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Sample records for functionally gradient material

  1. Continuous spray forming of functionally gradient materials

    International Nuclear Information System (INIS)

    McKechnie, T.N.; Richardson, E.H.

    1995-01-01

    Researchers at Plasma Processes Inc. have produced a Functional Gradient Material (FGM) through advanced vacuum plasma spray processing for high heat flux applications. Outlined in this paper are the manufacturing methods used to develop a four component functional gradient material of copper, tungsten, boron, and boron nitride. The FGM was formed with continuous gradients and integral cooling channels eliminating bondlines and providing direct heat transfer from the high temperature exposed surface to a cooling medium. Metallurgical and x-ray diffraction analyses of the materials formed through innovative VPS (vacuum plasma spray) processing are also presented. Applications for this functional gradient structural material range from fusion reactor plasma facing components to missile nose cones to boilers

  2. A Review on Functionally Gradient Materials (FGMs) and Their Applications

    Science.gov (United States)

    Bhavar, Valmik; Kattire, Prakash; Thakare, Sandeep; patil, Sachin; Singh, RKP, Dr.

    2017-09-01

    Functionally gradient materials (FGM) are innovative materials in which final properties varies gradually with dimensions. It is the recent development in traditional composite materials which retains their strengths and eliminates their weaknesses. It can be formed by varying chemical composition, microstructure or design attributes from one end to other as per requirement. This feature allows FGM to have best material properties in required quantities only where it is needed. Though there are several methods available for manufacturing FGMs, additive based metal deposition (by laser, electron beam, plasma etc.) technologies are reaping particular interest owing to their recent developments. This paper presents evolution, current status and challenges of functionally gradient materials (FGMs). Various manufacturing processes of different types of FGMs are also presented. In addition, applications of FGMs in various fields including aerospace, defence, mining, power and tools manufacturing sectors are discussed in detail.

  3. Optimum material gradient composition for the functionally graded ...

    African Journals Online (AJOL)

    This study investigates the relation between the material gradient properties and the optimum sensing/actuation design of the functionally graded piezoelectric beams. Three-dimensional (3D) finite element analysis has been employed for the prediction of an optimum composition profile in these types of sensors and ...

  4. Electroceramic functional gradient materials. Final report 1995 - 1998

    Energy Technology Data Exchange (ETDEWEB)

    Toft Soerensen, O. [ed.

    1999-10-01

    In this programme the research and development is focused on electroceramic materials, which are of direct interest for the Danish producers of electronic components (AMP Danmark) and ceramic gas sensors (PBI-Dansensor) as well as companies involved in development of fuel cells (Haldor Topsoee). The R and D work has been focused on strategic materials research, both application oriented and more basic research, and on development of new techniques for fabrication of EFGM (Electroceramic Functional Gradient Materials) of three types: LC circuit materials (electronic noise filters), oxides for electrochemical reactors and solid oxide fuel cell applications (SOFC) and materials (semiconductors, oxygen ion conductors) for oxygen sensors. This work has been carried out in five projects: 1) Integrated filter components; 2) Electrochemical reactor materials; 3) Oxygen sensors based on semiconductors and oxygen ion conductors; 4) Interface models - synthesis and characterisation; 5) Suppression of cracking in multilayered ceramic materials. (EHS)

  5. Optimum material gradient composition for the functionally graded ...

    African Journals Online (AJOL)

    user

    To this end, various static tests for functionally graded ... different poling directions, high stress concentrations are usually appeared at the layer interfaces under ...... Use of classical plate finite elements for the analysis of electroactive ...

  6. Finite Element Analysis of Multilayered and Functionally Gradient Tribological Coatings With Measured Material Properties (Preprint)

    National Research Council Canada - National Science Library

    Kang, Young S; Sharma, Shashi K; Sanders, Jeffrey H; Voevodin, Andrey A

    2006-01-01

    ...) gradient coatings with diamond like carbon (DLC) coating on 440C stainless steel substrate were assumed as a series of perfectly bonded layers with unique material properties and layer thickness...

  7. Finite Element Analysis of Multilayered and Functionally Gradient Tribological Coatings With Measured Material Properties (Preprint)

    Science.gov (United States)

    2006-11-01

    gradient coatings with diamond like carbon (DLC) coating on 440C stainless steel substrate were assumed as a series of perfectly bonded layers with...resistance and low friction. Ti1-xCx (0≤ x ≤1) gradient coatings with diamond like carbon (DLC) coating on 440C stainless steel substrate were...indenter tip was used for the FEA model. Each coating sample consists of 1 μm thick coating and 440C stainless steel substrate. The area function for

  8. Multilayer and functionally gradient films of plasma polymers intended as compatible interlayers for hybrid materials

    Czech Academy of Sciences Publication Activity Database

    Hoferek, L.; Mistřík, J.; Trivedi, R.; Chen, K. S.; Peřina, Vratislav; Čech, V.

