvergaard, Viggo

    1997-01-01

    Elastic response of selected plane-array models of graded composite microstructures is examined under both uniform and linearly varying boundary tractions and displacements, by means of detailed finite element studies of large domains containing up to several thousand inclusions. Models consisting...... of piecewise homogeneous layers with equivalent elastic properties estimated by Mori-Tanaka and self-consistent methods are also analysed under similar boundary conditions. Comparisons of the overall and local fields predicted by the discrete and homogenized models are made using a C/SiC composite system...... with very different Young's moduli of the phases, and relatively steep composition gradients. The conclusions reached from these comparisons suggest that in those parts of the graded microstructure which have a well-defined continuous matrix and discontinuous second phase, the overall properties and local...

  17. Dynamic Model of an Ammonia Synthesis Reactor Based on Open Information

    OpenAIRE

    Jinasena, Asanthi; Lie, Bernt; Glemmestad, Bjørn

    2016-01-01

    Ammonia is a widely used chemical, hence the ammonia manufacturing process has become a standard case study in the scientific community. In the field of mathematical modeling of the dynamics of ammonia synthesis reactors, there is a lack of complete and well documented models. Therefore, the main aim of this work is to develop a complete and well documented mathematical model for observing the dynamic behavior of an industrial ammonia synthesis reactor system. The model is complete enough to ...

  18. An optimization model for transportation of hazardous materials

    International Nuclear Information System (INIS)

    Seyed-Hosseini, M.; Kheirkhah, A. S.

    2005-01-01

    In this paper, the optimal routing problem for transportation of hazardous materials is studied. Routing for the purpose of reducing the risk of transportation of hazardous materials has been studied and formulated by many researcher and several routing models have been presented up to now. These models can be classified into the categories: the models for routing a single movement and the models for routing multiple movements. In this paper, according to the current rules and regulations of road transportations of hazardous materials in Iran, a routing problem is designed. In this problem, the routs for several independent movements are simultaneously determined. To examine the model, the problem the transportations of two different dangerous materials in the road network of Mazandaran province in the north of Iran is formulated and solved by applying Integer programming model

  19. Synthesis of Hydrophobic Mesoporous Material MFS and Its Adsorption Properties of Water Vapor

    Directory of Open Access Journals (Sweden)

    Guotao Zhao

    2014-01-01

    Full Text Available Fluorine-containing hydrophobic mesoporous material (MFS with high surface area is successfully synthesized with hydrothermal synthesis method by using a perfluorinated surfactant SURFLON S-386 template. The adsorption properties of water vapor on the synthesized MFS are also investigated by using gravimetric method. Results show that SEM image of the MFS depicted roundish morphology with the average crystal size of 1-2 μm. The BET surface area and total pore volume of the MFS are 865.4 m2 g−1 and 0.74 cm3 g−1 with a narrow pore size distribution at 4.9 nm. The amount of water vapor on the MFS is about 0.41 mmol g−1 at 303 K, which is only 52.6% and 55.4% of MCM-41 and SBA-15 under the similar conditions, separately. The isosteric adsorption heat of water on the MFS is gradually about 27.0–19.8 kJ mol−1, which decreases as the absorbed water vapor amount increases. The value is much smaller than that on MCM-41 and SBA-15. Therefore, the MFS shows more hydrophobic surface properties than the MCM-41 and SBA-15. It may be a kind of good candidate for adsorption of large molecule and catalyst carrier with high moisture resistance.

  20. Research work of radiation induced graft polymerization for synthesis and modification of polymer materials in CRICI

    Energy Technology Data Exchange (ETDEWEB)

    Hu Fumin; Ma Xueming [Chenguan Research Institute of Chemical Industry, Chengdu (China)

    2000-03-01

    The direct and post radiation induced graft polymerization had been studied in CRICI (Chenguan Research Institute of Chemical Industry). The method consists of irradiation of various polymer substrates in the presence (or absence) of monomers in a liquid, saturated vapour or gaseous and non-saturated vapour. 1. Grafting of functional monomers. --- It is possible to divide the grafting into two main approaches for synthesis of functional polymer materials. The first is grafting of monomers attached required functional group such as unsaturated carboxylic acid (acrylic and methacrylic acid), unsaturated nitrogen containing (alkali) base (vinylpyridine), monomers with hydrophilic unionized and polar groups (acrylamide, N-vinylpyrrolidone glycidylmethacrylate) and so on. The second is grafting of monomers capable of continuing chemical modification after graft polymerization. This approach essentially expands synthetic possibility of RGP for preparing functional polymers. 2. The effect of some salts on aqueous solution graft polymerization. The grafting of AA or AAm onto PE by direct or post radiation method in the presence of Mohr's salt or cupric nitrate was studied in detail. 3. Radiation induced graft polymerization by gaseous phase of monomers. This method consists of irradiation or preirradiation of various polymer substrates in the presence (or absence for preirradiation) of monomer in a gaseous of nonsaturated vapour state. (J.P.N.)

  1. Co-implantation of carbon and nitrogen into silicon dioxide for synthesis of carbon nitride materials

    CERN Document Server

    Huang, M B; Nuesca, G; Moore, R

    2002-01-01

    Materials synthesis of carbon nitride has been attempted with co-implantation of carbon and nitrogen into thermally grown SiO sub 2. Following implantation of C and N ions to doses of 10 sup 1 sup 7 cm sup - sup 2 , thermal annealing of the implanted SiO sub 2 sample was conducted at 1000 degree sign C in an N sub 2 ambient. As evidenced in Fourier transform infrared measurements and X-ray photoelectron spectroscopy, different bonding configurations between C and N, including C-N single bonds, C=N double bonds and C=N triple bonds, were found to develop in the SiO sub 2 film after annealing. Chemical composition profiles obtained with secondary ion mass spectroscopy were correlated with the depth information of the chemical shifts of N 1s core-level electrons, allowing us to examine the formation of C-N bonding for different atomic concentration ratios between N and C. X-ray diffraction and transmission electron microscopy showed no sign of the formation of crystalline C sub 3 N sub 4 precipitates in the SiO ...

  2. New anthracene-based-phtalocyanine semi-conducting materials: Synthesis and optoelectronic properties

    Energy Technology Data Exchange (ETDEWEB)

    Kahouech, M.S. [Laboratoire de Chimie Organique et Analytique, Institut Supérieur de l' Education et de la Formation Continue (Université El Manar), Bardo 2000 (Tunisia); Hriz, K., E-mail: khaledhriz@gmail.com [Laboratoire des Interfaces et Matériaux Avancés (LIMA), Faculté des Sciences de Monastir (Université de Monastir), Bd. de l' Environnement, Monastir 5019 (Tunisia); Touaiti, S.; Bassem, J. [Laboratoire de Chimie Organique et Analytique, Institut Supérieur de l' Education et de la Formation Continue (Université El Manar), Bardo 2000 (Tunisia)

    2016-03-15

    Highlights: • Synthesis of tow phtalocyanines based on the anthracene and tetrazole. • Semi-conducting supramolecular material. • Good PL quantum yield. • The film morphology of the phtalocynine containing tetrazole group enhanced the carrier mobility. - Abstract: A new anthracene-based semi-conducting phtalocyanines AnPc and AnPc-Tr were synthesized in solvent-free conditions. The supramolecular structure of these compounds was confirmed by NMR and FT-IR spectroscopies. Their optical properties were investigated by UV–vis and photoluminescence spectroscopies. The optical gaps were estimated from the absorption-onsets films, and the obtained values were of 1.50 eV and 1.47 eV for AnPc-Tr and AnPc respectively. In solid state, a weaker π–π-interactions of conjugated systems were obtained in the case of AnPc-Tr in comparison with AnPc. This behavior was explained by steric hindrance of triazol groups, which decrease the planarity of macromolecular structure. The HOMO and LUMO levels were estimated using cyclic voltammetry analysis; two phtalocyanine derivatives show a comparable ionization potential. The phtalacyanine containing triazole groups (AnPc-Tr) reveals a higher electron affinity in comparison with AnPc. Single-layer diode devices were fabricated and showed relatively low turn-on voltages.

  3. Epoxy resin synthesis using low molecular weight lignin separated from various lignocellulosic materials.

    Science.gov (United States)

    Asada, Chikako; Basnet, Sunita; Otsuka, Masaya; Sasaki, Chizuru; Nakamura, Yoshitoshi

    2015-03-01

    A low molecular weight lignin from various lignocellulosic materials was used for the synthesis of bio-based epoxy resins. The lignin extracted with methanol from steam-exploded samples (steaming time of 5 min at steam pressure of 3.5 MPa) from different biomasses (i.e., cedar, eucalyptus, and bamboo) were functionalized by the reaction with epichlorohydrin, catalyzed by a water-soluble phase transfer catalyst tetramethylammonium chloride, which was further reacted with 30 wt% aqueous NaOH for ring closure using methyl ethyl ketone as a solvent. The glycidylated products of the lignin with good yields were cured to epoxy polymer networks with bio-based curing agents i.e., lignin itself and a commercial curing agent TD2131. Relatively good thermal properties of the bio-based epoxy network was obtained and thermal decomposition temperature at 5% weight loss (Td5) of cedar-derived epoxy resin was higher than that derived from eucalyptus and bamboo. The bio-based resin satisfies the stability requirement of epoxy resin applicable for electric circuit boards. The methanol-insoluble residues were enzymatically hydrolyzed to produce glucose. This study indicated that the biomass-derived methanol-soluble lignin may be a promising candidate to be used as a substitute for petroleum-based epoxy resin derived from bisphenol A, while insoluble residues may be processed to give a bioethanol precursor i.e., glucose. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Materials Research Society Symposium Proceedings Volume 635. Anisotropic Nanoparticles - Synthesis, Characterization and Applications

    National Research Council Canada - National Science Library

    Lyon, L

    2000-01-01

    This volume contains a series of papers originally presented at Symposium C, "Anisotropic Nanoparticles Synthesis, Characterization and Applications," at the 2000 MRS Fall Meeting in Boston, Massachusetts...

  5. Filamentary model in resistive switching materials

    Science.gov (United States)

    Jasmin, Alladin C.

    2017-12-01

    The need for next generation computer devices is increasing as the demand for efficient data processing increases. The amount of data generated every second also increases which requires large data storage devices. Oxide-based memory devices are being studied to explore new research frontiers thanks to modern advances in nanofabrication. Various oxide materials are studied as active layers for non-volatile memory. This technology has potential application in resistive random-access-memory (ReRAM) and can be easily integrated in CMOS technologies. The long term perspective of this research field is to develop devices which mimic how the brain processes information. To realize such application, a thorough understanding of the charge transport and switching mechanism is important. A new perspective in the multistate resistive switching based on current-induced filament dynamics will be discussed. A simple equivalent circuit of the device gives quantitative information about the nature of the conducting filament at different resistance states.

  6. Stochastic Modeling of Radioactive Material Releases

    International Nuclear Information System (INIS)

    Andrus, Jason; Pope, Chad

    2015-01-01

    Nonreactor nuclear facilities operated under the approval authority of the U.S. Department of Energy use unmitigated hazard evaluations to determine if potential radiological doses associated with design basis events challenge or exceed dose evaluation guidelines. Unmitigated design basis events that sufficiently challenge dose evaluation guidelines or exceed the guidelines for members of the public or workers, merit selection of safety structures, systems, or components or other controls to prevent or mitigate the hazard. Idaho State University, in collaboration with Idaho National Laboratory, has developed a portable and simple to use software application called SODA (Stochastic Objective Decision-Aide) that stochastically calculates the radiation dose associated with hypothetical radiological material release scenarios. Rather than producing a point estimate of the dose, SODA produces a dose distribution result to allow a deeper understanding of the dose potential. SODA allows users to select the distribution type and parameter values for all of the input variables used to perform the dose calculation. SODA then randomly samples each distribution input variable and calculates the overall resulting dose distribution. In cases where an input variable distribution is unknown, a traditional single point value can be used. SODA was developed using the MATLAB coding framework. The software application has a graphical user input. SODA can be installed on both Windows and Mac computers and does not require MATLAB to function. SODA provides improved risk understanding leading to better informed decision making associated with establishing nuclear facility material-at-risk limits and safety structure, system, or component selection. It is important to note that SODA does not replace or compete with codes such as MACCS or RSAC, rather it is viewed as an easy to use supplemental tool to help improve risk understanding and support better informed decisions. The work was

  7. Stochastic Modeling of Radioactive Material Releases

    Energy Technology Data Exchange (ETDEWEB)

    Andrus, Jason [Idaho National Lab. (INL), Idaho Falls, ID (United States); Pope, Chad [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-09-01

    Nonreactor nuclear facilities operated under the approval authority of the U.S. Department of Energy use unmitigated hazard evaluations to determine if potential radiological doses associated with design basis events challenge or exceed dose evaluation guidelines. Unmitigated design basis events that sufficiently challenge dose evaluation guidelines or exceed the guidelines for members of the public or workers, merit selection of safety structures, systems, or components or other controls to prevent or mitigate the hazard. Idaho State University, in collaboration with Idaho National Laboratory, has developed a portable and simple to use software application called SODA (Stochastic Objective Decision-Aide) that stochastically calculates the radiation dose associated with hypothetical radiological material release scenarios. Rather than producing a point estimate of the dose, SODA produces a dose distribution result to allow a deeper understanding of the dose potential. SODA allows users to select the distribution type and parameter values for all of the input variables used to perform the dose calculation. SODA then randomly samples each distribution input variable and calculates the overall resulting dose distribution. In cases where an input variable distribution is unknown, a traditional single point value can be used. SODA was developed using the MATLAB coding framework. The software application has a graphical user input. SODA can be installed on both Windows and Mac computers and does not require MATLAB to function. SODA provides improved risk understanding leading to better informed decision making associated with establishing nuclear facility material-at-risk limits and safety structure, system, or component selection. It is important to note that SODA does not replace or compete with codes such as MACCS or RSAC, rather it is viewed as an easy to use supplemental tool to help improve risk understanding and support better informed decisions. The work was

  8. Policaprolactone/polyvinylpyrrolidone/siloxane hybrid materials: Synthesis and in vitro delivery of diclofenac and biocompatibility with periodontal ligament fibroblasts

    International Nuclear Information System (INIS)

    Peña, José A.; Gutiérrez, Sandra J.; Villamil, Jean C.; Agudelo, Natalia A.; Pérez, León D.

    2016-01-01

    In this paper, we report the synthesis of polycaprolactone (PCL) based hybrid materials containing hydrophilic domains composed of N-vinylpyrrolidone (VP), and γ-methacryloxypropyltrimethoxysilane (MPS). The hybrid materials were obtained by RAFT copolymerization of N-vinylpyrrolidone and MPS using a pre-formed dixanthate-end-functionalized PCL as macro-chain transfer agent, followed by a post-reaction crosslinking step. The composition of the samples was determined by elemental and thermogravimetric analyses. Differential scanning calorimetry and X-ray diffraction indicated that the crystallinity of PCL decreases in the presence of the hydrophilic domains. Scanning electron microscopy images revealed that the samples present an interconnected porous structure on the swelling. Compared to PCL, the hybrid materials presented low water contact angle values and higher elastic modulus. These materials showed controlled release of diclofenac, and biocompatibility with human periodontal ligament fibroblasts. - Highlights: • Synthesis of Policaprolactone/polyvinylpyrrolidone/siloxane hybrid materials • Moderated hydrophilic materials with high swelling resistance • Organic–inorganic hybrid materials were biocompatible.

  9. Materials and vapour-phase techniques for the synthesis of ceramic coatings

    Directory of Open Access Journals (Sweden)

    Albella, J. M.

    2007-08-01

    Full Text Available A survey on recent advances in the synthesis of hard ceramic coatings is given, including materials processes and techniques. Emphasis is made on the parameters which control the coating properties (crystalline structure, morphology, etc, namely arrival energy of the atoms to the growing surface and substrate temperature. Some relevant coating materials are discussed in relation to their applications either as hard protective coatings or with decorative purposes, namely: the family of metal nitrides, carbides, and oxides, in different layer structures (monolithic, multilayers and nanocomposites and ternary compounds of the BCN system.

    Se hace un descripción de los avances recientes en la síntesis de recubrimientos duros de tipo cerámico, depositados mediante técnicas de deposición en fase vapor. Se dedica especial atención a los parámetros del proceso de deposición que controlan las propiedades finales de las capas (estructura cristalina, morfología, etc, tales como la energía de llegada de los átomos a las superficie en crecimiento, y la temperatura. Finalmente, se hace una revisión de los materiales más relevantes en lo que se refiere a sus aplicaciones como recubrimientos duros y protectores, o como recubrimientos decorativos, entre ellos, la familia de los nitruros, carburos y óxidos metálicos, depositados en diversos tipos de estructuras (monolíticas, multicapas y nanocomposites, y los compuestos ternarios del sistema BCN.

  10. Flame synthesis of carbon nanotubes and related carbon nano-materials

    Science.gov (United States)

    Merchan-Merchan, Wilson Eduardo

    The work of this thesis is the experimental investigation of various types of carbon nanostructures formed in the oxy-fuel flame media. Soot volume fraction (particle density), soot morphology (primary particle diameter, degree of agglomeration, and the internal and external particle structure), CNTs (synthesis optimization and morphology), and fullerenes are being investigated in this work. These materials are characterized by means of light scattering and optical analysis, transmission electron microscopy (TEM), and scanning electron microscopy (SEM). Soot particles were investigated using the laser extinction method and by thermophoretic sampling technique. It was found that as the oxygen content increased, the soot volume fraction also tended to increase. High-resolution TEM imaging on the trapped material reveals the presence of highly crystalline soot structures. A catalytic support was positioned at the fuel side of the counter-flow flame formed by fuel (96%CH4+4%C2H2) and oxidizer (50%O2+50%N2) streams. TEM and SEM studies reveal the presence of a variety of highly organized carbonaceous structures with the configurations showing strong dependence on the flame location. It is observed that when a catalytic probe is inserted in the flame under an electric field control, a coating layer of vertically aligned carbon nanotubes covering the catalytic surface of the probe is formed. These results show that electric fields can be applied as a means to control CNT structure and growth rates. Overall, the electric field control method demonstrates stabilization of the structure in a wide flame region while growth rate remains dependent on flame location. The presence of fullerenes produced in the flame was detected using high resolution TEM and high pressure liquid chromatography. We found that large amounts of fullerenes (C60+ C70) can be generated using the counter-flow flame at normal atmospheric conditions.

  11. Modelling of water permeability in cementitious materials

    DEFF Research Database (Denmark)

    Guang, Ye; Lura, Pietro; van Breugel, K.

    2006-01-01

    This paper presents a network model to predict the permeability of cement paste from a numerical simulation of its microstructure. Based on a linked list pore network structure, the effective hydraulic conductivity is estimated and the fluid flow is calculated according to the Hagen-Poiseuille la...