    2014-01-01

    Roč. 254, SEP (2014), s. 49-53 ISSN 0257-8972 R&D Projects: GA MŠk(XE) LM2011019 Institutional support: RVO:61389005 Keywords : multilayer * Gradient film * Plasma polymerization * ellipsometry * nanoindentation Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.998, year: 2014

  9. High energy X-ray diffraction study of a dental ceramics–titanium functional gradient material prepared by field assisted sintering technique

    International Nuclear Information System (INIS)

    Witte, K.; Bodnar, W.; Schell, N.; Lang, H.; Burkel, E.

    2014-01-01

    A functional gradient material with eleven layers composed of a dental ceramics and titanium was successfully consolidated using field assisted sintering technique in a two-step sintering process. High energy X-ray diffraction studies on the gradient were performed at High Energy Material Science beamline at Desy in Hamburg. Phase composition, crystal unit edges and lattice mismatch along the gradient were determined applying Rietveld refinement procedure. Phase analysis revealed that the main crystalline phase present in the gradient is α-Ti. Crystallinity increases stepwisely along the gradient with a decreasing increment between every next layer, following rather the weight fraction of titanium. The crystal unit edge a of titanium remains approximately constant with a value of 2.9686(1) Å, while c is reduced with increasing amount of titanium. In the layer with pure titanium the crystal unit edge c is constant with a value of 4.7174(2) Å. The lattice mismatch leading to an internal stress was calculated over the whole gradient. It was found that the maximal internal stress in titanium embedded in the studied gradient is significantly smaller than its yield strength, which implies that the structure of titanium along the whole gradient is mechanically stable. - Highlights: • High energy XRD studies of dental ceramics–Ti gradient material consolidated by FAST. • Phase composition, crystallinity and lattice parameters are determined. • Crystallinity increases stepwisely along the gradient following weight fraction of Ti. • Lattice mismatch leading to internal stress is calculated over the whole gradient. • Internal stress in α-Ti embedded in the gradient is smaller than its yield strength

  10. Fracture of functionally graded materials: application to hydrided zircaloy; Fissuration des materiaux a gradient de proprietes: application au zircaloy hydrure

    Energy Technology Data Exchange (ETDEWEB)

    Perales, F

    2005-12-15

    This thesis is devoted to the dynamic fracture of functionally graded materials. More particularly, it deals with the toughness of nuclear cladding at high burnup submitted to transient loading. The fracture is studied at local scale using cohesive zone model in a multi body approach. Cohesive zone models include frictional contact to take into account mixed mode fracture. Non smooth dynamics problems are treated within the Non-Smooth Contact Dynamics framework. A multi scale study is necessary because of the dimension of the clad. At microscopic scale, the effective properties of surface law, between each body, are obtained by periodic numerical homogenization. A two fields Finite Element formulation is so written. An extended formulation of the NSCD framework is obtained. The associated software allows to simulate, in finite deformation, from the crack initiation to post-fracture behavior in heterogeneous materials. At microscopic scale, random RVE calculations are made to determine effective properties. At macroscopic scale, calculations of part of clad are made to determine the role of the mean hydrogen concentration and gradient of hydrogen parameters in the toughness of the clad under dynamic loading. (author)

  11. Effect of gradient dielectric coefficient in a functionally graded material (FGM) substrate on the propagation behavior of love waves in an FGM-piezoelectric layered structure.

    Science.gov (United States)

    Cao, Xiaoshan; Shi, Junping; Jin, Feng

    2012-06-01

    The propagation behavior of Love waves in a layered structure that includes a functionally graded material (FGM) substrate carrying a piezoelectric thin film is investigated. Analytical solutions are obtained for both constant and gradient dielectric coefficients in the FGM substrate. Numerical results show that the gradient dielectric coefficient decreases phase velocity in any mode, and the electromechanical coupling factor significantly increases in the first- and secondorder modes. In some modes, the difference in Love waves' phase velocity between these two types of structure might be more than 1%, resulting in significant differences in frequency of the surface acoustic wave devices.

  12. Instabilities in power law gradient hardening materials

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof; Tvergaard, Viggo

    2005-01-01

    Tension and compression instabilities are investigated for specimens with dimensions in the micron range. A finite strain generalization of a higher order strain gradient plasticity theory is implemented in a finite element scheme capable of modeling power law hardening materials. Effects...... of gradient hardening are found to delay the onset of localization under plane strain tension, and significantly reduce strain gradients in the localized zone. For plane strain compression gradient hardening is found to increase the load-carrying capacity significantly....

  13. Joining of Tungsten Armor Using Functional Gradients

    International Nuclear Information System (INIS)

    John Scott O'Dell

    2006-01-01

    The joining of low thermal expansion armor materials such as tungsten to high thermal expansion heat sink materials has been a major problem in plasma facing component (PFC) development. Conventional planar bonding techniques have been unable to withstand the high thermal induced stresses resulting from fabrication and high heat flux testing. During this investigation, innovative functional gradient joints produced using vacuum plasma spray forming techniques have been developed for joining tungsten armor to copper alloy heat sinks. A model was developed to select the optimum gradient architecture. Based on the modeling effort, a 2mm copper rich gradient was selected. Vacuum plasma pray parameters and procedures were then developed to produce the functional gradient joint. Using these techniques, dual cooling channel, medium scale mockups (32mm wide x 400mm length) were produced with vacuum plasma spray formed tungsten armor. The thickness of the tungsten armor was up to 5mm thick. No evidence of debonding at the interface between the heat sink and the vacuum plasma sprayed material was observed.

  14. The influence of ALN-Al gradient material gradient index on ballistic performance

    International Nuclear Information System (INIS)

    Wang Youcong; Liu Qiwen; Li Yao; Shen Qiang

    2013-01-01

    Ballistic performance of the gradient material is superior to laminated material, and gradient materials have different gradient types. Using ls-dyna to simulate the ballistic performance of ALN-AL gradient target plates which contain three gradient index (b = 1, b = 0.5, b = 2). Through Hopkinson bar numerical simulation to the target plate materials, we obtained the reflection stress wave and transmission stress wave state of gradient material to get the best gradient index. The internal stress state of gradient material is simulated by amplification processing of the target plate model. When the gradient index b is equal to 1, the gradient target plate is best of all.

  15. Functional materials

    International Nuclear Information System (INIS)

    Park, J. Y.; Hong, G. W.; Lee, H. J.

    2002-05-01

    Development of fabrication process of functional ceramic materials, evaluation of characteristics and experiments for understanding of irradiation behavior of ceramics were carried out for application of ceramics to the nuclear industry. The developed processes were the SiC surface coating technology with large area for improvement of wear resistance and corrosion resistance, the fabrication technology of SiC composites for excellent irradiation resistance, performance improvement technology of SiC fiber and nano-sized powder processing by combustion ignition and spray. Typical results were CVD SiC coating with diameter of 25cm and thickness of 100μm, highly dense SiC composite by F-CVI, heat-treating technology of SiC fiber using B4C power, and nano-sized powders of ODS-Cu, Li-based breeding materials, Ni-based metal powders with primary particle diameter of 20∼50nm. Furthermore, test equipment, data productions and damage evaluations were performed to understand corrosion resistance and wear resistance of alumina, silicon carbide and silicon nitride under PWR or PHWR operation conditions. Experimental procedures and basic technologies for evaluation of irradiation behavior were also established. Additionally, highly reactive precursor powders were developed by various technologies and the powders were applied to the fabrication of 100 m long Ag/Bi-2223 multi-filamentary wires. High Tc magnets and fly wheel for energy storage were developed, as well

  16. W-Cu gradient materials - processing, properties and application possibilities

    International Nuclear Information System (INIS)

    Joensson, M.; Kieback, B.

    2001-01-01

    The functionally graded material (FGM) of tungsten with its high thermal and mechanical resistance and copper with its very high thermal and electrical conductivity and ductility expands the application fields of this material in the direction of extreme demands such as plasma facing components in fusion reactors. The PM-production of W-Cu-gradients recommends itself because of the possibility to form the gradient by the mixing of powder components, but is also demanding because of the differences in their sintering behavior and thermal expansions. W-Gu-gradient samples of different concentration profiles have been formed in layers by powder stacking in a die and continuously by centrifugal powder forming. The consolidation routes were determined by the concentration areas of the gradients and encompass liquid phase sintering, pressure assisted solid phase sintering and the application of coated Tungsten powder and sintering additives. The microstructure and the concentration profiles of the samples have been investigated metaliographically and by EDX. The influence of processing and the gradient profile of the properties have been characterized by TRS and the investigation of residual thermal stresses by neutron diffraction. (author)

  17. Be-Cu gradient materials through controlled segregation. Basic investigations

    Energy Technology Data Exchange (ETDEWEB)

    Muecklich, F.; Lorinser, M.; Hartmann, S.; Beinstingel, S. [Saarland Univ., Saarbruecken (Germany); Linke, J.; Roedig, M.