  12. Homeostatic mechanisms in dopamine synthesis and release: a mathematical model

    Directory of Open Access Journals (Sweden)

    Nijhout H Frederik

    2009-09-01

    Full Text Available Abstract Background Dopamine is a catecholamine that is used as a neurotransmitter both in the periphery and in the central nervous system. Dysfunction in various dopaminergic systems is known to be associated with various disorders, including schizophrenia, Parkinson's disease, and Tourette's syndrome. Furthermore, microdialysis studies have shown that addictive drugs increase extracellular dopamine and brain imaging has shown a correlation between euphoria and psycho-stimulant-induced increases in extracellular dopamine 1. These consequences of dopamine dysfunction indicate the importance of maintaining dopamine functionality through homeostatic mechanisms that have been attributed to the delicate balance between synthesis, storage, release, metabolism, and reuptake. Methods We construct a mathematical model of dopamine synthesis, release, and reuptake and use it to study homeostasis in single dopaminergic neuron terminals. We investigate the substrate inhibition of tyrosine hydroxylase by tyrosine, the consequences of the rapid uptake of extracellular dopamine by the dopamine transporters, and the effects of the autoreceoptors on dopaminergic function. The main focus is to understand the regulation and control of synthesis and release and to explicate and interpret experimental findings. Results We show that the substrate inhibition of tyrosine hydroxylase by tyrosine stabilizes cytosolic and vesicular dopamine against changes in tyrosine availability due to meals. We find that the autoreceptors dampen the fluctuations in extracellular dopamine caused by changes in tyrosine hydroxylase expression and changes in the rate of firing. We show that short bursts of action potentials create significant dopamine signals against the background of tonic firing. We explain the observed time courses of extracellular dopamine responses to stimulation in wild type mice and mice that have genetically altered dopamine transporter densities and the observed

  13. User-Defined Material Model for Progressive Failure Analysis

    Science.gov (United States)

    Knight, Norman F. Jr.; Reeder, James R. (Technical Monitor)

    2006-01-01

    An overview of different types of composite material system architectures and a brief review of progressive failure material modeling methods used for structural analysis including failure initiation and material degradation are presented. Different failure initiation criteria and material degradation models are described that define progressive failure formulations. These progressive failure formulations are implemented in a user-defined material model (or UMAT) for use with the ABAQUS/Standard1 nonlinear finite element analysis tool. The failure initiation criteria include the maximum stress criteria, maximum strain criteria, the Tsai-Wu failure polynomial, and the Hashin criteria. The material degradation model is based on the ply-discounting approach where the local material constitutive coefficients are degraded. Applications and extensions of the progressive failure analysis material model address two-dimensional plate and shell finite elements and three-dimensional solid finite elements. Implementation details and use of the UMAT subroutine are described in the present paper. Parametric studies for composite structures are discussed to illustrate the features of the progressive failure modeling methods that have been implemented.

  14. Ultrasound assisted synthesis of nanocrystalline zinc oxide: Experiments and modelling

    Energy Technology Data Exchange (ETDEWEB)

    Hosni, Mongia [Laboratoire des Sciences des Procédés et des Matériaux, LSPM-CNRS, Université Paris 13, 99 av. J.B. Clément, 93430 Villetaneuse (France); Farhat, Samir, E-mail: farhat@lspm.cnrs.fr [Laboratoire des Sciences des Procédés et des Matériaux, LSPM-CNRS, Université Paris 13, 99 av. J.B. Clément, 93430 Villetaneuse (France); Schoenstein, Frederic; Karmous, Farah; Jouini, Noureddine [Laboratoire des Sciences des Procédés et des Matériaux, LSPM-CNRS, Université Paris 13, 99 av. J.B. Clément, 93430 Villetaneuse (France); Viana, Bruno [LCMCP Chimie-Paristech, UPMC, Collège de France, 11 Rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Mgaidi, Arbi [Laboratoire de chimie minérale industrielle université Tunis el Manar (Tunisia)

    2014-12-05

    Highlights: • ZnO nanospheres and nanowires were grown using ultrasound and thermal activation techniques. • The growth uses forced hydrolysis of zinc acetate in diethylene glycol (DEG). • A thermochemical model was developed based on thermodynamic equilibrium calculations. • We estimate species distribution in the bubble in temperature range from 5000 K to ambient. • We propose a new mechanism for ZnO growth assisted by ultrasound irradiation. - Abstract: A fast and green approach is proposed for the preparation of nanocrystalline zinc oxide (ZnO) via ultrasonic (US) irradiation in polyol medium. The process uses forced hydrolysis of zinc acetate in diethylene glycol (DEG). The protocol is compared to thermal activation under the same chemical environment. The activation method is found to be playing a critical role in the selective synthesis of morphologically distinct nanostructures. As compared to thermally activated conventional polyol process, (US) permits to considerably reduce reaction time as well as size of particles. In addition, the shape of these nanoparticles was changed from long nanowires to small nanospheres, indicating different reaction mechanisms. To explain this difference, a thermochemical model was developed based on thermodynamic equilibrium calculations. The model estimate species distribution in the bubble in temperature range from 5000 K to ambient simulating quenching process during bubble formation and collapse. Our results indicate the presence of high density of zinc atoms that could be responsible of a high density of nucleation as compared to thermal activation.

  15. Modeling methodology for supply chain synthesis and disruption analysis

    Science.gov (United States)

    Wu, Teresa; Blackhurst, Jennifer

    2004-11-01

    The concept of an integrated or synthesized supply chain is a strategy for managing today's globalized and customer driven supply chains in order to better meet customer demands. Synthesizing individual entities into an integrated supply chain can be a challenging task due to a variety of factors including conflicting objectives, mismatched incentives and constraints of the individual entities. Furthermore, understanding the effects of disruptions occurring at any point in the system is difficult when working toward synthesizing supply chain operations. Therefore, the goal of this research is to present a modeling methodology to manage the synthesis of a supply chain by linking hierarchical levels of the system and to model and analyze disruptions in the integrated supply chain. The contribution of this research is threefold: (1) supply chain systems can be modeled hierarchically (2) the performance of synthesized supply chain system can be evaluated quantitatively (3) reachability analysis is used to evaluate the system performance and verify whether a specific state is reachable, allowing the user to understand the extent of effects of a disruption.

  16. Domestication as a model system for the extended evolutionary synthesis.

    Science.gov (United States)

    Zeder, Melinda A

    2017-10-06

    One of the challenges in evaluating arguments for extending the conceptual framework of evolutionary biology involves the identification of a tractable model system that allows for an assessment of the core assumptions of the extended evolutionary synthesis (EES). The domestication of plants and animals by humans provides one such case study opportunity. Here, I consider domestication as a model system for exploring major tenets of the EES. First I discuss the novel insights that niche construction theory (NCT, one of the pillars of the EES) provides into the domestication processes, particularly as they relate to five key areas: coevolution, evolvability, ecological inheritance, cooperation and the pace of evolutionary change. This discussion is next used to frame testable predictions about initial domestication of plants and animals that contrast with those grounded in standard evolutionary theory, demonstrating how these predictions might be tested in multiple regions where initial domestication took place. I then turn to a broader consideration of how domestication provides a model case study consideration of the different ways in which the core assumptions of the EES strengthen and expand our understanding of evolution, including reciprocal causation, developmental processes as drivers of evolutionary change, inclusive inheritance, and the tempo and rate of evolutionary change.

  17. Ultrasound assisted synthesis of nanocrystalline zinc oxide: Experiments and modelling

    International Nuclear Information System (INIS)

    Hosni, Mongia; Farhat, Samir; Schoenstein, Frederic; Karmous, Farah; Jouini, Noureddine; Viana, Bruno; Mgaidi, Arbi

    2014-01-01

    Highlights: • ZnO nanospheres and nanowires were grown using ultrasound and thermal activation techniques. • The growth uses forced hydrolysis of zinc acetate in diethylene glycol (DEG). • A thermochemical model was developed based on thermodynamic equilibrium calculations. • We estimate species distribution in the bubble in temperature range from 5000 K to ambient. • We propose a new mechanism for ZnO growth assisted by ultrasound irradiation. - Abstract: A fast and green approach is proposed for the preparation of nanocrystalline zinc oxide (ZnO) via ultrasonic (US) irradiation in polyol medium. The process uses forced hydrolysis of zinc acetate in diethylene glycol (DEG). The protocol is compared to thermal activation under the same chemical environment. The activation method is found to be playing a critical role in the selective synthesis of morphologically distinct nanostructures. As compared to thermally activated conventional polyol process, (US) permits to considerably reduce reaction time as well as size of particles. In addition, the shape of these nanoparticles was changed from long nanowires to small nanospheres, indicating different reaction mechanisms. To explain this difference, a thermochemical model was developed based on thermodynamic equilibrium calculations. The model estimate species distribution in the bubble in temperature range from 5000 K to ambient simulating quenching process during bubble formation and collapse. Our results indicate the presence of high density of zinc atoms that could be responsible of a high density of nucleation as compared to thermal activation

  18. Uncertainty modelling and code calibration for composite materials

    DEFF Research Database (Denmark)

    Toft, Henrik Stensgaard; Branner, Kim; Mishnaevsky, Leon, Jr

    2013-01-01

    Uncertainties related to the material properties of a composite material can be determined from the micro-, meso- or macro-scales. These three starting points for a stochastic modelling of the material properties are investigated. The uncertainties are divided into physical, model, statistical...... between risk of failure and cost of the structure. Consideration related to calibration of partial safety factors for composite material is described, including the probability of failure, format for the partial safety factor method and weight factors for different load cases. In a numerical example......, it is demonstrated how probabilistic models for the material properties formulated on micro-scale can be calibrated using tests on the meso- and macro-scales. The results are compared to probabilistic models estimated directly from tests on the macro-scale. In another example, partial safety factors for application...

  19. The Active Model: a calibration of material intent

    DEFF Research Database (Denmark)

    Ramsgaard Thomsen, Mette; Tamke, Martin

    2012-01-01

    This chapter examines the idea that material behaviour might persist across the digital/material divide. It looks to the connection between architectural representation and material, and seeks to develop an understanding of persistence as a relational quality that outlives the processes that have...... created it. This definition suggests structural characteristics that are perhaps not immediately obvious when implemented within architectural models. It opens the idea that materiality might persist into the digital environment, as well as the digital lingering within the material. It implies questions...

  20. Laser-shocked energetic materials for laboratory-scale characterization and model validation

    Science.gov (United States)

    Gottfried, Jennifer

    The development of laboratory-scale methods for characterizing the properties of energetic materials, i.e., using only milligram quantities of material, is essential for the development of new types of explosives and propellants for use in military applications. Laser-based excitation methods for initiating or exciting the energetic material offer several advantages for investigating the response of energetic materials to various stimuli: 1) very small quantities of material can be studied prior to scale-up synthesis, 2) no detonation of bulk energetic material is required, eliminating the need for expensive safety precautions, and 3) extensive diagnostics can be incorporated into the experimental setup to provide as much information as possible per shot. In this presentation, progress in our laboratory developing three laser-based methods for characterizing energetic materials will be discussed. Direct excitation of a sample residue using a focused nanosecond laser pulse enables estimation of the performance of the energetic material based on the measured shock wave velocity with a technique called laser-induced air shock from energetic materials (LASEM); recent LASEM results on novel energetic materials will be presented. Impact ignition of energetic materials has also been investigated using laser-driven flyer plates. High-speed schlieren imaging of the flyer plate launch has demonstrated that late-time emission from the impacted energetic material is caused by the reaction of particles ejected off the sample surface with the flyer plate launch products. Finally, the role of a rapid temperature jump (1014 K/s) in the initiation of the explosive cyclotrimethylenetrinitramine (RDX) has been investigated by indirect ultrafast laser heating. Although the temperature jump was insufficient to decompose the RDX, it did induce a temporary electronic excitation of the heated explosive molecules. These results are being used to validate multiscale models in order to

  1. Laser interaction with biological material mathematical modeling

    CERN Document Server

    Kulikov, Kirill

    2014-01-01

    This book covers the principles of laser interaction with biological cells and tissues of varying degrees of organization. The problems of biomedical diagnostics are considered. Scattering of laser irradiation of blood cells is modeled for biological structures (dermis, epidermis, vascular plexus). An analytic theory is provided which is based on solving the wave equation for the electromagnetic field. It allows the accurate analysis of interference effects arising from the partial superposition of scattered waves. Treated topics of mathematical modeling are: optical characterization of biological tissue with large-scale and small-scale inhomogeneities in the layers, heating blood vessel under laser irradiation incident on the outer surface of the skin and thermo-chemical denaturation of biological structures at the example of human skin.

  2. Modeling the kinetics of essential oil hydrodistillation from plant materials

    Directory of Open Access Journals (Sweden)

    Milojević Svetomir Ž.

    2013-01-01

    Full Text Available The present work deals with modeling the kinetics of essential oils extraction from plant materials by water and steam distillation. The experimental data were obtained by studying the hydrodistillation kinetics of essential oil from juniper berries. The literature data on the kinetics of essential oils hydrodistillation from different plant materials were also included into the modeling. A physical model based on simultaneous washing and diffusion of essential oil from plant materials were developed to describe the kinetics of essential oils hydrodistillation, and two other simpler models were derived from this physical model assuming either instantaneous washing followed by diffusion or diffusion with no washing (i.e. the first-order kinetics. The main goal was to compare these models and suggest the optimum ones for water and steam distillation and for different plant materials. All three models described well the experimental kinetic data on water distillation irrespective of the type of distillation equipment and its scale, the type of plant materials and the operational conditions. The most applicable one is the model involving simultaneous washing and diffusion of the essential oil. However, this model was generally inapplicable for steam distillation of essential oils, except for juniper berries. For this hydrodistillation technique, the pseudo first-order model was shown to be the best one. In a few cases, a variation of the essential oil yield with time was observed to be sigmoidal and was modeled by the Boltzmann sigmoid function.

  3. Perovskite sensing materials for syngas composition monitoring and biomass gasifier numerical model validation: A preliminary approach

    Science.gov (United States)

    Pallozzi, V.; Di Carlo, A.; Zaza, F.; Villarini, M.; Carlini, M.; Bocci, E.

    2016-06-01

    Biomass gasification represents a suitable choice for global environmental impact reduction, but more efforts on the process efficiency need to be conducted in order to enhance the use of this technology. Studies on inputs and outputs of the process, as well as measurements and controls of syngas composition and correlated organic and inorganic impurities, are crucial points for the optimization of the entire process: models of the system and sensing devices are, thus, very attractive for this purpose. In particular, perovskite based chemoresistive sensors could represent a promising technology, since their simplicity in function, relatively low cost and direct high temperature operation. The aim of this work is to develop a steam fluidized bed biomass gasifier model, for the prediction of the process gas composition, and new perovskite compounds, LaFeO3 based, as sensing material of chemoresistive sensors for syngas composition and impurities measurements. Chemometric analysis on the combustion synthesis via citrate-nitrate technique of LaFeO3 was also performed, in order to evaluate the relationship between synthesis conditions and perovskite materials and, thus, sensor properties. Performance of different sensors will be tested, in next works, with the support of the developed gasifier model.

  4. Hydrothermal synthesis of new rare earth silicate fluorides: A novel class of polar materials

    Energy Technology Data Exchange (ETDEWEB)

    McMillen, Colin D., E-mail: cmcmill@clemson.edu [Department of Chemistry and Center for Optical Materials Science and Engineering Technologies (COMSET), Clemson University, 485 H.L. Hunter Laboratories, Clemson, SC 29634 (United States); Emirdag-Eanes, Mehtap, E-mail: mehtapemirdag@iyte.edu.tr [Department of Chemistry, Izmir Institute of Technology, Gulbahce koyu, Urla, Izmir 35430 (Turkey); Stritzinger, Jared T., E-mail: jstritz@clemson.edu [Department of Chemistry and Center for Optical Materials Science and Engineering Technologies (COMSET), Clemson University, 485 H.L. Hunter Laboratories, Clemson, SC 29634 (United States); Kolis, Joseph W., E-mail: kjoseph@clemson.edu [Department of Chemistry and Center for Optical Materials Science and Engineering Technologies (COMSET), Clemson University, 485 H.L. Hunter Laboratories, Clemson, SC 29634 (United States)

    2012-11-15

    Polar crystals provide an interesting avenue for materials research both in the structures they form and the properties they possess. This work describes the hydrothermal synthesis and structural characterization of three novel silicate fluorides. Compound (1), LiY{sub 3}(SiO{sub 4}){sub 2}F{sub 2} crystallizes in space group C2/c, with a=17.651(4) A, b=4.8868(10) A, c=11.625(2) A and {beta}=131.13(3) Degree-Sign . BaY{sub 2}(Si{sub 2}O{sub 7})F{sub 2} (2) crystallizes in space group P-1, with a=5.1576(10) A, b=6.8389(14) A, c=11.786(2) A, {alpha}=93.02(3) Degree-Sign , {beta}=102.05(3) Degree-Sign and {gamma}=111.55(3) Degree-Sign . Finally, the structure of Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5} (3) was determined in the polar orthorhombic space group Pba2, having unit cell parameters a=8.8864(18) A, b=12.764(3) A and c=5.0843(10) A. The structures are compared based on their building blocks and long range polarities. Aligned silicate tetrahedra segregated into a single layer in (3) impart the observed polarity. - Graphical abstract: The polar structure of Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5}. Highlights: Black-Right-Pointing-Pointer Natural yttrium silicate fluoride minerals are briefly reviewed. Black-Right-Pointing-Pointer The synthesis and structures of LiY{sub 3}(SiO{sub 4}){sub 2}F{sub 2}, BaY{sub 2}(Si{sub 2}O{sub 7})F{sub 2} and Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5} are discussed. Black-Right-Pointing-Pointer Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5} crystallizes in the polar space group Pba2. Black-Right-Pointing-Pointer Polarity occurs primarily through aligned silicate tetrahedra in a segregated layer.

  5. Reactive ballistic deposition of nanostructured model materials for electrochemical energy conversion and storage.

    Science.gov (United States)

    Flaherty, David W; Hahn, Nathan T; May, R Alan; Berglund, Sean P; Lin, Yong-Mao; Stevenson, Keith J; Dohnalek, Zdenek; Kay, Bruce D; Mullins, C Buddie

    2012-03-20

    Porous, high surface area materials have critical roles in applications including catalysis, photochemistry, and energy storage. In these fields, researchers have demonstrated that the nanometer-scale structure modifies mechanical, optical, and electrical properties of the material, greatly influencing its behavior and performance. Such complex chemical systems can involve several distinct processes occurring in series or parallel. Understanding the influence of size and structure on the properties of these materials requires techniques for producing clean, simple model systems. In the fields of photoelectrochemistry and lithium storage, for example, researchers need to evaluate the effects of changing the electrode structure of a single material or producing electrodes of many different candidate materials while maintaining a distinctly favorable morphology. In this Account, we introduce our studies of the formation and characterization of high surface area, porous thin films synthesized by a process called reactive ballistic deposition (RBD). RBD is a simple method that provides control of the morphology, porosity, and surface area of thin films by manipulating the angle at which a metal-vapor flux impinges on the substrate during deposition. This approach is largely independent of the identity of the deposited material and relies upon limited surface diffusion during synthesis, which enables the formation of kinetically trapped structures. Here, we review our results for the deposition of films from a number of semiconductive materials that are important for applications such as photoelectrochemical water oxidation and lithium ion storage. The use of RBD has enabled us to systematically control individual aspects of both the structure and composition of thin film electrodes in order to probe the effects of each on the performance of the material. We have evaluated the performance of several materials for potential use in these applications and have identified

  6. Models and Methods for Free Material Optimization

    DEFF Research Database (Denmark)

    Weldeyesus, Alemseged Gebrehiwot

    conditions for physical attainability, in the context that, it has to be symmetric and positive semidefinite. FMO problems have been studied for the last two decades in many articles that led to the development of a wide range of models, methods, and theories. As the design variables in FMO are the local...... programs. The method has successfully obtained solutions to large-scale classical FMO problems of simultaneous analysis and design, nested and dual formulations. The second goal is to extend the method and the FMO problem formulations to general laminated shell structures. The thesis additionally addresses...