    1998-01-01

    The joining of materials has a fundamental problematic nature: Creating a sharp interface between two different materials causes a more or less extreme jump in the properties at this point. This may result in the failure of the component under mechanical or thermal loads. In some cases there are further difficulties caused by using a third component (e.g. the transformation of Ag-lead into Cd by neutron beams). The solution may be the creating of a functionally gradient material (FGM) Be-Cu. We discuss the advantage of such a FGM and the probabilities of an new procedure for manufacturing 1-dimensional FGMs. (author)

  18. Gradient effects on the fracture of inhomogeneous materials

    Energy Technology Data Exchange (ETDEWEB)

    Becker, Terrence Lee [Univ. of California, Berkeley, CA (United States)

    2000-05-01

    Functionally Graded Materials (FGMs) have a spatial variation in physical properties that can be tailored to meet the needs of a specific application and/or to minimize internal stresses arising from thermal and elastic mismatch. Modeling these materials as inhomogeneous continua allows assessment of the role of the gradient without requiring detailed knowledge of the microstructure. Motivated by the relative difficulty of obtaining analytical solutions to boundary value problems for FGMs, an accurate finite-element code is developed for obtaining numerical planar and axisymmetric linear thermoelastic solutions. In addition an approximate analytical technique for mapping homogeneous-modulus solutions to those for FGMs is assessed and classes of problems to which it applies accurately are identified. The fracture mechanics analysis of FGMs can be characterized by the classic stress intensities, KI and KII, but there has been scarce progress in understanding the role of the modulus gradient in determining fracture initiation and propagation. To address this question, a statistical fracture model is used to correlate near-tip stresses with brittle fracture initiation behavior. This describes the behavior of a material experiencing fracture initiation away from the crack tip. Widely dispersed zones of fracture initiation sites are expected. Finite-length kinks are analyzed to describe the crack path for continuous crack growth. For kink lengths much shorter than the gradient dimension, a parallel stress term describes the deviation of the kinking angle from that for homogeneous materials. For longer kinks there is a divergence of the kink angle predicted by the maximum energy release rate and the pure opening mode criteria.

  19. Mullite-alumina functionally gradient ceramics

    International Nuclear Information System (INIS)

    Pena, P.; Bartolome, J.; Requena, J.; Moya, J.S.

    1993-01-01

    Cracks free mullite-alumina Functionally Gradient Ceramics (FGC) have been obtained by sequential slip casting of Mullite-alumina slurries with different mullite/alumina ratios. These slurries were prepared with 65 % solids content and viscosities ranging from 10 to 40 mPa.s. The presence of cracks perpendicular to the FGC layers have been attributed to residual stresses developed because of the mismatch in thermal expansion between layers. The microstructure of the different layers, and de residual stress value σ R in each layer was also determined. (orig.)

  20. Gradient Material Strategies for Hydrogel Optimization in Tissue Engineering Applications

    Science.gov (United States)

    2018-01-01

    Although a number of combinatorial/high-throughput approaches have been developed for biomaterial hydrogel optimization, a gradient sample approach is particularly well suited to identify hydrogel property thresholds that alter cellular behavior in response to interacting with the hydrogel due to reduced variation in material preparation and the ability to screen biological response over a range instead of discrete samples each containing only one condition. This review highlights recent work on cell–hydrogel interactions using a gradient material sample approach. Fabrication strategies for composition, material and mechanical property, and bioactive signaling gradient hydrogels that can be used to examine cell–hydrogel interactions will be discussed. The effects of gradients in hydrogel samples on cellular adhesion, migration, proliferation, and differentiation will then be examined, providing an assessment of the current state of the field and the potential of wider use of the gradient sample approach to accelerate our understanding of matrices on cellular behavior. PMID:29485612

  1. Fracture of anisotropic materials with plastic strain-gradient effects

    DEFF Research Database (Denmark)

    Legarth, Brian Nyvang

    2013-01-01

    A unit cell is adopted to numerically analyze the effect of plastic anisotropy on frac-ture evolution in a micro-reinforced fiber-composite. The matrix material exhibit size-effects and an anisotropic strain-gradient plasticity model accounting for such size-effects through a mate-rial length scale...

  2. Smart hydrogel functional materials

    CERN Document Server

    Chu, Liang-Yin; Ju, Xiao-Jie

    2014-01-01

    This book systematically introduces smart hydrogel functional materials with the configurations ranging from hydrogels to microgels. It serves as an excellent reference for designing and fabricating artificial smart hydrogel functional materials.

  3. Debonding analyses in anisotropic materials with strain- gradient effects

    DEFF Research Database (Denmark)

    Legarth, Brian Nyvang

    2012-01-01

    A unit cell approach is adopted to numerically analyze the effect of plastic anisotropy on damage evolution in a micro-reinforced composite. The matrix material exhibit size effects and a visco-plastic anisotropic strain gradient plasticity model accounting for such size effects is adopted....... A conventional cohesive law is extended such that both the average as well as the jump in plastic strain across the fiber-matrix interface are accounted for. Results are shown for both conventional isotropic and anisotropic materials as well as for higher order isotropic and anisotropic materials...... with and without debonding. Generally, the strain gradient enhanced material exhibits higher load carry capacity compared to the corresponding conventional material. A sudden stress drop occurs in the macroscopic stress-strain response curve due to fiber-matrix debonding and the results show that a change in yield...