  7. Modeling the dynamic crush of impact mitigating materials

    International Nuclear Information System (INIS)

    Logan, R.W.; McMichael, L.D.

    1995-01-01

    Crushable materials are commonly utilized in the design of structural components to absorb energy and mitigate shock during the dynamic impact of a complex structure, such as an automobile chassis or drum-type shipping container. The development and application of several finite-element material models which have been developed at various times at LLNL for DYNA3D will be discussed. Between the models, they are able to account for several of the predominant mechanisms which typically influence the dynamic mechanical behavior of crushable materials. One issue we addressed was that no single existing model would account for the entire gambit of constitutive features which are important for crushable materials. Thus, we describe the implementation and use of an additional material model which attempts to provide a more comprehensive model of the mechanics of crushable material behavior. This model combines features of the pre-existing DYNA models and incorporates some new features as well in an invariant large-strain formulation. In addition to examining the behavior of a unit cell in uniaxial compression, two cases were chosen to evaluate the capabilities and accuracy of the various material models in DYNA. In the first case, a model for foam filled box beams was developed and compared to test data from a 4-point bend test. The model was subsequently used to study its effectiveness in energy absorption in an aluminum extrusion, spaceframe, vehicle chassis. The second case examined the response of the AT-400A shipping container and the performance of the overpack material during accident environments selected from 10CFR71 and IAEA regulations

  8. Modeling the dynamic crush of impact mitigating materials

    Science.gov (United States)

    Logan, R. W.; McMichael, L. D.

    1995-05-01

    Crushable materials are commonly utilized in the design of structural components to absorb energy and mitigate shock during the dynamic impact of a complex structure, such as an automobile chassis or drum-type shipping container. The development and application of several finite-element material models which have been developed at various times at LLNL for DYNA3D are discussed. Between the models, they are able to account for several of the predominant mechanisms which typically influence the dynamic mechanical behavior of crushable materials. One issue we addressed was that no single existing model would account for the entire gambit of constitutive features which are important for crushable materials. Thus, we describe the implementation and use of an additional material model which attempts to provide a more comprehensive model of the mechanics of crushable material behavior. This model combines features of the pre-existing DYNA models and incorporates some new features as well in an invariant large-strain formulation. In addition to examining the behavior of a unit cell in uniaxial compression, two cases were chosen to evaluate the capabilities and accuracy of the various material models in DYNA. In the first case, a model for foam filled box beams was developed and compared to test data from a four-point bend test. The model was subsequently used to study its effectiveness in energy absorption in an aluminum extrusion, spaceframe, vehicle chassis. The second case examined the response of the AT-400A shipping container and the performance of the overpack material during accident environments selected from 10CFR71 and IAEA regulations.

  9. Microwave Plasma Synthesis of Materials—From Physics and Chemistry to Nanoparticles: A Materials Scientist’s Viewpoint

    Directory of Open Access Journals (Sweden)

    Dorothée Vinga Szabó

    2014-08-01

    Full Text Available In this review, microwave plasma gas-phase synthesis of inorganic materials and material groups is discussed from the application-oriented perspective of a materials scientist: why and how microwave plasmas are applied for the synthesis of materials? First, key players in this research field will be identified, and a brief overview on publication history on this topic is given. The fundamental basics, necessary to understand the processes ongoing in particle synthesis—one of the main applications of microwave plasma processes—and the influence of the relevant experimental parameters on the resulting particles and their properties will be addressed. The benefit of using microwave plasma instead of conventional gas phase processes with respect to chemical reactivity and crystallite nucleation will be reviewed. The criteria, how to choose an appropriate precursor to synthesize a specific material with an intended application is discussed. A tabular overview on all type of materials synthesized in microwave plasmas and other plasma methods will be given, including relevant citations. Finally, property examples of three groups of nanomaterials synthesized with microwave plasma methods, bare Fe2O3 nanoparticles, different core/shell ceramic/organic shell nanoparticles, and Sn-based nanocomposites, will be described exemplarily, comprising perspectives of applications.

  10. Material model validation for laser shock peening process simulation

    International Nuclear Information System (INIS)

    Amarchinta, H K; Grandhi, R V; Langer, K; Stargel, D S

    2009-01-01

    Advanced mechanical surface enhancement techniques have been used successfully to increase the fatigue life of metallic components. These techniques impart deep compressive residual stresses into the component to counter potentially damage-inducing tensile stresses generated under service loading. Laser shock peening (LSP) is an advanced mechanical surface enhancement technique used predominantly in the aircraft industry. To reduce costs and make the technique available on a large-scale basis for industrial applications, simulation of the LSP process is required. Accurate simulation of the LSP process is a challenging task, because the process has many parameters such as laser spot size, pressure profile and material model that must be precisely determined. This work focuses on investigating the appropriate material model that could be used in simulation and design. In the LSP process material is subjected to strain rates of 10 6  s −1 , which is very high compared with conventional strain rates. The importance of an accurate material model increases because the material behaves significantly different at such high strain rates. This work investigates the effect of multiple nonlinear material models for representing the elastic–plastic behavior of materials. Elastic perfectly plastic, Johnson–Cook and Zerilli–Armstrong models are used, and the performance of each model is compared with available experimental results

  11. Novel Mesoporous Silica Materials with Hierarchically Ordered Nanochannel: Synthesis with the Assistance of Straight-Chain Alkanes and Application

    Directory of Open Access Journals (Sweden)

    Haidong Zhang

    2016-01-01

    Full Text Available The straight-chain alkane-assisted synthesis of hierarchical mesoporous silica materials (MSM results in variable mesostructures and morphologies due to remarkably different self-assembly routes of template agent from those without the assistance of straight-chain alkanes. The textural properties, particularly pore size, channel structure, morphology, and hierarchical structure of those MSM make them demonstrate peculiar effects in the immobilization of homogeneous catalysts.

  12. Process for the liquefaction of solid carbonaceous materials wherein nitrogen is separated from hydrogen via ammonia synthesis

    Science.gov (United States)

    Stetka, Steven S.; Nazario, Francisco N.

    1982-01-01

    In a process for the liquefaction of solid carbonaceous materials wherein bottoms residues are upgraded with a process wherein air is employed, the improvement wherein nitrogen buildup in the system is avoided by ammonia synthesis. In a preferred embodiment hydrogen from other portions of the liquefaction process will be combined with hydrogen produced as a result of the bottoms upgrading to increase the H.sub.2 :N.sub.2 ratio in the ammonia reactor.

  13. Quality Assurance Model for Digital Adult Education Materials

    Science.gov (United States)

    Dimou, Helen; Kameas, Achilles

    2016-01-01

    Purpose: This paper aims to present a model for the quality assurance of digital educational material that is appropriate for adult education. The proposed model adopts the software quality standard ISO/IEC 9126 and takes into account adult learning theories, Bloom's taxonomy of learning objectives and two instructional design models: Kolb's model…

  14. Micro-Scale Experiments and Models for Composite Materials with Materials Research

    DEFF Research Database (Denmark)

    Zike, Sanita

    resin used in polymer/fibre composites for wind turbine blades combining experimental, numerical, and analytical approaches. Experimentally, in order to mimic the stress state created by a void in a bulk material, test samples with finite root radii were made and subjected to a double cantilever beam......Numerical models are frequently implemented to study micro-mechanical processes in polymer/fibre composites. To ensure that these models are accurate, the length scale dependent properties of the fibre and polymer matrix have to be taken into account. Most often this is not the case, and material...... on polymer and polymer/composite materials....

  15. EPR-based material modelling of soils considering volume changes

    Science.gov (United States)

    Faramarzi, Asaad; Javadi, Akbar A.; Alani, Amir M.

    2012-11-01

    In this paper an approach is presented for developing material models for soils based on evolutionary polynomial regression (EPR), taking into account its volumetric behaviour. EPR is a recently developed hybrid data mining technique that searches for structured mathematical equations (representing the behaviour of a system) using genetic algorithm and the least squares method. Stress-strain data from triaxial test are used to train and develop EPR-based material models for soil. The developed models are compared with some of the well known conventional material models. In particular, the capability of the developed EPR models in predicting volume change behaviour of soils is illustrated. It is also shown that the developed EPR-based material models can be incorporated in finite element (FE) analysis. Two geotechnical examples are presented to verify the developed EPR-based FE model (EPR-FEM). The results of the EPR-FEM are compared with those of a standard FEM where conventional constitutive models are used to describe the material behaviour. The results show that EPR-FEM can be successfully employed to analyse geotechnical engineering problems. The advantages of the proposed EPR models are highlighted.

  16. Scaling of Core Material in Rubble Mound Breakwater Model Tests

    DEFF Research Database (Denmark)

    Burcharth, H. F.; Liu, Z.; Troch, P.

    1999-01-01

    The permeability of the core material influences armour stability, wave run-up and wave overtopping. The main problem related to the scaling of core materials in models is that the hydraulic gradient and the pore velocity are varying in space and time. This makes it impossible to arrive at a fully...

  17. Synthesis and characterization of bismuth telluride based nanostructured thermoelectric composite materials

    Science.gov (United States)

    Keshavarz Khorasgani, Mohsen

    Thermoelectric (TE) materials and devices are attractive in solid-state energy conversion applications such as waste heat recovery, air-conditioning, and refrigeration. Since the 1950's lots of unremitting efforts have been made to enhance the efficiency of energy conversion in TE materials (i. e. improving the figure of merit (ZT)), however, most of commercial bulk TE materials still suffer from low efficiency with ZTs around unity. To enhance the performance of bismuth telluride based TE alloys, we have developed composite TE materials, based on the idea that introducing more engineered interfaces in the bulk TE materials may lead to thermal conductivity reduction due to increased phonon scattering by these interfaces. In this approach it is expected that the electronic transport properties of the material are not effectively affected. Consequently, ZT enhancement can be achieved. In this dissertation we will discuss synthesis and characterization of two types of bismuth telluride based bulk composite TE materials. The first type is engineered to contain the presence of coherent interfaces between phases in the material resulting from different mixtures of totally miscible compounds with similar composition. The second type includes the nanocomposites with embedded foreign nano-particles in which the matrix and the particles are delimited by incoherent interfaces. The synthesis procedure, micro- and nano-structures as well as thermoelectric properties of these composites will be presented. In our study on the composites with coherent interfaces, we produced a series of different composites of p-type bismuth antimony telluride alloys and studied their microstructure and thermoelectric properties. Each composite consists of two phases that were obtained in powder form by mechanical alloying. Mixed powders in various proportions of the two different phases were consolidated by hot extrusion to obtain each bulk composite. The minimum grain size of bulk composites as

  18. Simple Models for Model-based Portfolio Load Balancing Controller Synthesis

    DEFF Research Database (Denmark)

    Edlund, Kristian Skjoldborg; Mølbak, Tommy; Bendtsen, Jan Dimon

    2010-01-01

    This paper presents a collection of models of so-called 'effectuators', i.e., subsystems in a power plant portfolio that represent control actions with associated dynamics and actuation costs. These models are derived in order to facilitate higher-level model-based control synthesis of a portfolio...... of generation units existing in an electrical power supply network, for instance in model-based predictive control or declarative control schemes. We focus on the effectuators found in the Danish power system. In particular, the paper presents models for boiler load, district heating, condensate throttling...... and wind turbine effectuators. Each model is validated against actual measurement data. Considering their simplicity, the models fit the observed data very well and are thus suitable for control purposes....

  19. Synthesis and characterization of mesoporous materials for CO2 capture: influence of nickel oxide

    International Nuclear Information System (INIS)

    Nascimento, Alexsandra Rodrigues do

    2014-01-01

    Several materials are currently under study for the CO 2 capture process, like the metal oxides and mixed metal oxides, zeolites, carbonaceous materials, metal-organic frameworks (MOF's) organosilica and modified silica surfaces. In this work, evaluated the adsorption capacity of CO 2 in mesoporous materials of different structures, such as MCM-48 and SBA-15 without impregnating and impregnated with nickel in the proportions 5 %, 10 % and 20 % (m/m), known as 5Ni-MCM-48, 10Ni-MCM-48, 20Ni-MCM-48 and 5Ni-SBA-15, 10Ni-SBA-15, 20Ni-SBA-15. The materials were characterized by means of X-ray diffraction (XRD), thermal analysis (TG and DTG), Fourier transform infrared spectroscopy (FT-IR), N 2 adsorption and desorption (BET) and scanning electron microscopy (SEM) with EDS. The adsorption process was performed varying the pressure of 100 - 4000 kPa and keeping the temperature constant and equal to 298 K. At a pressure of 100 kPa, higher concentrations of adsorption occurred for the materials 5Ni-MCM-48 (0.795 mmol g -1 ) and SBA-15 (0.914 mmol g -1 ) is not impregnated, and at a pressure of 4000 kPa for MCM-48 materials (14.89 mmol g -1 ) and SBA-15 (9.97 mmol g -1 ) not impregnated. The results showed that the adsorption capacity varies positively with the specific area, however, has a direct dependency on the type and geometry of the porous structure of channels. The data were fitted using the Langmuir and Freundlich models and were evaluated thermodynamic parameters Gibbs free energy and entropy of the adsorption system. (author)

  20. Calibrating the Abaqus Crushable Foam Material Model using UNM Data

    Energy Technology Data Exchange (ETDEWEB)

    Schembri, Philip E. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Lewis, Matthew W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-02-27

    Triaxial test data from the University of New Mexico and uniaxial test data from W-14 is used to calibrate the Abaqus crushable foam material model to represent the syntactic foam comprised of APO-BMI matrix and carbon microballoons used in the W76. The material model is an elasto-plasticity model in which the yield strength depends on pressure. Both the elastic properties and the yield stress are estimated by fitting a line to the elastic region of each test response. The model parameters are fit to the data (in a non-rigorous way) to provide both a conservative and not-conservative material model. The model is verified to perform as intended by comparing the values of pressure and shear stress at yield, as well as the shear and volumetric stress-strain response, to the test data.

  1. Spreadsheet Decision Support Model for Training Exercise Material Requirements Planning

    National Research Council Canada - National Science Library

    Tringali, Arthur

    1997-01-01

    ... associated with military training exercises. The model combines the business practice of Material Requirements Planning and the commercial spreadsheet software capabilities of Lotus 1-2-3 to calculate the requirements for food, consumable...

  2. Stochastic hyperelastic modeling considering dependency of material parameters

    Science.gov (United States)

    Caylak, Ismail; Penner, Eduard; Dridger, Alex; Mahnken, Rolf

    2018-03-01

    This paper investigates the uncertainty of a hyperelastic model by treating random material parameters as stochastic variables. For its stochastic discretization a polynomial chaos expansion (PCE) is used. An important aspect in our work is the consideration of stochastic dependencies in the stochastic modeling of Ogden's material model. To this end, artificial experiments are generated using the auto-regressive moving average process based on real experiments. The parameter identification for all data provides statistics of Ogden's material parameters, which are subsequently used for stochastic modeling. Stochastic dependencies are incorporated into the PCE using a Nataf transformation from dependent distributed random variables to independent standard normal distributed ones. The representative numerical example shows that our proposed method adequately takes into account the stochastic dependencies of Ogden's material parameters.

  3. Spreadsheet Decision Support Model for Training Exercise Material Requirements Planning

    National Research Council Canada - National Science Library

    Tringali, Arthur

    1997-01-01

    This thesis focuses on developing a spreadsheet decision support model that can be used by combat engineer platoon and company commanders in determining the material requirements and estimated costs...

  4. Development of a materials data base for modeling

    International Nuclear Information System (INIS)

    Iwata, S.; Ashino, T.; Ishino, S.

    1988-01-01

    Materials selection for fusion reactors requires a materials data base and a set of methods to estimate material properties in a ''virtual'' fusion reactor. This estimation process, namely, modeling, is analyzed as compromising of design requirements, available data bases and methods of estimation, and a concept of an ideal computer system to support this modeling process is proposed. The limitations of a commercial DBMS (Data Base Management System) to handle sophisticated materials data are described in accordance with our experiences. Secondly, ways to manipulate analytical expressions are discussed as the next step for computer assisted modeling. Finally, an advanced method is presented which is able to manage models and data in the same manner without paying attention to annoying rules compelled by constraints of using computers. (orig.)

  5. Polymeric Materials Reinforced with Multiwall Carbon Nanotubes: A Constitutive Material Model

    Directory of Open Access Journals (Sweden)

    Wendy Ortega

    2013-07-01

    Full Text Available In this paper we have modified an existing material model introduced by Cantournet and co-workers to take into account softening and residual strain effects observed in polymeric materials reinforced with carbon nanotubes when subjected to loading and unloading cycles. In order to assess the accuracy of the modified material model, we have compared theoretical predictions with uniaxial extension experimental data obtained from reinforced polymeric material samples. It is shown that the proposed model follows experimental data well as its maximum errors attained are lower than 2.67%, 3.66%, 7.11% and 6.20% for brominated isobutylene and paramethylstyrene copolymer reinforced with multiwall carbon nanotubes (BIMSM-MWCNT, reinforced natural rubber (NR-MWCNT, polybutadiene-carbon black (PB-CB, and PC/ABS reinforced with single-wall carbon nanotubes (SWCNT, respectively.

  6. A generalized methodology to characterize composite materials for pyrolysis models

    Science.gov (United States)

    McKinnon, Mark B.

    The predictive capabilities of computational fire models have improved in recent years such that models have become an integral part of many research efforts. Models improve the understanding of the fire risk of materials and may decrease the number of expensive experiments required to assess the fire hazard of a specific material or designed space. A critical component of a predictive fire model is the pyrolysis sub-model that provides a mathematical representation of the rate of gaseous fuel production from condensed phase fuels given a heat flux incident to the material surface. The modern, comprehensive pyrolysis sub-models that are common today require the definition of many model parameters to accurately represent the physical description of materials that are ubiquitous in the built environment. Coupled with the increase in the number of parameters required to accurately represent the pyrolysis of materials is the increasing prevalence in the built environment of engineered composite materials that have never been measured or modeled. The motivation behind this project is to develop a systematic, generalized methodology to determine the requisite parameters to generate pyrolysis models with predictive capabilities for layered composite materials that are common in industrial and commercial applications. This methodology has been applied to four common composites in this work that exhibit a range of material structures and component materials. The methodology utilizes a multi-scale experimental approach in which each test is designed to isolate and determine a specific subset of the parameters required to define a material in the model. Data collected in simultaneous thermogravimetry and differential scanning calorimetry experiments were analyzed to determine the reaction kinetics, thermodynamic properties, and energetics of decomposition for each component of the composite. Data collected in microscale combustion calorimetry experiments were analyzed to

  7. Novel techniques for the synthesis of three-way catalytic converter support materials

    Science.gov (United States)

    Anyaba, Prince Nwabueze

    Current automobiles use catalytic converters, consisting of noble metals on an oxide support, to convert noxious engine exhaust pollutants into less harmful species. The development of mesoporous oxide supports with optimal pore geometries could enable these devises to decrease in size and weight and significantly reduce the metal loadings required to achieve optimal performance. Thus, in this work, I investigated a wide range of techniques for the synthesis of mesoporous oxides to determine if they could be adapted to ceria-zirconia-yttria mixed oxide (CZY) systems, which are the industry standard for the optimal oxide support for catalytic converter applications. Additionally, I compared and critically evaluated the catalytic performance of the CZY mixed oxides, which were synthesized from the various templating techniques. The catalytic performance test was broken up into two: catalyst activity test which was determined based on the light-off temperatures at which 50% conversion of the reacting species have been converted; and resistance to surface area loss under accelerated aging at heating rate of 20°C/min form 700 to 1000°C, with the final temperature being held fixed for 4 h. To date, the most cost effective methods for preparing mesoporous materials are via techniques that employ templates or structure directing agents. These templates can be divided into two groups: endo-templates (i.e., soft templates, such as surfactants, dendrimers, and block copolymers) and exo-templates (i.e., hard templates, such as porous carbons and resins). The soft templating techniques generally involve both sol-gel and templating methods, while the hard templates required no sol-gel chemistry to achieve the desired templating effect. The precursors for ceria, zirconia, and yttria used were cerium (III) nitrate hexahydrate, zirconyl nitrate, and yttrium nitrate hexahydrate, respectively. The mesoporous CZY materials that were synthesized had surface area values that were

  8. Physical and Model Uncertainty for Fatigue Design of Composite Material

    DEFF Research Database (Denmark)

    Toft, Henrik Stensgaard; Sørensen, John Dalsgaard

    The main aim of the present report is to establish stochastic models for the uncertainties related to fatigue design of composite materials. The uncertainties considered are the physical uncertainty related to the static and fatigue strength and the model uncertainty related to Miners rule...... for linear damage accumulation. Test data analyzed are taken from the Optimat database [1] which is public available. The composite material tested within the Optimat project is normally used for wind turbine blades....

  9. Facile and controlled synthesis of aligned WO3 nanorods and nanosheets as an efficient photocatalyst material

    Science.gov (United States)

    Ahmed, Bilal; Kumar, Sumeet; Ojha, Animesh K.; Donfack, P.; Materny, A.

    2017-03-01

    In this work, we have performed a facile and controlled synthesis of WO3 nanorods and sheets in different crystal phases (triclinic, orthorhombic and monoclinic) of WO3 using the sol-gel method. The detailed structures of the synthesized materials were examined by X-ray powder diffraction (XRD), transmission electron microscopy (TEM), and Raman spectroscopy measurements. The shapes and crystal phases of the WO3 nanostructures were found to be highly dependent on the calcination temperature. The variation in crystalline phases and shapes is modified the electronic structure of the samples, which causes a variation in the value of optical band gap. The value of the Raman line intensity ratio I264/I320 has been successfully used to identify the structural transition from the triclinic to the orthorhombic phase of WO3. The PL spectra of the synthesized products excited at wavelengths 380, 400, and 420 nm exhibit intense emission peaks that cover the complete visible range (blue-green-red). The emission peaks at 460 and 486 nm were caused by the near band-edge and band to band transition, respectively. The peaks in spectral range 500-600 nm might be originated from the presence of oxygen vacancies lying within the energy band gap. The synthesized WO3 nanostructures showed improved photocatalytic activity for the photodegradation of MB dye. The enhanced photocatalytic activity of WO3 nanosheets compared to WO3 nanorods for photodegradation of methylene blue (MB) dye could be due to the shape of the nanostructured WO3. The sheet type of structure provides more active surface for the interaction of dye molecules compared to the rods, which results in a more efficient degradation of the dye molecules.

  10. Yunnan-III models for evolutionary population synthesis

    Science.gov (United States)

    Zhang, F.; Li, L.; Han, Z.; Zhuang, Y.; Kang, X.

    2013-02-01

    We build the Yunnan-III evolutionary population synthesis (EPS) models by using the mesa stellar evolution code, BaSeL stellar spectra library and the initial mass functions (IMFs) of Kroupa and Salpeter, and present colours and integrated spectral energy distributions (ISEDs) of solar-metallicity stellar populations (SPs) in the range of 1 Myr to 15 Gyr. The main characteristic of the Yunnan-III EPS models is the usage of a set of self-consistent solar-metallicity stellar evolutionary tracks (the masses of stars are from 0.1 to 100 M⊙). This set of tracks is obtained by using the state-of-the-art mesa code. mesa code can evolve stellar models through thermally pulsing asymptotic giant branch (TP-AGB) phase for low- and intermediate-mass stars. By comparisons, we confirm that the inclusion of TP-AGB stars makes the V - K, V - J and V - R colours of SPs redder and the infrared flux larger at ages log(t/yr) ≳ 7.6 [the differences reach the maximum at log(t/yr) ˜ 8.6, ˜0.5-0.2 mag for colours, approximately two times for K-band flux]. We also find that the colour-evolution trends of Model with-TPAGB at intermediate and large ages are similar to those from the starburst99 code, which employs the Padova-AGB stellar library, BaSeL spectral library and the Kroupa IMF. At last, we compare the colours with the other EPS models comprising TP-AGB stars (such as CB07, M05, V10 and POPSTAR), and find that the B - V colour agrees with each other but the V-K colour shows a larger discrepancy among these EPS models [˜1 mag when 8 ≲ log(t/yr) ≲ 9]. The stellar evolutionary tracks, isochrones, colours and ISEDs can be obtained on request from the first author or from our website (http://www1.ynao.ac.cn/~zhangfh/). Using the isochrones, you can build your EPS models. Now the format of stellar evolutionary tracks is the same as that in the starburst99 code; you can put them into the starburst99 code and get the SP's results. Moreover, the colours involving other passbands

  11. Synthesis, Characterization and Application of the novel, regular mesoporous materials MCM-41 and MCM-48

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, R.

    1995-07-01

    In the application of zeolites to catalytic cracking of heavy oil fractions the need of regular solids with large pore sizes has become very obvious. The scope of this thesis was to synthesize and characterize the novel mesoporous materials MCM-41 and MCM-48 with the major emphasis laid on MCM-41. MCM-41 materials with bulk Si/Al ratios of 4, 9, 18 and {infinity} were synthesized and characterized by XRD and HREM. The catalytic cracking behaviour of Al-containing MCM-41 materials was investigated by pulse reactor studies using decalin as model feed and by Micro Activity Tests using atmospheric residue or n-hexadecane as feed. Aluminium containing MCM-41 was found to be active for the cracking of heavy oil fractions. Purely siliceous MCM-41 materials with pore sizes ranging from 18 Aa to 40 Aa were synthesized and their properties studied by means of NMR spectroscopy. The MCM-48, which is a cubic member of the M41S family with a three dimensional pore system, was studied by means of a combination of X-ray powder diffraction and HREM technique. 210 refs., 76 figs., 9 tabs.

  12. Design, Synthesis, and Characterization of Nanostructured Materials for Energy Storage Devices and Flexible Chemical Sensors

    Science.gov (United States)

    Kang, Ning

    Nanomaterials have shown increasing applications in the design and fabrication of functional devices such as energy storage devices and sensor devices. A key challenge is the ability to harness the nanostructures in terms of size, shape, composition and structure so that the unique nanoscale functional properties can be exploited. This dissertation describes our findings in design, synthesis, and characterization of nanoparticles towards applications in two important fronts. The first involves the investigation of nanoalloy catalysts and functional nanoparticles for energy storage devices, including Li-air and Li-ion batteries, aiming at increasing the capacity and cycle performance. Part of this effort focuses on design of bifunctional nanocatalysts through alloying noble metal with non-noble transition metal to improve the ORR and OER activity of Li-air batteries. By manipulating the composition and alloying structure of the catalysts, synergetic effect has been demonstrated, which is substantiated by both experimental results and theoretical calculation for the charge/discharge process. The other part of the effort focuses on modification of Si nanoparticles towards high-capacity anode materials. The modification involved dopant elements, carbon coating, and graphene composite formation to manipulate the ability of the nanoparticles in accommodating the volume expansion. The second part focuses on the design, preparation and characterization of metal nanoparticles and nanocomposite materials for the application in flexible sensing devices. The investigation focuses on fabrication of a novel class of nanoparticle-nanofibrous membranes consisting of gold nanoparticles embedded in a multi-layered fibrous membrane as a tunable interfacial scaffold for flexible sweat sensors. Sensing responses to different ionic species in aqueous solutions and relative humidity changes in the environment were demonstrated, showing promising potential as flexible sensing devices for

  13. Material properties and modeling characteristics for MnFeP1-xAsx materials for application in magnetic refrigeration

    DEFF Research Database (Denmark)

    Engelbrecht, Kurt; Nielsen, Kaspar Kirstein; Bahl, Christian R.H.

    2013-01-01

    Compounds of MnFeP1-xAsx have received attention recently for their use in active magnetic regenerators (AMR) because of their relatively high isothermal entropy change and adiabatic temperature change with magnetization. However, the materials also generally exhibit a significant magnetic...... impact of hysteresis is a key element to guide successful material development and synthesis. The properties of a magnetocaloric MnFeP1-xAsx compound are characterized as a function of temperature and applied magnetic field, and the results are used to assess the effects of hysteresis on magnetocaloric...... and thermal hysteresis, and it is not well understood how the hysteresis will affect performance in a practical AMR device. The amount of hysteresis shown by a material can be controlled to an extent by tuning the processing conditions used during material synthesis; therefore, knowledge of the practical...

  14. Thermomechanics of solid materials with application to the Gurson-Tvergaard material model

    Energy Technology Data Exchange (ETDEWEB)

    Santaoja, K. [VTT Manufacturing Technology, Espoo (Finland). Materials and Structural Integrity

    1997-12-31

    The elastic-plastic material model for porous material proposed by Gurson and Tvergaard is evaluated. First a general description is given of constitutive equations for solid materials by thermomechanics with internal variables. The role and definition of internal variables are briefly discussed and the following definition is given: The independent variables present (possibly hidden) in the basic laws for thermomechanics are called controllable variables. The other independent variables are called internal variables. An internal variable is shown always to be a state variable. This work shows that if the specific dissipation function is a homogeneous function of degree one in the fluxes, a description for a time-independent process is obtained. When damage to materials is evaluated, usually a scalar-valued or tensorial variable called damage is introduced in the set of internal variables. A problem arises when determining the relationship between physically observable weakening of the material and the value for damage. Here a more feasible approach is used. Instead of damage, the void volume fraction is inserted into the set of internal variables. This allows use of an analytical equation for description of the mechanical weakening of the material. An extension to the material model proposed by Gurson and modified by Tvergaard is derived. The derivation is based on results obtained by thermomechanics and damage mechanics. The main difference between the original Gurson-Tvergaard material model and the extended one lies in the definition of the internal variable `equivalent tensile flow stress in the matrix material` denoted by {sigma}{sup M}. Using classical plasticity theory, Tvergaard elegantly derived an evolution equation for {sigma}{sup M}. This is not necessary in the present model, since damage mechanics gives an analytical equation between the stress tensor {sigma} and {sigma}M. Investigation of the Clausius-Duhem inequality shows that in compression

  15. Mathematical and Numerical Analyses of Peridynamics for Multiscale Materials Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Du, Qiang [Pennsylvania State Univ., State College, PA (United States)

    2014-11-12

    The rational design of materials, the development of accurate and efficient material simulation algorithms, and the determination of the response of materials to environments and loads occurring in practice all require an understanding of mechanics at disparate spatial and temporal scales. The project addresses mathematical and numerical analyses for material problems for which relevant scales range from those usually treated by molecular dynamics all the way up to those most often treated by classical elasticity. The prevalent approach towards developing a multiscale material model couples two or more well known models, e.g., molecular dynamics and classical elasticity, each of which is useful at a different scale, creating a multiscale multi-model. However, the challenges behind such a coupling are formidable and largely arise because the atomistic and continuum models employ nonlocal and local models of force, respectively. The project focuses on a multiscale analysis of the peridynamics materials model. Peridynamics can be used as a transition between molecular dynamics and classical elasticity so that the difficulties encountered when directly coupling those two models are mitigated. In addition, in some situations, peridynamics can be used all by itself as a material model that accurately and efficiently captures the behavior of materials over a wide range of spatial and temporal scales. Peridynamics is well suited to these purposes because it employs a nonlocal model of force, analogous to that of molecular dynamics; furthermore, at sufficiently large length scales and assuming smooth deformation, peridynamics can be approximated by classical elasticity. The project will extend the emerging mathematical and numerical analysis of peridynamics. One goal is to develop a peridynamics-enabled multiscale multi-model that potentially provides a new and more extensive mathematical basis for coupling classical elasticity and molecular dynamics, thus enabling next

  16. A multifluid mix model with material strength effects

    Energy Technology Data Exchange (ETDEWEB)

    Chang, C. H. [Los Alamos National Laboratory; Scannapieco, A. J. [Los Alamos National Laboratory

    2012-04-23

    We present a new multifluid mix model. Its features include material strength effects and pressure and temperature nonequilibrium between mixing materials. It is applicable to both interpenetration and demixing of immiscible fluids and diffusion of miscible fluids. The presented model exhibits the appropriate smooth transition in mathematical form as the mixture evolves from multiphase to molecular mixing, extending its applicability to the intermediate stages in which both types of mixing are present. Virtual mass force and momentum exchange have been generalized for heterogeneous multimaterial mixtures. The compression work has been extended so that the resulting species energy equations are consistent with the pressure force and material strength.

  17. MODELLING OF HEAT CONDUCTIVITY OF COMPOSITE MATERIALS WITH BALL INCLUSIONS

    Directory of Open Access Journals (Sweden)

    V. Pugachev Oleg

    2017-01-01

    Full Text Available A number of papers deals with the heat conductivity of composite materials: Zarubin et al used new approaches to the problem of evaluation of the effective heat conductivity coefficients of composite material with ball inclusions. We used variational analysis for a simplified model in a vicinity of inclusion. Contemporary computers allow implementing another approach to solving the problem of the effective heat conductivity: it may be modelled by the Brownian motion of virtual heat particles. The main idea is to obtain the exact formula for the heat conductivity for a homogeneous material and subsequently obtain a statistical evaluation of this formula for a composite material.In the present paper we compare two methods for finding the effective heat conductivity coefficients of composite materials by modeling the process of heat conduction via the Brownian motion of virtual heat particles. We consider a composite with ball inclusions of a material with heat conductivity and heat capacity coefficientsdiffering from those of the matrix material. In a computational experiment, we simulate the process of heatconduction through a flat layer of the composite material, which has been heated on one side at the initial moment. In order to find the confidence interval for the effective heat conductivity coefficient, we find, by means of statistics, either the displacement of the center of heat energy, or the probability of a virtual particle to pass through the layer during a certain time. We compare our results with theoretical assessments suggested by other authors.

  18. A Behavioral Handwriting Model for Static and Dynamic Signature Synthesis.

    Science.gov (United States)

    Ferrer, Miguel A; Diaz, Moises; Carmona-Duarte, Cristina; Morales, Aythami

    2017-06-01

    The synthetic generation of static handwritten signatures based on motor equivalence theory has been recently proposed for biometric applications. Motor equivalence divides the human handwriting action into an effector dependent cognitive level and an effector independent motor level. The first level has been suggested by others as an engram, generated through a spatial grid, and the second has been emulated with kinematic filters. Our paper proposes a development of this methodology in which we generate dynamic information and provide a unified comprehensive synthesizer for both static and dynamic signature synthesis. The dynamics are calculated by lognormal sampling of the 8-connected continuous signature trajectory, which includes, as a novelty, the pen-ups. The forgery generation imitates a signature by extracting the most perceptually relevant points of the given genuine signature and interpolating them. The capacity to synthesize both static and dynamic signatures using a unique model is evaluated according to its ability to adapt to the static and dynamic signature inter- and intra-personal variability. Our highly promising results suggest the possibility of using the synthesizer in different areas beyond the generation of unlimited databases for biometric training.

  19. Synthesis and materialization of a reaction-diffusion French flag pattern

    Science.gov (United States)

    Zadorin, Anton S.; Rondelez, Yannick; Gines, Guillaume; Dilhas, Vadim; Urtel, Georg; Zambrano, Adrian; Galas, Jean-Christophe; Estevez-Torres, André

    2017-10-01

    During embryo development, patterns of protein concentration appear in response to morphogen gradients. These patterns provide spatial and chemical information that directs the fate of the underlying cells. Here, we emulate this process within non-living matter and demonstrate the autonomous structuration of a synthetic material. First, we use DNA-based reaction networks to synthesize a French flag, an archetypal pattern composed of three chemically distinct zones with sharp borders whose synthetic analogue has remained elusive. A bistable network within a shallow concentration gradient creates an immobile, sharp and long-lasting concentration front through a reaction-diffusion mechanism. The combination of two bistable circuits generates a French flag pattern whose 'phenotype' can be reprogrammed by network mutation. Second, these concentration patterns control the macroscopic organization of DNA-decorated particles, inducing a French flag pattern of colloidal aggregation. This experimental framework could be used to test reaction-diffusion models and fabricate soft materials following an autonomous developmental programme.

  20. A hydrodynamic model for granular material flows including segregation effects

    Directory of Open Access Journals (Sweden)

    Gilberg Dominik

    2017-01-01

    Full Text Available The simulation of granular flows including segregation effects in large industrial processes using particle methods is accurate, but very time-consuming. To overcome the long computation times a macroscopic model is a natural choice. Therefore, we couple a mixture theory based segregation model to a hydrodynamic model of Navier-Stokes-type, describing the flow behavior of the granular material. The granular flow model is a hybrid model derived from kinetic theory and a soil mechanical approach to cover the regime of fast dilute flow, as well as slow dense flow, where the density of the granular material is close to the maximum packing density. Originally, the segregation model has been formulated by Thornton and Gray for idealized avalanches. It is modified and adapted to be in the preferred form for the coupling. In the final coupled model the segregation process depends on the local state of the granular system. On the other hand, the granular system changes as differently mixed regions of the granular material differ i.e. in the packing density. For the modeling process the focus lies on dry granular material flows of two particle types differing only in size but can be easily extended to arbitrary granular mixtures of different particle size and density. To solve the coupled system a finite volume approach is used. To test the model the rotational mixing of small and large particles in a tumbler is simulated.

  1. A hydrodynamic model for granular material flows including segregation effects

    Science.gov (United States)

    Gilberg, Dominik; Klar, Axel; Steiner, Konrad

    2017-06-01

    The simulation of granular flows including segregation effects in large industrial processes using particle methods is accurate, but very time-consuming. To overcome the long computation times a macroscopic model is a natural choice. Therefore, we couple a mixture theory based segregation model to a hydrodynamic model of Navier-Stokes-type, describing the flow behavior of the granular material. The granular flow model is a hybrid model derived from kinetic theory and a soil mechanical approach to cover the regime of fast dilute flow, as well as slow dense flow, where the density of the granular material is close to the maximum packing density. Originally, the segregation model has been formulated by Thornton and Gray for idealized avalanches. It is modified and adapted to be in the preferred form for the coupling. In the final coupled model the segregation process depends on the local state of the granular system. On the other hand, the granular system changes as differently mixed regions of the granular material differ i.e. in the packing density. For the modeling process the focus lies on dry granular material flows of two particle types differing only in size but can be easily extended to arbitrary granular mixtures of different particle size and density. To solve the coupled system a finite volume approach is used. To test the model the rotational mixing of small and large particles in a tumbler is simulated.