  4. Physically Functional Materials

    DEFF Research Database (Denmark)

    2002-01-01

    acids or peptides having azobenzenes or other physicially functional groups, e.g., photoresponsive groups, as side chains. These compounds may be synthesized using solid phase peptide synthesis techniques. Materials, e.g., thin films, comprising such compounds may be used for optical storage...... of information (holographic data storage), nonlinear optics (NLO), as photoconductors, photonic band-gap materials, electrically conducting materials, electroluminescent materials, piezo-electric materials, pyroelectric materials, magnetic materials, ferromagnetic materials, ferroelectric materials......, photorefractive materials, or materials in which light-induced conformational changes can be produced. Optical anisotropy may reversibly be generated with polarized laser light whereby a hologram is formed. First order diffraction efficiencies of up to around 80% have been obtained....

  5. Functionally graded materials

    CERN Document Server

    Mahamood, Rasheedat Modupe

    2017-01-01

    This book presents the concept of functionally graded materials as well as their use and different fabrication processes. The authors describe the use of additive manufacturing technology for the production of very complex parts directly from the three dimension computer aided design of the part by adding material layer after layer. A case study is also presented in the book on the experimental analysis of functionally graded material using laser metal deposition process.

  6. Process design of press hardening with gradient material property influence

    International Nuclear Information System (INIS)

    Neugebauer, R.; Schieck, F.; Rautenstrauch, A.

    2011-01-01

    Press hardening is currently used in the production of automotive structures that require very high strength and controlled deformation during crash tests. Press hardening can achieve significant reductions of sheet thickness at constant strength and is therefore a promising technology for the production of lightweight and energy-efficient automobiles. The manganese-boron steel 22MnB5 have been implemented in sheet press hardening owing to their excellent hot formability, high hardenability, and good temperability even at low cooling rates. However, press-hardened components have shown poor ductility and cracking at relatively small strains. A possible solution to this problem is a selective increase of steel sheet ductility by press hardening process design in areas where the component is required to deform plastically during crash tests. To this end, process designers require information about microstructure and mechanical properties as a function of the wide spectrum of cooling rates and sequences and austenitizing treatment conditions that can be encountered in production environments. In the present work, a Continuous Cooling Transformation (CCT) diagram with corresponding material properties of sheet steel 22MnB5 was determined for a wide spectrum of cooling rates. Heating and cooling programs were conducted in a quenching dilatometer. Motivated by the importance of residual elasticity in crash test performance, this property was measured using a micro-bending test and the results were integrated into the CCT diagrams to complement the hardness testing results. This information is essential for the process design of press hardening of sheet components with gradient material properties.

  7. Ability of multiaxial fatigue criteria accounting for stress gradient effect for surface defective material

    Directory of Open Access Journals (Sweden)

    Niamchaona Wichian

    2018-01-01

    Full Text Available New high strength steels are widely used nowadays in many industrial areas as in automotive industry. These steels are more resistant and provide higher fatigue limits than latter ones but they are also more sensible to small defects. Natural defects that outcome from metallurgy (as shrinkage, inclusion, void are not considered in this study. We focus on small manufacturing defects such as cutting edge defects generated by punching or other surface defects due to stamping. These defects are harmful on the material fatigue behaviour due to high stress concentration at defects root. They also generate stress gradient that is beneficial from the fatigue strength point of view. This study focusses on the stress gradient (it does not account for the size effect from cylindrical defect on specimen edge. Practically a normal stress gradient is added in multiaxial fatigue criteria formulation. Both critical plane approach and integral approach are involved in the present study. This gradient is calculated from stress states at defects root by using FEM. Criteria fatigue function at N cycles is used to assess the material fatigue strength. Obviously multiaxial fatigue criteria accounting for stress gradient give more precise fatigue functions than criteria that do not consider the gradient influence.

  8. Methods for Fabricating Gradient Alloy Articles with Multi-Functional Properties

    Science.gov (United States)

    Hofmann, Douglas C. (Inventor); Borgonia, John Paul C. (Inventor); Dillon, Robert P. (Inventor); Suh, Eric J. (Inventor); Mulder, Jerry L. (Inventor); Gardner, Paul B. (Inventor)

    2015-01-01

    Systems and methods for fabricating multi-functional articles comprised of additively formed gradient materials are provided. The fabrication of multi-functional articles using the additive deposition of gradient alloys represents a paradigm shift from the traditional way that metal alloys and metal/metal alloy parts are fabricated. Since a gradient alloy that transitions from one metal to a different metal cannot be fabricated through any conventional metallurgy techniques, the technique presents many applications. Moreover, the embodiments described identify a broad range of properties and applications.