  2. Synthesis of microporous material faujasite-type from kaolin waste; Sintese de material microporoso do tipo faujasita a partir de rejeito de caulim

    Energy Technology Data Exchange (ETDEWEB)

    Hildebrando, E.A.; Valenzuela-Diaz, F.R., E-mail: edemarino@usp.b [Universidade de Sao Paulo (USP), SP (Brazil). Dept. de Engenharia Metalurgica e de Materiais. Lab. de Materias-Primas Particuladas e Solidos nao Metalicos; Angelica, R.S. [Universidade Federal do Para (UFPA), Belem, PA (Brazil). Inst. de Geociencias. Fac. de Geologia; Neves, R.F. [Universidade Federal do Para (UFPA), Belem, PA (Brazil). Inst. de Tecnologia. Fac. de Engenharia Quimica

    2010-07-01

    Zeolite with structure faujasite was synthesized using kaolin waste from kaolin processing industries for paper coating as predominant source of silicon and aluminum; the starting material was characterized by XRF, XRD, DTA/TG, SEM, and products obtained by XRD and SEM. Synthesis in hydrothermal conditions occurred on autoclave and time-temperature effects, as well as the relationship Si/Al were considered. The results show that the methodology developed with the waste of calcined kaolin reacting at 90 deg C for 20 hours in an alkaline medium, in the presence of an additional source of silica was obtained zeolite Y as single phase present in the product. (author)

  3. External exposure model for various geometries of contaminated materials

    International Nuclear Information System (INIS)

    LePoire, D.; Kamboj, S.; Yu, C.

    1996-01-01

    A computational model for external exposure was developed for the U.S. Department of Energy's residual radioactive material guideline computer code (RESRAD) on the basis of dose coefficients from Federal Guidance Report No. 12 and the point-kernel method. This model includes the effects of different materials and exposure distances, as well as source geometry (cover thickness, source depth, area, and shape). A material factor is calculated on the basis of the point-kernel method using material-specific photon cross-section data and buildup factors. This present model was incorporated into RESRAD-RECYCLE (a RESRAD family code used for computing radiological impacts of metal recycling) and is being incorporated into RESRAD-BUILD (a DOE recommended code for computing impacts of building decontamination). The model was compared with calculations performed with the Monte Carlo N-Particle Code (MCNP) and the Microshield code for three different source geometries, three different radionuclides ( 234 U, 238 U, and 60 Co, representing low, medium, and high energy, respectively), and five different source materials (iron, copper, aluminum, water, and soil). The comparison shows that results of this model are in very good agreement with MCNP calculations (within 5% for 60 Co and within 30% for 238 U and 234 U for all materials and source geometries). Significant differences (greater than 100%) were observed with Microshield for thin 234 U sources

  4. Modeling and computer simulation of ion beam synthesis of nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Strobel, M.

    1999-11-01

    The following topics were dealt with: ion beam synthesis of nanoclusters, kinetic three dimensional lattice Monte Carlo method, Ostwald ripening, redistribution of implanted impurities, buried layer formation, comparisation to experimental results.

  5. Sound Synthesis and Musical Composition by Physical Modelling of Self-Sustained Oscillating Structures

    OpenAIRE

    Poyer, François; Cadoz, Claude

    2007-01-01

    Paper 3 - Audio Synthesis (Oral Presentations); International audience; In this paper, we present the first results of a study that is carried out with the sound synthesis and musical creation environment GENESIS on self-sustained oscillating structures models. Based on the mass-interaction CORDIS-ANIMA physical modelling formalism, GENESIS has got the noteworthy property that it allows to work both on sound itself and on musical composition in a single coherent environment. By taking as a st...

  6. Visual Representation in GENESIS as a tool for Physical Modeling, Sound Synthesis and Musical Composition

    OpenAIRE

    Villeneuve, Jérôme; Cadoz, Claude; Castagné, Nicolas

    2015-01-01

    The motivation of this paper is to highlight the importance of visual representations for artists when modeling and simulating mass-interaction physical networks in the context of sound synthesis and musical composition. GENESIS is a musician-oriented software environment for sound synthesis and musical composition. However, despite this orientation, a substantial amount of effort has been put into building a rich variety of tools based on static or dynamic visual representations of models an...

  7. Novel functionalized polymeric fabric and fiber material as solid support for solid-phase synthesis and biomedical applications

    Science.gov (United States)

    Xiang, Bei

    The aim of the research is to develop novel polymer solid support by modifying or fabricating polymeric fibrous materials for peptide synthesis and biomedical applications. Originally chemical inert isotactic polypropylene (iPP) fabric was utilized and modified to serve as a functional flexible planar solid support for solid phase peptide synthesis. The modification was achieved through thermal initiated radical grafting polymerization using acrylic acid, poly (ethylene glycol) diacrylate as monomers, and benzoyl peroxide as radical initiator. The iPP fabric was successfully functionalized and possessing as high as 0.7mmol/g carboxylic acid groups. Peptide ligand LHPQF was successfully synthesized on the new functional planar support. Specific enzyme immobilization was fulfilled on the functional iPP fabric support. A commercially available ethylene-acrylic acid copolymer was made into ultrafine copolymer fiber bundles which are composed of nanofibers with diameters ranging from 200nm to 800nm. Various mixing ratios of copolymer/matrix materials were utilized to explore the effect on the final nanofiber physical properties including morphology and stability in solvents. The surface carboxylic acid groups were further converted to amino groups before the functional nanofibers can be applied in solid phase peptide synthesis. Two peptide ligands, LHPQF and HWRGWV, were also successfully synthesized on the nanofiber bundles. Streptavidin and human immunoglobulin G specific binding with the corresponding ligand which was anchored on the nanofibers was conducted successfully to illustrate the potential applications of the nanofiber materials in biomedical field. Further study on the dispersion of the ethylene-acrylic acid nanofiber bundles was pursued to take advantage of the super high active surface area of functional nanofibers. To manipulate the polymer nanofibers during synthesis and bio-assays, a technique was developed to controllably assemble and disperse the

  8. Modeling and analysis for surface roughness and material removal ...

    African Journals Online (AJOL)

    user

    terms of cutting parameters is also developed using regression modeling. The results indicate that the developed model is suitable for prediction of surface roughness and material removal rate in machining of unidirectional glass fiber reinforced plastics (UD-GFRP) composites. The predicted values and measured values ...

  9. Finite element modelling of fibre-reinforced brittle materials

    NARCIS (Netherlands)

    Kullaa, J.

    1997-01-01

    The tensile constitutive behaviour of fibre-reinforced brittle materials can be extended to two or three dimensions by using the finite element method with crack models. The three approaches in this study include the smeared and discrete crack concepts and a multi-surface plasticity model. The

  10. Modeling and analysis for surface roughness and material removal ...

    African Journals Online (AJOL)

    International Journal of Engineering, Science and Technology ... A multiple objective utility model has been studied to optimize both the dependent parameters. ... Keywords: UD-GFRP composites, ANOVA, multi response optimization, utility concept, regression modeling, surface roughness, material removal rate, ...

  11. Materials and electromagnetism. The modeling of composite materials; Materiaux en electromagnetisme. Modelisation des materiaux composites

    Energy Technology Data Exchange (ETDEWEB)

    Priou, A. [Institut Universitaire de Technologie, 92 - Ville-d' Avray (France)

    1999-01-01

    Maxwell laws are briefly described and the different types of electromagnetic materials are presented. Composite materials are made up of at least 2 phases: a host phase and an inclusion. The inclusion is a discontinuous phase coming from a conducting material (metal, carbon based material, semi-conductor, solid electrolytes or conducting polymers) and is spread within the host phase either in an aleatory or organized way. The modeling of such media can be made by 3 different approaches. In the multi-diffusion approach, the size of the particles enclosed in the host material and their mutual interactions are taken into account. The quasi-static approach allows the definition of an equivalent medium in order to describe percolation phenomena. The approach based on cluster theory gives a complete mathematical description of composite materials. The modeling of dielectric-conducting multilayer is also presented. The last part of the article is dedicated to the characteristics and applications of chiral media and of last generation electromagnetic materials. (A.C.)

  12. Elastic properties of synthetic materials for soft tissue modeling

    International Nuclear Information System (INIS)

    Mansy, H A; Grahe, J R; Sandler, R H

    2008-01-01

    Mechanical models of soft tissue are useful for studying vibro-acoustic phenomena. They may be used for validating mathematical models and for testing new equipment and techniques. The objective of this study was to measure density and visco-elastic properties of synthetic materials that can be used to build such models. Samples of nine different materials were tested under dynamic (0.5 Hz) compressive loading conditions. The modulus of elasticity of the materials was varied, whenever possible, by adding a softener during manufacturing. The modulus was measured over a nine month period to quantify the effect of ageing and softener loss on material properties. Results showed that a wide range of the compression elasticity modulus (10 to 1400 kPa) and phase (3.5 0 -16.7 0 ) between stress and strain were possible. Some materials tended to exude softener over time, resulting in a weight loss and elastic properties change. While the weight loss under normal conditions was minimal in all materials (<3% over nine months), loss under accelerated weight-loss conditions can reach 59%. In the latter case an elasticity modulus increase of up to 500% was measured. Key advantages and limitations of candidate materials were identified and discussed

  13. Breaking of rod-shaped model material during compression

    Directory of Open Access Journals (Sweden)

    Lukas Kulaviak

    2017-01-01

    Full Text Available The breakage of a model anisometric dry granular material caused by uniaxial compression was studied. The bed of uniform rod-like pasta particles (8 mm long, aspect ratio 1:8 was compressed (Gamlen Tablet Press and their size distribution was measured after each run (Dynamic Image Analysing. The compression dynamics was recorded and the effect of several parameters was tested (rate of compression, volume of granular bed, pressure magnitude and mode of application. Besides the experiments, numerical modelling of the compressed breakable material was performed as well, employing the DEM approach (Discrete Element Method. The comparison between the data and the model looks promising.

  14. Modelling of material handling operations using controlled traffic

    DEFF Research Database (Denmark)

    Bochtis, Dionysis; Sørensen, Claus Aage Grøn; Jørgensen, Rasmus Nyholm

    2009-01-01

    and maintaining permanent traffic lanes within the fields. Furthermore, field efficiency is affected by CTF due to significant increases in idle time of in-field transport and the way the fields are traversed in material handling operations. During fertilisation, when tramline length and the driving distance......, makes existing models inadequate for evaluating field efficiency. In this paper, the development of a discrete-event model for the prediction of travelled distances of a machine operating in material handling operations using the concept of CTF is presented. The model is based on the mathematical...

  15. Multiscale modeling of complex materials phenomenological, theoretical and computational aspects

    CERN Document Server

    Trovalusci, Patrizia

    2014-01-01

    The papers in this volume deal with materials science, theoretical mechanics and experimental and computational techniques at multiple scales, providing a sound base and a framework for many applications which are hitherto treated in a phenomenological sense. The basic principles are formulated of multiscale modeling strategies towards modern complex multiphase materials subjected to various types of mechanical, thermal loadings and environmental effects. The focus is on problems where mechanics is highly coupled with other concurrent physical phenomena. Attention is also focused on the historical origins of multiscale modeling and foundations of continuum mechanics currently adopted to model non-classical continua with substructure, for which internal length scales play a crucial role.

  16. Synthesis of Iminodiacetate Functionalized Polypropylene Films and Their Efficacy as Antioxidant Active-Packaging Materials.

    Science.gov (United States)

    Lin, Zhuangsheng; Roman, Maxine J; Decker, Eric A; Goddard, Julie M

    2016-06-08

    The introduction of metal-chelating ligands to the food-contact surface of packaging materials may enable the removal of synthetic chelators (e.g., ethylenediamine tetra-acetic acid (EDTA)) from food products. In this study, the metal-chelating ligand iminodiacetate (IDA) was covalently grafted onto polypropylene surfaces to produce metal-chelating active-packaging films. The resulting films were able to chelate 138.1 ± 26 and 210.0 ± 28 nmol/cm(2) Fe(3+) and Cu(2+) ions, respectively, under acidic conditions (pH 3.0). The films demonstrated potent antioxidant efficacy in two model food systems. In an emulsified-oil system, the chelating materials extended the lag phase of both lipid hydroperoxide and hexanal formation from 5 to 25 days and were as effective as EDTA. The degradation half-life of ascorbic acid in an aqueous solution was extended from 5 to 14 days. This work demonstrates the potential application of surface-grafted chelating IDA ligands as effective antioxidant active food-packaging materials.

  17. Strain Rate Dependant Material Model for Orthotropic Metals

    Science.gov (United States)

    Vignjevic, Rade

    2016-08-01

    In manufacturing processes anisotropic metals are often exposed to the loading with high strain rates in the range from 102 s-1 to 106 s-1 (e.g. stamping, cold spraying and explosive forming). These types of loading often involve generation and propagation of shock waves within the material. The material behaviour under such a complex loading needs to be accurately modelled, in order to optimise the manufacturing process and achieve appropriate properties of the manufactured component. The presented research is related to development and validation of a thermodynamically consistent physically based constitutive model for metals under high rate loading. The model is capable of modelling damage, failure and formation and propagation of shock waves in anisotropic metals. The model has two main parts: the strength part which defines the material response to shear deformation and an equation of state (EOS) which defines the material response to isotropic volumetric deformation [1]. The constitutive model was implemented into the transient nonlinear finite element code DYNA3D [2] and our in house SPH code. Limited model validation was performed by simulating a number of high velocity material characterisation and validation impact tests. The new damage model was developed in the framework of configurational continuum mechanics and irreversible thermodynamics with internal state variables. The use of the multiplicative decomposition of deformation gradient makes the model applicable to arbitrary plastic and damage deformations. To account for the physical mechanisms of failure, the concept of thermally activated damage initially proposed by Tuller and Bucher [3], Klepaczko [4] was adopted as the basis for the new damage evolution model. This makes the proposed damage/failure model compatible with the Mechanical Threshold Strength (MTS) model Follansbee and Kocks [5], 1988; Chen and Gray [6] which was used to control evolution of flow stress during plastic deformation. In

  18. Synthesis and characterization of cycloaliphatic hydrophilic polyurethanes, modified with l-ascorbic acid, as materials for soft tissue regeneration.

    Science.gov (United States)

    Kucinska-Lipka, J; Gubanska, I; Strankowski, M; Cieśliński, H; Filipowicz, N; Janik, H

    2017-06-01

    In this paper we described synthesis and characteristic of obtained hydrophilic polyurethanes (PURs) modified with ascorbic acid (commonly known as vitamin C). Such materials may find an application in the biomedical field, for example in the regenerative medicine of soft tissues, according to ascorbic acid wide influence on tissue regeneration Flora (2009), Szymańska-Pasternak et al. (2011), Taikarimi and Ibrahim (2011), Myrvik and Volk (1954), Li et al. (2001), Cursino et al. (2005) . Hydrophilic PURs were obtained with the use of amorphous α,ω-dihydroxy(ethylene-butylene adipate) (dHEBA) polyol, 1,4-butanediol (BDO) chain extender and aliphatic 4,4'-methylenebis(cyclohexyl isocyanate) (HMDI). HMDI was chosen as a nontoxic diisocyanate, suitable for biomedical PUR synthesis. Modification with l-ascorbic acid (AA) was performed to improve obtained PUR materials biocompatibility. Chemical structure of obtained PURs was provided and confirmed by Fourier transform infrared spectroscopy (FTIR) and Proton nuclear magnetic resonance spectroscopy ( 1 HNMR). Differential scanning calorimetry (DSC) was used to indicate the influence of ascorbic acid modification on such parameters as glass transition temperature, melting temperature and melting enthalpies of obtained materials. To determine how these materials may potentially behave, after implementation in tissue, degradation behavior of obtained PURs in various chemical environments, which were represented by canola oil, saline solution, distilled water and phosphate buffered saline (PBS) was estimated. The influence of AA on hydrophilic-hydrophobic character of obtained PURs was established by contact angle study. This experiment revealed that ascorbic acid significantly improves hydrophilicity of obtained PUR materials and the same cause that they are more suitable candidates for biomedical applications. Good hemocompatibility characteristic of studied PUR materials was confirmed by the hemocompatibility test with

  19. The sphere-in-contact model of carbon materials.

    Science.gov (United States)

    Zeinalipour-Yazdi, Constantinos D; Pullman, David P; Catlow, C Richard A

    2016-01-01

    A sphere-in-contact model is presented that is used to build physical models of carbon materials such as graphite, graphene, carbon nanotubes and fullerene. Unlike other molecular models, these models have correct scale and proportions because the carbon atoms are represented by their atomic radius, in contrast to the more commonly used space-fill models, where carbon atoms are represented by their van der Waals radii. Based on a survey taken among 65 undergraduate chemistry students and 28 PhD/postdoctoral students with a background in molecular modeling, we found misconceptions arising from incorrect visualization of the size and location of the electron density located in carbon materials. Based on analysis of the survey and on a conceptual basis we show that the sphere-in-contact model provides an improved molecular representation of the electron density of carbon materials compared to other molecular models commonly used in science textbooks (i.e., wire-frame, ball-and-stick, space-fill). We therefore suggest that its use in chemistry textbooks along with the ball-and-stick model would significantly enhance the visualization of molecular structures according to their electron density. Graphical Abstract A sphere-in-contact model of C60-fullerene.

  20. A large amount synthesis of nanopowder using modulated induction thermal plasmas synchronized with intermittent feeding of raw materials

    International Nuclear Information System (INIS)

    Tanaka, Y; Tsuke, T; Guo, W; Uesugi, Y; Ishijima, T; Watanabe, S; Nakamura, K

    2012-01-01

    A large amount synthesis method for titanium dioxide (TiO 2 ) nanopowder is proposed by direct evaporation of titanium powders using Ar-O 2 pulse-modulated induction thermal plasma (PMITP). To realize a large amount synthesis of nanopowder, the PMITP method was combined with the intermittent and heavy load feeding of raw material powder, as well as the quenching gas injection. The intermittent powder feeding was synchronized with the modulation of the coil current sustaining the PMITP for complete evaporation of the injected powder. Synthesized particles by the developed method were analyzed by FE-SEM and XRD. Results indicated that the synthesized particles by the 20-kW PMITP with a heavy loading rate of 12.3 g min −1 had a similar particle size distribution with the mean diameter about 40 nm to those with light loading of 4.2 g min −1 .

  1. Microfluidic very large scale integration (VLSI) modeling, simulation, testing, compilation and physical synthesis

    CERN Document Server

    Pop, Paul; Madsen, Jan

    2016-01-01

    This book presents the state-of-the-art techniques for the modeling, simulation, testing, compilation and physical synthesis of mVLSI biochips. The authors describe a top-down modeling and synthesis methodology for the mVLSI biochips, inspired by microelectronics VLSI methodologies. They introduce a modeling framework for the components and the biochip architecture, and a high-level microfluidic protocol language. Coverage includes a topology graph-based model for the biochip architecture, and a sequencing graph to model for biochemical application, showing how the application model can be obtained from the protocol language. The techniques described facilitate programmability and automation, enabling developers in the emerging, large biochip market. · Presents the current models used for the research on compilation and synthesis techniques of mVLSI biochips in a tutorial fashion; · Includes a set of "benchmarks", that are presented in great detail and includes the source code of several of the techniques p...

  2. Model-Based Synthesis of Visual Speech Movements from 3D Video

    Directory of Open Access Journals (Sweden)

    Edge JamesD

    2009-01-01

    Full Text Available We describe a method for the synthesis of visual speech movements using a hybrid unit selection/model-based approach. Speech lip movements are captured using a 3D stereo face capture system and split up into phonetic units. A dynamic parameterisation of this data is constructed which maintains the relationship between lip shapes and velocities; within this parameterisation a model of how lips move is built and is used in the animation of visual speech movements from speech audio input. The mapping from audio parameters to lip movements is disambiguated by selecting only the most similar stored phonetic units to the target utterance during synthesis. By combining properties of model-based synthesis (e.g., HMMs, neural nets with unit selection we improve the quality of our speech synthesis.

  3. Ultrasonic assisted synthesis of Bikitaite zeolite: A potential material for hydrogen storage application.

    Science.gov (United States)

    Roy, Priyanka; Das, Nandini

    2017-05-01

    Li containing Bikitaite zeolite has been synthesized by an ultrasound-assisted method and used as a potential material for hydrogen storage application. The Sonication energy was varied from 150W to 250W and irradiation time from 3h to 6h. The Bikitaite nanoparticles were characterized by X-ray diffraction (XRD), infrared (IR) spectral analysis, and field-emission scanning electron microscopy (FESEM) thermo-gravimetrical analysis and differential thermal analysis (TGA, DTA). XRD and IR results showed that phase pure, nano crystalline Bikitaite zeolites were started forming after 3h irradiation and 72h of aging with a sonication energy of 150W and nano crystalline Bikitaite zeolite with prominent peaks were obtained after 6h irradiation of 250W sonic energy. The Brunauer-Emmett-Teller (BET) surface area of the powder by N 2 adsorption-desorption measurements was found to be 209m 2 /g. The TEM micrograph and elemental analysis showed that desired atomic ratio of the zeolite was obtained after 6h irradiation. For comparison, sonochemical method, followed by the hydrothermal method, with same initial sol composition was studied. The effect of ultrasonic energy and irradiation time showed that with increasing sonication energy, and sonication time phase formation was almost completed. The FESEM images revealed that 50nm zeolite crystals were formed at room temperature. However, agglomerated particles having woollen ball like structure was obtained by sonochemical method followed by hydrothermal treatment at 100°C for 24h. The hydrogen adsorption capacity of Bikitaite zeolite with different Li content, has been investigated. Experimental results indicated that the hydrogen adsorption capacities were dominantly related to their surface areas as well as total pore volume of the zeolite. The hydrogen adsorption capacity of 143.2c.c/g was obtained at 77K and ambient pressure of (0.11MPa) for the Bikitaite zeolite with 100% Li, which was higher than the reported values for

  4. A whole range hygric material model: Modelling liquid and vapour transport properties in porous media

    DEFF Research Database (Denmark)

    Scheffler, Gregor Albrecht; Plagge, Rudolf

    2010-01-01

    This paper addresses the modelling of hygric material coefficients bridging the gap between measured material properties and the non-linear storage and transport coefficients in the transfer equation. The conductivity approach and a bundle of tubes model are the basis. By extending this model...... with a mechanistic treatment of serial and parallel structured transport, a semi-empirical material model is developed. Deriving the transport properties from the pore structure of the material, the model provides a physical basis whereas a high flexibility and adjustability is obtained by the coupling...... with the mechanistic model. The required minimum input data are basic standard material properties. The model is very suitable for sophisticated research as well as for a broad application to porous materials in general....

  5. Laser cutting of laminated sheet material: a modeling exercise

    Science.gov (United States)

    de Graaf, Roelof F.; Meijer, Johan

    1997-08-01

    Laser cutting has been investigated for a number of aluminum-synthetic laminates, newly developed materials for the aeronautic and automotive industry. The materials consist of alternating aluminum and synthetic layers. It is shown that these materials can be cut at rates comparable to those of homogeneous aluminum alloys. The cuts show little dross attachment. Also some damage on the synthetic layers has to be accepted. These results initiated a modeling exercise, which resulted in a numerical simulation code. The applied cutting model is based on describing the material in several horizontal layers, each with its own specific thermophysical and optical properties. The separate layers are coupled by known mass, energy and force balanced equations.

  6. Review of probabilistic models of the strength of composite materials

    International Nuclear Information System (INIS)

    Sutherland, L.S.; Guedes Soares, C.

    1997-01-01

    The available literature concerning probabilistic models describing the strength of composite materials has been reviewed to highlight the important aspects of this behaviour which will be of interest to the modelling and analysis of a complex system. The success with which these theories have been used to predict experimental results has been discussed. Since the brittle reinforcement phase largely controls the strength of composites, the probabilistic theories used to describe the strength of brittle materials, fibres and bundles of fibres have been detailed. The use of these theories to predict the strength of composite materials has been considered, along with further developments incorporating the damage accumulation observed in the failure of such materials. Probabilistic theories of the strength of short-fibre composites have been outlined. Emphasis has been placed throughout on straightforward engineering explanations of these theories and how they may be used, rather than providing comprehensive statistical descriptions

  7. Diffusion in energy materials: Governing dynamics from atomistic modelling

    Science.gov (United States)

    Parfitt, D.; Kordatos, A.; Filippatos, P. P.; Chroneos, A.

    2017-09-01

    Understanding diffusion in energy materials is critical to optimising the performance of solid oxide fuel cells (SOFCs) and batteries both of which are of great technological interest as they offer high efficiency for cleaner energy conversion and storage. In the present review, we highlight the insights offered by atomistic modelling of the ionic diffusion mechanisms in SOFCs and batteries and how the growing predictive capability of high-throughput modelling, together with our new ability to control compositions and microstructures, will produce advanced materials that are designed rather than chosen for a given application. The first part of the review focuses on the oxygen diffusion mechanisms in cathode and electrolyte materials for SOFCs and in particular, doped ceria and perovskite-related phases with anisotropic structures. The second part focuses on disordered oxides and two-dimensional materials as these are very promising systems for battery applications.

  8. Thermal modelling of extrusion based additive manufacturing of composite materials

    DEFF Research Database (Denmark)

    Jensen, Mathias Laustsen; Sonne, Mads Rostgaard; Hattel, Jesper Henri

    One of the hottest topics regarding manufacturing these years is additive manufacturing (AM). AM is a young branch of manufacturing techniques, which by nature is disruptive due to its completely different manufacturing approach, wherein material is added instead of removed. By adding material...... of composite parts not feasible by conventional manufacturing techniques. This sets up new requirements to the part verification and validation, while conventional destructive tests become too expensive. This initial study aims to investigate alternative options to this destructive testing by increasing......-butadiene-styrene (ABS) and thermosetting polyurethane (PU) material extrusion processes. During the experimental evaluation of the produced models it is found that some critical material properties needs to be further investigated to increase the precision of the model. It is however also found that even with only...

  9. Synthesis and characterization of zeolite material from coal ashes modified by surfactant; Sintese e caracterizacao de material zeolitico de cinzas de carvao modificado por surfactante

    Energy Technology Data Exchange (ETDEWEB)

    Fungaro, D.A., E-mail: dfungaro@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (CQMA/IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Centro de Quimica e Meio Ambiente; Borrely, S.I. [Instituto de Pesquisas Energeticas e Nucleares (CTR/IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Centro de Tecnologia das Radiacoes

    2010-07-01

    Coal ash was used as starting material for zeolite synthesis by means of hydrothermal treatment. The surfactant-modified zeolite (SMZ) was prepared by adsorbing the cationic surfactant hexadecyltrimethylammonium bromide (HDTMA-Br) on the external surface of the zeolite from coal ash. The zeolite structure stability was monitored during the characterization of the materials by FTIR, XDR and SEM. The structural parameters of surfactant-modified zeolite are very close to that of corresponding non-modified zeolite which indicates that the crystalline nature of the zeolite remained intact after required chemical treatment with HDTMA-Br molecules and heating treatment for drying. The most intense peaks in the FTIR spectrum of HDTMA-Br were observed in SMZ spectrum confirming adsorption of surfactant on zeolites. (author)

  10. Synthesis of silver sulfide modified carbon materials for adsorptive removal of dibenzothiophene in n-hexane.

    Science.gov (United States)

    Nazal, Mazen K; Khaled, Mazen; Aljundi, Isam H; Atieh, Muataz; Oweimreen, Ghassan A; Abulkibash, Abdalla M

    2017-12-01

    Carbon nanotube (CNT) and graphene oxide (GO) as common nanostructures were modified with silver sulfide (Ag 2 S) using chemical vapor deposition. The raw and modified materials were tested for the removal of Dibenzothiophene (DBT) from a model fuel in batch mode adsorption experiments. The maximum adsorption capacities of DBT were 52.18 and 49.65 mg g -1 , using CNT-Ag 2 S and GO-Ag 2 S, respectively. The adsorption isotherm was modeled using Freundlich, Langmuir and Temkin models using linear and non-linear regression. The squared correlation coefficient (R 2 ) and HYBRID error function were used to determine the best adsorption model. IR spectroscopy was used to study the DBT adsorption mechanism, and it was found that the DBT molecules lie flat on the surface of the developed adsorbents. Significant improvement was achieved in the adsorption of DBT using CNT-Ag2S and GO-Ag 2 S, where the maximum adsorption capacity increased by 127% and 117% respectively, which indicates a stronger interaction between DBT and the modified adsorbents.

  11. Fatigue crack initiation in crystalline materials - experimental evidence and models

    Czech Academy of Sciences Publication Activity Database

    Polák, Jaroslav; Man, Jiří; Vystavěl, T.; Zouhar, Lukáš

    2007-01-01

    Roč. 345-346, - (2007), s. 379-382 ISSN 1013-9826. [International Conference on The Mechanical Behavior of Materials /10./. Busan , 27.05.2007-31.05.2007] R&D Projects: GA ČR GA106/06/1096; GA ČR GA101/07/1500 Institutional research plan: CEZ:AV0Z20410507 Keywords : fatigue * crack initiation * modeling Subject RIV: JL - Materials Fatigue, Friction Mechanics Impact factor: 0.224, year: 2005

  12. Research Progress on 3D Printed Graphene Materials Synthesis Technology and Its Application in Energy Storage Field

    Directory of Open Access Journals (Sweden)

    WANG Nan

    2017-12-01

    Full Text Available Graphene is an ideal material for energy storage application as its excellent mechanical and physical properties. 3D printed graphene materials will be widely applied in energy storage field for its precisely controllable structure and it is easy to realize large-scale preparation. In this paper, the progress of 3D printed graphene materials synthesis technology and its application in energy storage field were reviewed. The viscosity and printability of graphene ink are key factors for realizing graphene 3D printing. Scalable preparation of graphene ink with facile process, controllable concentration and additive free will be the research focus of graphene 3D printing technologies in the future. The integrated printing of graphene energy storage devices such as graphene supercapacitor, lithium-sulfur battery and lithium ion battery is the development direction in this area.

  13. Synthesis of a new fluorescent materials: partially modified PVAC containing a derivative of 2-(hydroxyphenyl)benzoxazole

    Energy Technology Data Exchange (ETDEWEB)

    Maraboli, Beltran; Soto, Juan Pablo; Aristizabal, Juliet Andrea; Escalona, Cindy Luisa; Gallardo, Felipe Luis; Ahumada, Juan Carlos, E-mail: beltran.maraboli.o@mail.pucv.cl [Pontificia Universidad Catolica de Valparaiso, Campus Curauma, Valparaiso (Chile)

    2015-07-01

    A new fluorescent material is obtained from partially hydrolized polyvinyl acetate and 2- hydroxyfenilbenzoxazol derivate. The synthetic route starts by obtaining 2- (5-bromo-2-hydroxifenilbenzoxazol) -6- carboxylic acid, then the partial hydrolysis was carried out in alkaline medium using 3:1 acetone/water as solvent medium. Finally, coupling was obtained by the attachment through Steglich esterification at room temperature in dry dioxane medium. The optical properties of the combined material were examined by UV-Vis and molecular fluorescence. Benzoxazoles synthesis of derivatives used is characterized by FT-IR, {sup 1}H-NMR and {sup 13}C-NMR, for the modified PVAc polymer matrix was characterized using FT-IR, DSC and TGA, applying the same analysis for the material. (author)

  14. Synthesis and characterization of LiMgyMn2–yO4 cathode materials ...

    Indian Academy of Sciences (India)

    Unknown

    discharge studies were per- formed and the results were compared with materials prepared by a solid state thermal method. Keywords. Lithium batteries; cathode material; modified Pechini process; cubic spinel materials. 1. Introduction.

  15. Overview of thermal conductivity models of anisotropic thermal insulation materials

    Science.gov (United States)

    Skurikhin, A. V.; Kostanovsky, A. V.

    2017-11-01

    Currently, the most of existing materials and substances under elaboration are anisotropic. It makes certain difficulties in the study of heat transfer process. Thermal conductivity of the materials can be characterized by tensor of the second order. Also, the parallelism between the temperature gradient vector and the density of heat flow vector is violated in anisotropic thermal insulation materials (TIM). One of the most famous TIM is a family of integrated thermal insulation refractory material («ITIRM»). The main component ensuring its properties is the «inflated» vermiculite. Natural mineral vermiculite is ground into powder state, fired by gas burner for dehydration, and its precipitate is then compressed. The key feature of thus treated batch of vermiculite is a package structure. The properties of the material lead to a slow heating of manufactured products due to low absorption and high radiation reflection. The maximum of reflection function is referred to infrared spectral region. A review of current models of heat propagation in anisotropic thermal insulation materials is carried out, as well as analysis of their thermal and optical properties. A theoretical model, which allows to determine the heat conductivity «ITIRM», can be useful in the study of thermal characteristics such as specific heat capacity, temperature conductivity, and others. Materials as «ITIRM» can be used in the metallurgy industry, thermal energy and nuclear power-engineering.

  16. A model of engineering materials inspired by biological tissues

    Directory of Open Access Journals (Sweden)

    Holeček M.

    2009-12-01

    Full Text Available The perfect ability of living tissues to control and adapt their mechanical properties to varying external conditions may be an inspiration for designing engineering materials. An interesting example is the smooth muscle tissue since this "material" is able to change its global mechanical properties considerably by a subtle mechanism within individual muscle cells. Multi-scale continuum models may be useful in designing essentially simpler engineering materials having similar properties. As an illustration we present the model of an incompressible material whose microscopic structure is formed by flexible, soft but incompressible balls connected mutually by linear springs. This simple model, however, shows a nontrivial nonlinear behavior caused by the incompressibility of balls and is very sensitive on some microscopic parameters. It may elucidate the way by which "small" changes in biopolymer networks within individual muscular cells may control the stiffness of the biological tissue, which outlines a way of designing similar engineering materials. The 'balls and springs' material presents also prestress-induced stiffening and allows elucidating a contribution of extracellular fluids into the tissue’s viscous properties.

  17. An in silico skin absorption model for fragrance materials.

    Science.gov (United States)

    Shen, Jie; Kromidas, Lambros; Schultz, Terry; Bhatia, Sneha

    2014-12-01

    Fragrance materials are widely used in cosmetics and other consumer products. The Research Institute for Fragrance Materials (RIFM) evaluates the safety of these ingredients and skin absorption is an important parameter in refining systemic exposure. Currently, RIFM's safety assessment process assumes 100% skin absorption when experimental data are lacking. This 100% absorption default is not supportable and alternate default values were proposed. This study aims to develop and validate a practical skin absorption model (SAM) specific for fragrance material. It estimates skin absorption based on the methodology proposed by Kroes et al. SAM uses three default absorption values based on the maximum flux (J(max)) - namely, 10%, 40%, and 80%. J(max) may be calculated by using QSAR models that determine octanol/water partition coefficient (K(ow)), water solubility (S) and permeability coefficient (K(p)). Each of these QSAR models was refined and a semi-quantitative mechanistic model workflow is presented. SAM was validated with a large fragrance-focused data set containing 131 materials. All resulted in predicted values fitting the three-tiered absorption scenario based on Jmax ranges. This conservative SAM may be applied when fragrance material lack skin absorption data. Copyright © 2014 Elsevier Ltd. All rights reserved.

  18. A review of thermoelectric cooling: Materials, modeling and applications

    International Nuclear Information System (INIS)

    Zhao, Dongliang; Tan, Gang

    2014-01-01

    This study reviews the recent advances of thermoelectric materials, modeling approaches, and applications. Thermoelectric cooling systems have advantages over conventional cooling devices, including compact in size, light in weight, high reliability, no mechanical moving parts, no working fluid, being powered by direct current, and easily switching between cooling and heating modes. In this study, historical development of thermoelectric cooling has been briefly introduced first. Next, the development of thermoelectric materials has been given and the achievements in past decade have been summarized. To improve thermoelectric cooling system's performance, the modeling techniques have been described for both the thermoelement modeling and thermoelectric cooler (TEC) modeling including standard simplified energy equilibrium model, one-dimensional and three-dimensional models, and numerical compact model. Finally, the thermoelectric cooling applications have been reviewed in aspects of domestic refrigeration, electronic cooling, scientific application, and automobile air conditioning and seat temperature control, with summaries for the commercially available thermoelectric modules and thermoelectric refrigerators. It is expected that this study will be beneficial to thermoelectric cooling system design, simulation, and analysis. - Highlights: •Thermoelectric cooling has great prospects with thermoelectric material's advances. •Modeling techniques for both thermoelement and TEC have been reviewed. •Principle thermoelectric cooling applications have been reviewed and summarized

  19. Comparison between leached metakaolin and leached diatomaceous earth as raw materials for the synthesis of ZSM-5.

    Science.gov (United States)

    Aguilar-Mamani, Wilson; García, Gustavo; Hedlund, Jonas; Mouzon, Johanne

    2014-01-01

    Inexpensive raw materials have been used to prepare ZSM-5 zeolites with SiO2/Al2O3 molar ratios in the range 20 - 40. Kaolin or Bolivian diatomaceous earth was used as aluminosilicate raw materials and sodium hydroxide and n-butylamine were used as mineralizing agents and template. Dealumination of the raw materials by acid leaching made it possible to reach appropriate SiO2/Al2O3 ratios and to reduce the amount of iron and other impurities. After mixing the components and aging, hydrothermal treatment was carried out and the products were recovered The results clearly show for the first time that well-crystallized ZSM-5 can be directly prepared from leached metakaolin or leached diatomaceous earth using sodium hydroxide and n-butylamine as mineralizing agents and template under appropriate synthesis conditions. A longer induction time prior to crystallization was observed for reaction mixtures prepared from leached diatomaceous earth, probably due to slower digestion of the fossilized diatom skeletons as compared with that for microporous leached metakaolin. The use of leached diatomaceous earth allowed higher yield of ZSM-5 crystals within comparable synthesis times. However, low amounts of Mordenite formed, which was related to the high calcium content of diatomaceous earth. Another considerable advantage of diatomaceous earth over kaolin is that diatomaceous earth does not require heat treatment at high temperature for metakaolinization.