  9. Gradient waveform pre-emphasis based on the gradient system transfer function.

    Science.gov (United States)

    Stich, Manuel; Wech, Tobias; Slawig, Anne; Ringler, Ralf; Dewdney, Andrew; Greiser, Andreas; Ruyters, Gudrun; Bley, Thorsten A; Köstler, Herbert

    2018-02-25

    The gradient system transfer function (GSTF) has been used to describe the distorted k-space trajectory for image reconstruction. The purpose of this work was to use the GSTF to determine the pre-emphasis for an undistorted gradient output and intended k-space trajectory. The GSTF of the MR system was determined using only standard MR hardware without special equipment such as field probes or a field camera. The GSTF was used for trajectory prediction in image reconstruction and for a gradient waveform pre-emphasis. As test sequences, a gradient-echo sequence with phase-encoding gradient modulation and a gradient-echo sequence with a spiral read-out trajectory were implemented and subsequently applied on a structural phantom and in vivo head measurements. Image artifacts were successfully suppressed by applying the GSTF-based pre-emphasis. Equivalent results are achieved with images acquired using GSTF-based post-correction of the trajectory as a part of image reconstruction. In contrast, the pre-emphasis approach allows reconstruction using the initially intended trajectory. The artifact suppression shown for two sequences demonstrates that the GSTF can serve for a novel pre-emphasis. A pre-emphasis based on the GSTF information can be applied to any arbitrary sequence type. © 2018 International Society for Magnetic Resonance in Medicine.

  10. Generating substrate bound functional chemokine gradients in vitro

    DEFF Research Database (Denmark)

    Hjortø, Gertrud Malene; Hansen, Morten; Larsen, Niels Bent

    2009-01-01

    Microcontact printing (mCP) is employed to generate discontinuous microscale gradients of active fractalkine, a chemokine expressed by endothelial cells near sites of inflammation where it is believed to form concentration gradients descending away from the inflamed area. In vivo, fractalkine...... active part of the molecules. Here, indirect mCP of a capture antibody recognizing a molecular tag on the target protein is successfully used to pattern tagged fractalkine in microscale gradient patterns. Fractalkine functions as an adhesion molecule for leukocytes. Cells expressing the fractalkine...

  11. Self-propagating high-temperature synthesis of diamond-containing function-gradient materials with a ceramic matrix based on TiB2-TiN and Ti5Si3-TiN

    International Nuclear Information System (INIS)

    Levashov, E.A.; Akulinin, P.V.; Sorokin, M.N.; Sviridova, T.A.; Khosomi, S.; Okh'yanagi, M.; Koizumi, S.

    2004-01-01

    For the first time a study is made into specific features of phase- and structure formation in diamond-bearing functionally gradient materials (FGM) with a ceramic binder on the basis of titanium diboride and nitride TiB 2 -TiN as well as titanium silicide and nitride Ti 5 Si 3 -TiN. For a titanium diboride and nitride base binder the maximum residual strength of diamond grains is 24 N for a specimen with 12.5 vol. % of diamond and 29 N for a specimen with 25 vol. % of diamond in a charge layer when an initial strength of diamond grains is equal to 37 N. For a titanium silicide and nitride base binder the residual strength of diamond in synthesized products is 32.5 and 28.7 N for specimens with 12.5 and 25 vol. % of diamond respectively, the initial strength of diamond grains being the same. A positive effect is shown for a 5% additive of titanium hydride in a charge diamond-bearing layer on the preservation of diamond in a tita nium diboride and nitride binder. Optimal conditions are determined to provide the possibility of obtaining high-quality products with a high degree of preservation and strength of diamond grains [ru

  12. Functional trait space and the latitudinal diversity gradient

    DEFF Research Database (Denmark)

    Lamanna, Christine; Blonder, Benjamin; Violle, Cyrille

    2014-01-01

    The processes causing the latitudinal gradient in species richness remain elusive. Ecological theories for the origin of biodiversity gradients, such as competitive exclusion, neutral dynamics, and environmental filtering, make predictions for how functional diversity should vary at the alpha...... of trait combinations or that niche packing is stronger in the tropical zone. Although there are limitations in the data, our analyses suggest that multiple processes have shaped trait diversity in trees, reflecting no consistent support for any one theory....

  13. Using nuclear methods for analyzing materials and determining concentration gradients

    International Nuclear Information System (INIS)

    Darras, R.