  20. A material optimization model to approximate energy bounds for cellular materials under multiload conditions

    DEFF Research Database (Denmark)

    Guedes, J.M.; Rodrigues, H.C.; Bendsøe, Martin P.

    2003-01-01

    This paper describes a computational model, based on inverse homogenization and topology design, for approximating energy bounds for two-phase composites under multiple load cases. The approach allows for the identification of possible single-scale cellular materials that give rise to the optimal...

  1. Finite-Element Model-Based Design Synthesis of Axial Flux PMBLDC Motors

    DEFF Research Database (Denmark)

    Fasil, Muhammed; Mijatovic, Nenad; Jensen, Bogi Bech

    2016-01-01

    This paper discusses design synthesis of a permanent magnet brushless DC (PMBLDC) machine using a finite element (FE) model. This work differentiates itself from the past studies by following a synthesis approach, in which many designs that satisfy performance criteria are considered instead...... of a unique solution. The designer can later select a design, based on comparing parameters of the designs, which are critical to the application that the motor will be used. The presented approach makes it easier to define constraints for a design synthesis problem. A detailed description of the setting up...... is demonstrated by designing a segmented axial torus PMBLDC motor for an electric two-wheeler....

  2. Computational method and system for modeling, analyzing, and optimizing DNA amplification and synthesis

    Science.gov (United States)

    Vandersall, Jennifer A.; Gardner, Shea N.; Clague, David S.

    2010-05-04

    A computational method and computer-based system of modeling DNA synthesis for the design and interpretation of PCR amplification, parallel DNA synthesis, and microarray chip analysis. The method and system include modules that address the bioinformatics, kinetics, and thermodynamics of DNA amplification and synthesis. Specifically, the steps of DNA selection, as well as the kinetics and thermodynamics of DNA hybridization and extensions, are addressed, which enable the optimization of the processing and the prediction of the products as a function of DNA sequence, mixing protocol, time, temperature and concentration of species.

  3. Thermo-hydro-mechanical modelling of buffer, synthesis report

    International Nuclear Information System (INIS)

    Toprak, E.; Mokni, N.; Olivella, S.; Pintado, X.

    2013-08-01

    This study addresses analyses of coupled thermo-hydro-mechanical (THM) processes in a scheme considered for the spent nuclear fuel repository in Olkiluoto (Finland). The finite element code CODE B RIGHT is used to perform modelling calculations. The objective of the THM modelling was to study some fundamental design parameters. The time required to reach full saturation, the maximum temperature reached in the canister, the deformations in the buffer-backfill interface, the stress-deformation balance between the buffer and the backfill, the swelling pressure developed and the homogenization process development are critical variables. Because of the complexity of the THM processes developed, only a single deposition hole has been modelled with realistic boundary conditions which take into account the entire repository. A thermal calculation has been performed to adopt appropriate boundary conditions for a reduced domain. The modelling has been done under axisymmetric conditions. As a material model for the buffer bentonite and backfill soil, the Barcelona Basic Model (BBM) has been used. Simulation of laboratory tests conducted at B and Tech under supervision of Posiva has been carried out in order to determine the fundamental mechanical parameters for modelling the behaviour of MX-80 bentonite using the BBM model. The modelling process of the buffer-backfill interface is an essential part of tunnel backfill design. The calculations will aim to determine deformations in this intersection, the behaviour of which is important for the buffer swelling. The homogenization process is a key issue as well. Porosity evolution during the saturation process is evaluated in order to check if the final saturated density accomplishes the homogenization requirements. This report also describes the effect of the existence of an air-filled gap located between the canister and the bentonite block rings in thermo-hydro-mechanical behaviour of the future spent nuclear fuel repository in

  4. Compact Layers of Hybrid Halide Perovskites Fabricated via the Aerosol Deposition Process—Uncoupling Material Synthesis and Layer Formation

    Directory of Open Access Journals (Sweden)

    Fabian Panzer

    2016-04-01

    Full Text Available We present the successful fabrication of CH3NH3PbI3 perovskite layers by the aerosol deposition method (ADM. The layers show high structural purity and compactness, thus making them suitable for application in perovskite-based optoelectronic devices. By using the aerosol deposition method we are able to decouple material synthesis from layer processing. Our results therefore allow for enhanced and easy control over the fabrication of perovskite-based devices, further paving the way for their commercialization.

  5. Thermodynamical aspects of modeling the mechanical response of granular materials

    International Nuclear Information System (INIS)

    Elata, D.

    1995-01-01

    In many applications in rock physics, the material is treated as a continuum. By supplementing the related conservation laws with constitutive equations such as stress-strain relations, a well-posed problem can be formulated and solved. The stress-strain relations may be based on a combination of experimental data and a phenomenological or micromechanical model. If the model is physically sound and its parameters have a physical meaning, it can serve to predict the stress response of the material to unmeasured deformations, predict the stress response of other materials, and perhaps predict other categories of the mechanical response such as failure, permeability, and conductivity. However, it is essential that the model be consistent with all conservation laws and consistent with the second law of thermodynamics. Specifically, some models of the mechanical response of granular materials proposed in literature, are based on intergranular contact force-displacement laws that violate the second law of thermodynamics by permitting energy generation at no cost. This diminishes the usefulness of these models as it invalidates their predictive capabilities. [This work was performed under the auspices of the U.S. DOE by Lawrence Livermore National Laboratory under Contract No. W-7405-ENG-48.

  6. Mechanoelectrically Activated Synthesis of Dense, Bulk Nanostructured, Complex Crystalline and Glassy Hard Materials

    Science.gov (United States)

    2005-04-01

    the loose powder. In the presence of Si 3N4 as a reactant, it was feasible to synthesize solid solutions at an ambient pressure (0.1 MPa), The...Facultad de Quimica , Universidad Autonoma de Queretaro, Queretaro, Mexico, May 7, 2002. (Invited Seminar) "* Recent Advances in the Synthesis and

  7. Atomic Force Microscopy of Novel Zeolitic Materials Prepared by Top-Down Synthesis and ADOR Mechanism

    Czech Academy of Sciences Publication Activity Database

    Smith, R. L.; Eliášová, Pavla; Mazur, Michal; Attfield, M. P.; Čejka, Jiří; Anderson, M. W.

    Roč. 20, č. 33 ( 2014 ), s. 10446-10450 ISSN 0947-6539 R&D Projects: GA ČR GBP106/12/G015 Institutional support: RVO:61388955 Keywords : assembly * atomic force microscopy * top-down synthesis Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.731, year: 2014

  8. Explicit Pore Pressure Material Model in Carbon-Cloth Phenolic

    Science.gov (United States)

    Gutierrez-Lemini, Danton; Ehle, Curt

    2003-01-01

    An explicit material model that uses predicted pressure in the pores of a carbon-cloth phenolic (CCP) composite has been developed. This model is intended to be used within a finite-element model to predict phenomena specific to CCP components of solid-fuel-rocket nozzles subjected to high operating temperatures and to mechanical stresses that can be great enough to cause structural failures. Phenomena that can be predicted with the help of this model include failures of specimens in restrained-thermal-growth (RTG) tests, pocketing erosion, and ply lifting

  9. Additive mathematical model of materials aeration classification in separators

    Directory of Open Access Journals (Sweden)

    V. Ya. Potapov

    2017-09-01

    Full Text Available The article is devoted to confirmation of a mechanism of aeration classification in drum-shelf friction separators of materials, the components of which are distinguished by a wide range of “sailage” in order to increase the separators efficiency and the quality of finished products in technology of components separation of ore and non-ore materials. Using aerodynamics of bodies of arbitrary shape in a directed air flow, a mathematical model is obtained of aeration classification of particles of material components, depending on their physical properties, unified by an integral criterion of “sailage”, and controlled airflow parameters with separate accounting of influence of particles velocity and flow. Equations are obtained for calculation of geometric parameters of a unit of aeration classification friction drum – shelf separator depending on integral criterion of “sailage” determined by shape, size, density of initial raw material and air viscosity providing for maximum quality of stratification of the feedstock and, as a result, increasing the production efficiency and the quality of the separated material. The efficiency of aeration classification with the use of a controlled air flow is confirmed, as well as sufficient convergence of experimental and calculated data. The additive mathematical model has confirmed the high efficiency of application of aeration classification in drum-type friction separators to improve the quality of stratification with reference to initial raw materials, components of which differ in a wide range of “sailage”.

  10. Energy based model for temperature dependent behavior of ferromagnetic materials

    International Nuclear Information System (INIS)

    Sah, Sanjay; Atulasimha, Jayasimha

    2017-01-01

    An energy based model for temperature dependent anhysteretic magnetization curves of ferromagnetic materials is proposed and benchmarked against experimental data. This is based on the calculation of macroscopic magnetic properties by performing an energy weighted average over all possible orientations of the magnetization vector. Most prior approaches that employ this method are unable to independently account for the effect of both inhomogeneity and temperature in performing the averaging necessary to model experimental data. Here we propose a way to account for both effects simultaneously and benchmark the model against experimental data from ~5 K to ~300 K for two different materials in both annealed (fewer inhomogeneities) and deformed (more inhomogeneities) samples. This demonstrates that this framework is well suited to simulate temperature dependent experimental magnetic behavior. - Highlights: • Energy based model for temperature dependent ferromagnetic behavior. • Simultaneously accounts for effect of temperature and inhomogeneities. • Benchmarked against experimental data from 5 K to 300 K.

  11. Modeling volatile organic compounds sorption on dry building materials using double-exponential model

    International Nuclear Information System (INIS)

    Deng, Baoqing; Ge, Di; Li, Jiajia; Guo, Yuan; Kim, Chang Nyung

    2013-01-01

    A double-exponential surface sink model for VOCs sorption on building materials is presented. Here, the diffusion of VOCs in the material is neglected and the material is viewed as a surface sink. The VOCs concentration in the air adjacent to the material surface is introduced and assumed to always maintain equilibrium with the material-phase concentration. It is assumed that the sorption can be described by mass transfer between the room air and the air adjacent to the material surface. The mass transfer coefficient is evaluated from the empirical correlation, and the equilibrium constant can be obtained by linear fitting to the experimental data. The present model is validated through experiments in small and large test chambers. The predicted results accord well with the experimental data in both the adsorption stage and desorption stage. The model avoids the ambiguity of model constants found in other surface sink models and is easy to scale up

  12. Compendium of Material Composition Data for Radiation Transport Modeling

    Energy Technology Data Exchange (ETDEWEB)

    McConn, Ronald J.; Gesh, Christopher J.; Pagh, Richard T.; Rucker, Robert A.; Williams III, Robert

    2011-03-04

    Introduction Meaningful simulations of radiation transport applications require realistic definitions of material composition and densities. When seeking that information for applications in fields such as homeland security, radiation shielding and protection, and criticality safety, researchers usually encounter a variety of materials for which elemental compositions are not readily available or densities are not defined. Publication of the Compendium of Material Composition Data for Radiation Transport Modeling, Revision 0, in 2006 was the first step toward mitigating this problem. Revision 0 of this document listed 121 materials, selected mostly from the combined personal libraries of staff at the Pacific Northwest National Laboratory (PNNL), and thus had a scope that was recognized at the time to be limited. Nevertheless, its creation did provide a well-referenced source of some unique or hard-to-define material data in a format that could be used directly in radiation transport calculations being performed at PNNL. Moreover, having a single common set of material definitions also helped to standardize at least one aspect of the various modeling efforts across the laboratory by providing separate researchers the ability to compare different model results using a common basis of materials. The authors of the 2006 compendium understood that, depending on its use and feedback, the compendium would need to be revised to correct errors or inconsistencies in the data for the original 121 materials, as well as to increase (per users suggestions) the number of materials listed. This 2010 revision of the compendium has accomplished both of those objectives. The most obvious change is the increased number of materials from 121 to 372. The not-so-obvious change is the mechanism used to produce the data listed here. The data listed in the 2006 document were compiled, evaluated, entered, and error-checked by a group of individuals essentially by hand, providing no library

  13. Parametric Hidden Markov Models for Recognition and Synthesis of Movements

    DEFF Research Database (Denmark)

    Herzog, Dennis; Krüger, Volker; Grest, Daniel

    2008-01-01

    In humanoid robotics, the recognition and synthesis of parametric movements plays an extraordinary role for robot human interaction. Such a parametric movement is a movement of a particular type (semantic), for example, similar pointing movements performed at different table-top positions. For un...

  14. Synthesis and photooxidation of furylthymines; chemiexcitation model studies

    NARCIS (Netherlands)

    Dannenberg, W.; Feringa, Bernard

    1984-01-01

    A method for the synthesis of 1-(5-methyl-2-furoyl)thymine (7) and 1-(5-methyl-2-furyl)thymine (8) is described. Trimethylsilyliodide catalysed addition of 5-methyl-2,4-bis(trimethylsilyloxy)pyrimidine (9) to 2-methyl-2,5-dihydro-2,5-dimethoxyfuran yielded the new thymine derivative 13.

  15. A Synthesis of Equilibrium and Historical Models of Landform Development.

    Science.gov (United States)

    Renwick, William H.

    1985-01-01

    The synthesis of two approaches that can be used in teaching geomorphology is described. The equilibrium approach explains landforms and landform change in terms of equilibrium between landforms and controlling processes. The historical approach draws on climatic geomorphology to describe the effects of Quaternary climatic and tectonic events on…

  16. Micromechanical modelling of quasi-brittle materials behavior

    International Nuclear Information System (INIS)

    Li, V.C.

    1992-01-01

    This special issues on Micromechanical modelling of quasi-brittle materials behavior represents an outgrowth of presentations given at a symposium of the same title held at the 1991 ASME Applied Mechanics and Biomechanics Summer Conference at the Ohio State University. The symposium was organized to promote communication between researchers in three materials groups: rock, cementitious materials, ceramics and related composites. The enthusiastic response of both speakers and attendants at the ASME symposium convinced the organizer that it would be useful to put together a coherent volume which can reach a larger audience. It was decided that the papers individually and as a volume ought to provide a broader view, so that as much as possible, the work contained in each paper would be accessible to readers working in any of the three materials groups. Applied Mechanics Reviews presents an appropriate platform for achieving these objectives

  17. Thermal shock analysis of functionally graded materials by micromechanical model

    International Nuclear Information System (INIS)

    Ueda, Sei

    2002-01-01

    The transient thermoelastic behavior of the functionally graded plate due to a thermal shock with temperature dependent properties is studied in this paper. The development of a micromechanical model for the functionally graded materials is presented and its application to thermoelastic analysis is discussed for the case of the W-Cu functionally graded material for the International Thermonuclear Experimental Reactor divertor plate. The divertor plate is made of a graded layer bonded between a homogeneous substrate and a homogeneous coating, and it is subjected to a cycle of heating and cooling on the coating surface of the material. The thermal and elastic properties of the material are dependent on the temperature and the position. Numerical calculations are carried out, and the results for the transient temperature and thermal stress distributions are displayed graphically. (author)

  18. Model Stirrer Based on a Multi-Material Turntable for Microwave Processing Materials

    Directory of Open Access Journals (Sweden)

    Jinghua Ye

    2017-01-01

    Full Text Available Microwaves have been widely used in the treatment of materials, such as heating, drying, and sterilization. However, the heating in the commonly used microwave applicators is usually uneven. In this paper, a novel multi-material turntable structure is creatively proposed to improve the temperature uniformity in microwave ovens. Three customized turntables consisting of polyethylene (PE and alumina, PE and aluminum, and alumina and aluminum are, respectively, utilized in a domestic microwave oven in simulation. During the heating process, the processed material is placed on a fixed Teflon bracket which covers the constantly rotating turntable. Experiments are conducted to measure the surface and point temperatures using an infrared thermal imaging camera and optical fibers. Simulated results are compared qualitatively with the measured ones, which verifies the simulated models. Compared with the turntables consisting of a single material, a 26%–47% increase in temperature uniformity from adapting the multi-material turntable can be observed for the microwave-processed materials.

  19. Energy materials. Advances in characterization, modelling and application

    International Nuclear Information System (INIS)

    Andersen, N.H.; Eldrup, M.; Hansen, N.; Juul Jensen, D.; Nielsen, E.M.; Nielsen, S.F.; Soerensen, B.F.; Pedersen, A.S.; Vegge, T.; West, S.S.

    2008-01-01

    Energy-related topics in the modern world and energy research programmes cover the range from basic research to applications and structural length scales from micro to macro. Materials research and development is a central part of the energy area as break-throughs in many technologies depend on a successful development and validation of new or advanced materials. The Symposium is organized by the Materials Research Department at Risoe DTU - National Laboratory for Sustainable Energy. The Department concentrates on energy problems combining basic and applied materials research with special focus on the key topics: wind, fusion, superconductors and hydrogen. The symposium is based on these key topics and focus on characterization of materials for energy applying neutron, X-ray and electron diffraction. Of special interest is research carried out at large facilities such as reactors and synchrotrons, supplemented by other experimental techniques and modelling on different length scales that underpins experiments. The Proceedings contain 15 key note presentations and 30 contributed presentations, covering the abovementioned key topics relevant for the energy materials. The contributions clearly show the importance of materials research when developing sustainable energy technologies and also that many challenges remain to be approached. (BA)

  20. MMSNF 2005. Materials models and simulations for nuclear fuels

    Energy Technology Data Exchange (ETDEWEB)

    Freyss, M.; Durinck, J.; Carlot, G.; Sabathier, C.; Martin, P.; Garcia, P.; Ripert, M.; Blanpain, P.; Lippens, M.; Schut, H.; Federov, A.V.; Bakker, K.; Osaka, M.; Miwa, S.; Sato, I.; Tanaka, K.; Kurosaki, K.; Uno, M.; Yamanaka, S.; Govers, K.; Verwerft, M.; Hou, M.; Lemehov, S.E.; Terentyev, D.; Govers, K.; Kotomin, E.A.; Ashley, N.J.; Grimes, R.W.; Van Uffelen, P.; Mastrikov, Y.; Zhukovskii, Y.; Rondinella, V.V.; Kurosaki, K.; Uno, M.; Yamanaka, S.; Minato, K.; Phillpot, S.; Watanabe, T.; Shukla, P.; Sinnott, S.; Nino, J.; Grimes, R.; Staicu, D.; Hiernaut, J.P.; Wiss, T.; Rondinella, V.V.; Ronchi, C.; Yakub, E.; Kaye, M.H.; Morrison, C.; Higgs, J.D.; Akbari, F.; Lewis, B.J.; Thompson, W.T.; Gueneau, C.; Gosse, S.; Chatain, S.; Dumas, J.C.; Sundman, B.; Dupin, N.; Konings, R.; Noel, H.; Veshchunov, M.; Dubourg, R.; Ozrin, C.V.; Veshchunov, M.S.; Welland, M.T.; Blanc, V.; Michel, B.; Ricaud, J.M.; Calabrese, R.; Vettraino, F.; Tverberg, T.; Kissane, M.; Tulenko, J.; Stan, M.; Ramirez, J.C.; Cristea, P.; Rachid, J.; Kotomin, E.; Ciriello, A.; Rondinella, V.V.; Staicu, D.; Wiss, T.; Konings, R.; Somers, J.; Killeen, J

    2006-07-01

    The MMSNF Workshop series aims at stimulating research and discussions on models and simulations of nuclear fuels and coupling the results into fuel performance codes.This edition was focused on materials science and engineering for fuel performance codes. The presentations were grouped in three technical sessions: fundamental modelling of fuel properties; integral fuel performance codes and their validation; collaborations and integration of activities. (A.L.B.)

  1. Editorial: Modelling and computational challenges in granular materials

    OpenAIRE

    Weinhart, Thomas; Thornton, Anthony Richard; Einav, Itai

    2015-01-01

    This is the editorial for the special issue on “Modelling and computational challenges in granular materials” in the journal on Computational Particle Mechanics (CPM). The issue aims to provide an opportunity for physicists, engineers, applied mathematicians and computational scientists to discuss the current progress and latest advancements in the field of advanced numerical methods and modelling of granular materials. The focus will be on computational methods, improved algorithms and the m...

  2. Computational modeling, optimization and manufacturing simulation of advanced engineering materials

    CERN Document Server

    2016-01-01

    This volume presents recent research work focused in the development of adequate theoretical and numerical formulations to describe the behavior of advanced engineering materials.  Particular emphasis is devoted to applications in the fields of biological tissues, phase changing and porous materials, polymers and to micro/nano scale modeling. Sensitivity analysis, gradient and non-gradient based optimization procedures are involved in many of the chapters, aiming at the solution of constitutive inverse problems and parameter identification. All these relevant topics are exposed by experienced international and inter institutional research teams resulting in a high level compilation. The book is a valuable research reference for scientists, senior undergraduate and graduate students, as well as for engineers acting in the area of computational material modeling.

  3. Pore-scale Modelling of Capillarity in Swelling Granular Materials

    Science.gov (United States)

    Hassanizadeh, S. M.; Sweijen, T.; Nikooee, E.; Chareyre, B.

    2015-12-01

    Capillarity in granular porous media is a common and important phenomenon in earth materials and industrial products, and therefore has been studied extensively. To model capillarity in granular porous media, one needs to go beyond current models which simulate either two-phase flow in porous media or mechanical behaviour in granular media. Current pore-scale models for two-phase flow such as pore-network models are tailored for rigid pore-skeletons, even though in many applications, namely hydro-mechanical coupling in soils, printing, and hygienic products, the porous structure does change during two-phase flow. On the other hand, models such as Discrete Element Method (DEM), which simulate the deformable porous media, have mostly been employed for dry or saturated granular media. Here, the effects of porosity change and swelling on the retention properties was studied, for swelling granular materials. A pore-unit model that was capable to construct the capillary pressure - saturation curve was coupled to DEM. Such that the capillary pressure - saturation curve could be constructed for varying porosities and amounts of absorbed water. The study material was super absorbent polymer particles, which are capable to absorb water 10's to 200 times their initial weight. We have simulated quasi-static primary imbibition for different porosities and amounts of absorbed water. The results reveal a 3 dimensional surface between capillary pressure, saturation, and porosity, which can be normalized by means of the entry pressure and the effective water saturation to a unique curve.

  4. Model, Materialism, and Immanent Utopia in Relational Aesthetics

    DEFF Research Database (Denmark)

    Degn Johansson, Troels

    ) metaphor where social reality is staged and facilitated in order to document and present its development. At the same time however, the notion of model is difficult to dissociate from Bourriaud's materialism which draws on such different figures as the late Althusser, Lucretius, and Deleuze and which...

  5. The model of mechanisms of materials resistance to fracture

    International Nuclear Information System (INIS)

    Tyugashov, P.F.

    1994-01-01

    A description is made for shear, break-up and combined fracture mechanisms. The potentiality of the model proposed is demonstrated on study of load-elongation diagram for titanium alloy type VT3-1. Comparison of calculation result to with available experimental data confirms the validity of assumptions about materials behaviour under creep conditions. 3 refs., 3 tabs

  6. Maintenance modeling and optimization integrating human and material resources

    Energy Technology Data Exchange (ETDEWEB)

    Martorell, S., E-mail: smartore@iqn.upv.e [Dpto. Ingenieria Quimica y Nuclear, Universidad Politecnica Valencia (Spain); Villamizar, M.; Carlos, S. [Dpto. Ingenieria Quimica y Nuclear, Universidad Politecnica Valencia (Spain); Sanchez, A. [Dpto. Estadistica e Investigacion Operativa Aplicadas y Calidad, Universidad Politecnica Valencia (Spain)

    2010-12-15

    Maintenance planning is a subject of concern to many industrial sectors as plant safety and business depend on it. Traditionally, the maintenance planning is formulated in terms of a multi-objective optimization (MOP) problem where reliability, availability, maintainability and cost (RAM+C) act as decision criteria and maintenance strategies (i.e. maintenance tasks intervals) act as the only decision variables. However the appropriate development of each maintenance strategy depends not only on the maintenance intervals but also on the resources (human and material) available to implement such strategies. Thus, the effect of the necessary resources on RAM+C needs to be modeled and accounted for in formulating the MOP affecting the set of objectives and constraints. In this paper RAM+C models to explicitly address the effect of human resources and material resources (spare parts) on RAM+C criteria are proposed. This extended model allows accounting for explicitly how the above decision criteria depends on the basic model parameters representing the type of strategies, maintenance intervals, durations, human resources and material resources. Finally, an application case is performed to optimize the maintenance plan of a motor-driven pump equipment considering as decision variables maintenance and test intervals and human and material resources.

  7. Maintenance modeling and optimization integrating human and material resources

    International Nuclear Information System (INIS)

    Martorell, S.; Villamizar, M.; Carlos, S.; Sanchez, A.

    2010-01-01

    Maintenance planning is a subject of concern to many industrial sectors as plant safety and business depend on it. Traditionally, the maintenance planning is formulated in terms of a multi-objective optimization (MOP) problem where reliability, availability, maintainability and cost (RAM+C) act as decision criteria and maintenance strategies (i.e. maintenance tasks intervals) act as the only decision variables. However the appropriate development of each maintenance strategy depends not only on the maintenance intervals but also on the resources (human and material) available to implement such strategies. Thus, the effect of the necessary resources on RAM+C needs to be modeled and accounted for in formulating the MOP affecting the set of objectives and constraints. In this paper RAM+C models to explicitly address the effect of human resources and material resources (spare parts) on RAM+C criteria are proposed. This extended model allows accounting for explicitly how the above decision criteria depends on the basic model parameters representing the type of strategies, maintenance intervals, durations, human resources and material resources. Finally, an application case is performed to optimize the maintenance plan of a motor-driven pump equipment considering as decision variables maintenance and test intervals and human and material resources.

  8. Classroom: Models Made from Local Materials for Teaching Plant ...

    African Journals Online (AJOL)

    In an attempt to find out if simulated teaching-learning materials could effectively fill in the gap for expensively imported science teaching-learning resources, models for teaching plant and animal cells and the solar system were made and tested. The results showed that between 13.33 -50 % of the students obtained ...

  9. Synthesis and testing of a conducting polymeric composite material for lightning strike protection applications

    Science.gov (United States)

    Katunin, A.; Krukiewicz, K.; Turczyn, R.; Sul, P.; Łasica, A.; Catalanotti, G.; Bilewicz, M.

    2017-02-01

    Lightning strike protection is one of the important issues in the modern maintenance problems of aircraft. This is due to a fact that the most of exterior elements of modern aircraft is manufactured from polymeric composites which are characterized by isolating electrical properties, and thus cannot carry the giant electrical charge when the lightning strikes. This causes serious damage of an aircraft structure and necessity of repairs and tests before returning a vehicle to operation. In order to overcome this problem, usually metallic meshes are immersed in the polymeric elements. This approach is quite effective, but increases a mass of an aircraft and significantly complicates the manufacturing process. The approach proposed by the authors is based on a mixture of conducting and dielectric polymers. Numerous modeling studies which are based on percolation clustering using kinetic Monte Carlo methods, finite element modeling of electrical and mechanical properties, and preliminary experimental studies, allow achieving an optimal content of conducting particles in a dielectric matrix in order to achieve possibly the best electrical conductivity and mechanical properties, simultaneously. After manufacturing the samples with optimal content of a conducting polymer, mechanical and electrical characterization as well as high-voltage testing was performed. The application of such a material simplifies manufacturing process and ensures unique properties of aircraft structures, which allows for minimizing damage after lightning strike, as well as provide electrical bounding and grounding, interference shielding, etc. The proposed solution can minimize costs of repair, testing and certification of aircraft structures damaged by lightning strikes.

  10. A model for acoustic absorbent materials derived from coconut fiber

    Directory of Open Access Journals (Sweden)

    Ramis, J.

    2014-03-01

    Full Text Available In the present paper, a methodology is proposed for obtaining empirical equations describing the sound absorption characteristics of an absorbing material obtained from natural fibers, specifically from coconut. The method, which was previously applied to other materials, requires performing measurements of air-flow resistivity and of acoustic impedance for samples of the material under study. The equations that govern the acoustic behavior of the material are then derived by means of a least-squares fit of the acoustic impedance and of the propagation constant. These results can be useful since they allow the empirically obtained analytical equations to be easily incorporated in prediction and simulation models of acoustic systems for noise control that incorporate the studied materials.En este trabajo se describe el proceso seguido para obtener ecuaciones empíricas del comportamiento acústico de un material absorbente obtenido a partir de fibras naturales, concretamente el coco. El procedimiento, que ha sido ensayado con éxito en otros materiales, implica la realización de medidas de impedancia y resistencia al flujo de muestras del material bajo estudio. Las ecuaciones que gobiernan el comportamiento desde el punto de vista acústico del material se obtienen a partir del ajuste de ecuaciones de comportamiento de la impedancia acústica y la constante de propagación del material. Los resultados son útiles ya que, al disponer de ecuaciones analíticas obtenidas empíricamente, facilitan la incorporación de estos materiales en predicciones mediante métodos numéricos del comportamiento cuando son instalados formando parte de dispositivos para el control del ruido.

  11. Sound Synthesis of the Harpsichord Using a Computationally Efficient Physical Model

    OpenAIRE

    Vesa Välimäki; Henri Penttinen; Mikael Laurson; Jonte Knif; Cumhur Erkut

    2004-01-01

    A sound synthesis algorithm for the harpsichord has been developed by applying the principles of digital waveguide modeling. A modification to the loss filter of the string model is introduced that allows more flexible control of decay rates of partials than is possible with a one-pole digital filter, which is a usual choice for the loss filter. A version of the commuted waveguide synthesis approach is used, where each tone is generated with a parallel combination of the string model and a s...

  12. Facile Synthesis and High performance of a New Carbazole-Based Hole Transporting Material for Hybrid Perovskite Solar Cells

    KAUST Repository

    Wang, Hong

    2015-06-26

    Perovskite solar cells are very promising for practical applications owing to their rapidly rising power conversion efficiency and low cost of solution-based processing. 2,2’,7,7’-tetrakis-(N,N-di-p-methoxyphenylamine) 9,9’-spirobifluorene (Spiro-OMeTAD) is most widely used as hole transporting material (HTM) in perovskite solar cells. However, the tedious synthesis and high cost of Spiro-OMeTAD inhibit its commercial-scale application in the photovoltaic industry. In this article, we report a carbazole-based compound (R01) as a new HTM in efficient perovskite solar cells. R01 is synthesized via a facile route consisting of only two steps from inexpensive commercially available materials. Furthermore, R01 exhibits higher hole mobility and conductivity than the state-of-the-art Spiro-OMeTAD. Perovskite solar cells fabricated with R01 produce a power conversion efficiency of 12.03%, comparable to that obtained in devices using Spiro-OMeTAD in this study. Our findings underscore R01 as a highly promising HTM with high performance, and its facile synthesis and low cost may facilitate the large-scale applications of perovskite solar cells.

  13. Molecular modeling of protein materials: case study of elastin

    Science.gov (United States)

    Tarakanova, Anna; Buehler, Markus J.

    2013-09-01

    Molecular modeling of protein materials is a quickly growing area of research that has produced numerous contributions in fields ranging from structural engineering to medicine and biology. We review here the history and methods commonly employed in molecular modeling of protein materials, emphasizing the advantages for using modeling as a complement to experimental work. We then consider a case study of the protein elastin, a critically important ‘mechanical protein’ to exemplify the approach in an area where molecular modeling has made a significant impact. We outline the progression of computational modeling studies that have considerably enhanced our understanding of this important protein which endows elasticity and recoil to the tissues it is found in, including the skin, lungs, arteries and the heart. A vast collection of literature has been directed at studying the structure and function of this protein for over half a century, the first molecular dynamics study of elastin being reported in the 1980s. We review the pivotal computational works that have considerably enhanced our fundamental understanding of elastin's atomistic structure and its extraordinary qualities—focusing on two in particular: elastin's superb elasticity and the inverse temperature transition—the remarkable ability of elastin to take on a more structured conformation at higher temperatures, suggesting its effectiveness as a biomolecular switch. Our hope is to showcase these methods as both complementary and enriching to experimental approaches that have thus far dominated the study of most protein-based materials.

  14. Testing of materials and scale models for impact limiters

    International Nuclear Information System (INIS)

    Maji, A.K.; Satpathi, D.; Schryer, H.L.

    1991-01-01

    Aluminum Honeycomb and Polyurethane foam specimens were tested to obtain experimental data on the material's behavior under different loading conditions. This paper reports the dynamic tests conducted on the materials and on the design and testing of scale models made out of these open-quotes Impact Limiters,close quotes as they are used in the design of transportation casks. Dynamic tests were conducted on a modified Charpy Impact machine with associated instrumentation, and compared with static test results. A scale model testing setup was designed and used for preliminary tests on models being used by current designers of transportation casks. The paper presents preliminary results of the program. Additional information will be available and reported at the time of presentation of the paper

  15. Multilevel model of polycrystalline materials: grain boundary sliding description

    Science.gov (United States)

    Sharifullina, E.; Shveykin, A.; Trusov, P.

    2017-12-01

    Material behavior description in a wide range of thermomechanical effects is one of the topical areas in mathematical modeling. Inclusion of grain boundary sliding as an important mechanism of polycrystalline material deformation at elevated temperatures and predominant deformation mechanism of metals and alloys in structural superplasticity allows to simulate various deformation regimes and their transitions (including superplasticity regime with switch-on and switch-off regimes). The paper is devoted to description of grain boundary sliding in structure of two-level model, based on crystal plasticity, and relations for determination the contribution of this mechanism to inelastic deformation. Some results are presented concerning computational experiments of polycrystalline representative volume deformation using developed model.

  16. Plasticity models of material variability based on uncertainty quantification techniques

    Energy Technology Data Exchange (ETDEWEB)

    Jones, Reese E. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Rizzi, Francesco [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Boyce, Brad [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Templeton, Jeremy Alan [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Ostien, Jakob [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2017-11-01

    The advent of fabrication techniques like additive manufacturing has focused attention on the considerable variability of material response due to defects and other micro-structural aspects. This variability motivates the development of an enhanced design methodology that incorporates inherent material variability to provide robust predictions of performance. In this work, we develop plasticity models capable of representing the distribution of mechanical responses observed in experiments using traditional plasticity models of the mean response and recently developed uncertainty quantification (UQ) techniques. Lastly, we demonstrate that the new method provides predictive realizations that are superior to more traditional ones, and how these UQ techniques can be used in model selection and assessing the quality of calibrated physical parameters.

  17. Synthesis of Foam-Shaped Nanoporous Zeolite Material: A Simple Template-Based Method

    Science.gov (United States)

    Saini, Vipin K.; Pires, Joao

    2012-01-01

    Nanoporous zeolite foam is an interesting crystalline material with an open-cell microcellular structure, similar to polyurethane foam (PUF). The aluminosilicate structure of this material has a large surface area, extended porosity, and mechanical strength. Owing to these properties, this material is suitable for industrial applications such as…

  18. Modeling the triaxial behavior of riverbed and blasted quarried rockfill materials using hardening soil model

    Directory of Open Access Journals (Sweden)

    N.P. Honkanadavar

    2016-06-01

    Full Text Available Riverbed modeled rockfill material from Noa Dehing dam project, Arunachal Pradesh, India and blasted quarried modeled rockfill material from Kol dam project, Himachal Pradesh, India were considered for this research. Riverbed rockfill material is rounded to sub-rounded and quarried rockfill material is angular to sub-angular in shape. Prototype rockfill materials were modeled into maximum particle size (dmax of 4.75 mm, 10 mm, 19 mm, 25 mm, 50 mm and 80 mm for testing in the laboratory. Consolidated drained triaxial tests were conducted on modeled rockfill materials with a specimen size of 381 mm in diameter and 813 mm in height to study the stress–strain–volume change behavior for both rockfill materials. Index properties, i.e. uncompacted void content (UVC and uniaxial compressive strength (UCS, were determined for both rockfill materials in association with material parameters. An elastoplastic hardening soil (HS constitutive model was used to predict the behavior of modeled rockfill materials. Comparing the predicted and observed stress–strain–volume change behavior, it is found that both observed and predicted behaviors match closely. The procedures were developed to predict the shear strength and elastic parameters of rockfill materials using the index properties, i.e. UCS, UVC and relative density (RD, and predictions were made satisfactorily. Comparing the predicted and experimentally determined shear strengths and elastic parameters, it is observed that both values match closely. Then these procedures were used to predict the elastic and shear strength parameters of large-size prototype rockfill materials. Correlations were also developed between index properties and material strength parameters (dilatancy angle, ψ, and initial void ratio, einit, required for HS model of modeled rockfill materials and the same correlations were used to predict the strength parameters for the prototype rockfill materials. Using the

  19. Energy-based ferromagnetic material model with magnetic anisotropy

    International Nuclear Information System (INIS)

    Steentjes, Simon; Henrotte, François; Hameyer, Kay

    2017-01-01

    Non-oriented soft magnetic materials are commonly assumed to be magnetically isotropic. However, due to the rolling process a preferred direction exists along the rolling direction. This uniaxial magnetic anisotropy, and the related magnetostriction effect, are critical to the accurate calculation of iron losses and magnetic forces in rotating electrical machines. This paper proposes an extension of an isotropic energy-based vector hysteresis model to account for these two effects. - Highlights: • Energy-based vector hysteresis model with magnetic anisotropy. • Two-scale model to account for pinning field distribution. • Pinning force and reluctivity are extended to anisotropic case.

  20. Modeling Permanent Deformations of Superelastic and Shape Memory Materials.

    Science.gov (United States)

    Urbano, Marco Fabrizio; Auricchio, Ferdinando

    2015-06-11

    In this paper we propose a modification of the polycrystalline shape memory alloy constitutive model originally proposed by Souza. By introducing a transformation strain energy with two different hardening coefficients, we are able to take into account the effect of the martensitic transformation of unfavorably oriented grains occurring after the main plateau. By choosing a proper second hardening coefficient, it is possible to reproduce the correct stress strain behavior of the material after the plateau without the need of introducing a much smaller Young modulus for martensite. The proposed modification is introduced in the model comprising permanent deformation effects. Model results for uniaxial stress tests are compared to experimental results showing good agreement.