    After reviewing the various type of nuclear chemical analysis methods, the possibilities of analysis by activation and direct observation of nuclear reactions are specifically described. These methods make it possible to effect analyses of trace-elements or impurities, even as traces, in materials, with selectivity, accuracy and great sensitivity. This latter property makes them advantageous too for determining major elements in small quantities of available matter. Furthermore, they lend themselves to carrying out superficial analyses and the determination of concentration gradients, given the careful choice of the nature and energy of the incident particles. The paper is illustrated with typical examples of analyses on steels, pure iron, refractory metals, etc [fr

  14. Local gradient estimate for harmonic functions on Finsler manifolds

    OpenAIRE

    Xia, Chao

    2013-01-01

    In this paper, we prove the local gradient estimate for harmonic functions on complete, noncompact Finsler measure spaces under the condition that the weighted Ricci curvature has a lower bound. As applications, we obtain Liouville type theorem on Finsler manifolds with nonnegative Ricci curvature.

  15. Studying the gradient flow coupling in the Schroedinger functional

    Energy Technology Data Exchange (ETDEWEB)

    Fritzsch, P. [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Ramos, A. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

    2013-08-15

    We discuss the setup and features of a new definition of the running coupling in the Schroedinger functional scheme based on the gradient flow. Its suitability for a precise continuum limit in QCD is demonstrated on a set of N{sub f}=2 gauge field ensembles in a physical volume of L{proportional_to}0.4 fm.

  16. Graph approach to the gradient expansion of density functionals

    International Nuclear Information System (INIS)

    Kozlowski, P.M.; Nalewajski, R.F.

    1986-01-01

    A graph representation of terms in the gradient expansion of the kinetic energy density functional is presented. They briefly discuss the implications of the virial theorem for the graph structure and relations between possible graphs at a given order of expansion

  17. A functionally gradient variational porosity architecture for hollowed scaffolds fabrication

    Energy Technology Data Exchange (ETDEWEB)

    Khoda, A K M [Department of Industrial Engineering, University at Buffalo, Buffalo, NY 14260 (United States); Ozbolat, Ibrahim T [Department of Mechanical and Industrial Engineering, Center for Computer Aided Design, University of Iowa, Iowa City, IA 52242-1527 (United States); Koc, Bahattin, E-mail: bahattinkoc@sabanciuniv.edu [Faculty of Engineering and Natural Sciences, Sabanci University, Istanbul 34956 (Turkey)

    2011-09-15

    This paper presents a novel continuous tool-path planning methodology for hollowed scaffold fabrication in tissue engineering. A new functionally gradient porous architecture is proposed with a continuous material deposition planning scheme. A controllable variational pore size and hence the porosity have been achieved with a combination of two geometrically oriented consecutive layers. The desired porosity has been achieved with consecutive layers by geometrically partitioning each layer into sub-regions based on the area and the tissue scaffold design constraints. A continuous, interconnected and optimized tool-path for layers has been generated for a three-dimensional biomaterial deposition/printing process. A zigzag pattern tool-path has been proposed for an accumulated sub-region layer, and a concentric spiral-like optimal tool-path pattern has been generated for the successive layer to ensure continuity along the structure. Three-dimensional layers, formed by the proposed tool-path plan, vary the pore size and the porosity based on the biological and mechanical requirements. Several examples demonstrate the proposed methodology along with illustrative results. Also a comparative study between the proposed design and conventional Cartesian coordinate scaffolds has been performed. The results demonstrate a significant reduction in design error with the proposed method. Moreover, sample examples have been fabricated using a micro-nozzle biomaterial deposition system, and characterized for validation.

  18. A functionally gradient variational porosity architecture for hollowed scaffolds fabrication

    International Nuclear Information System (INIS)

    Khoda, A K M; Ozbolat, Ibrahim T; Koc, Bahattin

    2011-01-01

    This paper presents a novel continuous tool-path planning methodology for hollowed scaffold fabrication in tissue engineering. A new functionally gradient porous architecture is proposed with a continuous material deposition planning scheme. A controllable variational pore size and hence the porosity have been achieved with a combination of two geometrically oriented consecutive layers. The desired porosity has been achieved with consecutive layers by geometrically partitioning each layer into sub-regions based on the area and the tissue scaffold design constraints. A continuous, interconnected and optimized tool-path for layers has been generated for a three-dimensional biomaterial deposition/printing process. A zigzag pattern tool-path has been proposed for an accumulated sub-region layer, and a concentric spiral-like optimal tool-path pattern has been generated for the successive layer to ensure continuity along the structure. Three-dimensional layers, formed by the proposed tool-path plan, vary the pore size and the porosity based on the biological and mechanical requirements. Several examples demonstrate the proposed methodology along with illustrative results. Also a comparative study between the proposed design and conventional Cartesian coordinate scaffolds has been performed. The results demonstrate a significant reduction in design error with the proposed method. Moreover, sample examples have been fabricated using a micro-nozzle biomaterial deposition system, and characterized for validation.

  19. A functionally gradient variational porosity architecture for hollowed scaffolds fabrication.

    Science.gov (United States)

    Khoda, A K M; Ozbolat, Ibrahim T; Koc, Bahattin

    2011-09-01

    This paper presents a novel continuous tool-path planning methodology for hollowed scaffold fabrication in tissue engineering. A new functionally gradient porous architecture is proposed with a continuous material deposition planning scheme. A controllable variational pore size and hence the porosity have been achieved with a combination of two geometrically oriented consecutive layers. The desired porosity has been achieved with consecutive layers by geometrically partitioning each layer into sub-regions based on the area and the tissue scaffold design constraints. A continuous, interconnected and optimized tool-path for layers has been generated for a three-dimensional biomaterial deposition/printing process. A zigzag pattern tool-path has been proposed for an accumulated sub-region layer, and a concentric spiral-like optimal tool-path pattern has been generated for the successive layer to ensure continuity along the structure. Three-dimensional layers, formed by the proposed tool-path plan, vary the pore size and the porosity based on the biological and mechanical requirements. Several examples demonstrate the proposed methodology along with illustrative results. Also a comparative study between the proposed design and conventional Cartesian coordinate scaffolds has been performed. The results demonstrate a significant reduction in design error with the proposed method. Moreover, sample examples have been fabricated using a micro-nozzle biomaterial deposition system, and characterized for validation.

  20. Effects of WC Particle Size and Co Content on the Graded Structure in Functionally Gradient WC-Co Composites

    Directory of Open Access Journals (Sweden)

    Yuan Yigao

    2016-01-01

    Full Text Available Functionally gradient WC-Co composites having a Co depleted surface zone and not comprising the h phase can be manufactured via carburizing process. During carburizing, besides carburizing process parameters, the microstructural parameters of WC-Co materials, such as WC grain size and Co content, also have significant influences on the formation of Co gradient structure. In this study, the effects of WC particle size and Co content on the gradient structure within gradient hardmetals have been studied, based on a series of carburizing experiments of WC-Co materials with different WC particle sizes and cobalt contents. The results show that both the thickness and the amplitude of the gradients within gradient WC-Co materials increase with increasing initial WC particle size and Co content of WC-Co alloys. The reason for this finding is discussed.

  1. Functionally Graded Materials Database

    Science.gov (United States)

    Kisara, Katsuto; Konno, Tomomi; Niino, Masayuki

    2008-02-01

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

  2. Higher gradient expansion for linear isotropic peridynamic materials

    Czech Academy of Sciences Publication Activity Database

    Šilhavý, Miroslav

    2017-01-01

    Roč. 22, č. 6 (2017), s. 1483-1493 ISSN 1081-2865 Institutional support: RVO:67985840 Keywords : peridynamics * higher-grade theories * non-local elastic-material model * representation theorems for isotropic functions Subject RIV: BA - General Mathematics OBOR OECD: Applied mathematics Impact factor: 2.953, year: 2016 http://journals.sagepub.com/doi/10.1177/1081286516637235

  3. Higher gradient expansion for linear isotropic peridynamic materials

    Czech Academy of Sciences Publication Activity Database

    Šilhavý, Miroslav

    2017-01-01

    Roč. 22, č. 6 (2017), s. 1483-1493 ISSN 1081-2865 Institutional support: RVO:67985840 Keywords : peridynamics * higher-grade theories * non-local elastic-material model * representation theorems for isotropic functions Subject RIV: BA - General Mathematics OBOR OECD: Applied mathematics Impact factor: 2.953, year: 2016 http:// journals .sagepub.com/doi/10.1177/1081286516637235

  4. Optimal Design of Gradient Materials and Bi-Level Optimization of Topology Using Targets (BOTT)

    Science.gov (United States)

    Garland, Anthony

    The objective of this research is to understand the fundamental relationships necessary to develop a method to optimize both the topology and the internal gradient material distribution of a single object while meeting constraints and conflicting objectives. Functionally gradient material (FGM) objects possess continuous varying material properties throughout the object, and they allow an engineer to tailor individual regions of an object to have specific mechanical properties by locally modifying the internal material composition. A variety of techniques exists for topology optimization, and several methods exist for FGM optimization, but combining the two together is difficult. Understanding the relationship between topology and material gradient optimization enables the selection of an appropriate model and the development of algorithms, which allow engineers to design high-performance parts that better meet design objectives than optimized homogeneous material objects. For this research effort, topology optimization means finding the optimal connected structure with an optimal shape. FGM optimization means finding the optimal macroscopic material properties within an object. Tailoring the material constitutive matrix as a function of position results in gradient properties. Once, the target macroscopic properties are known, a mesostructure or a particular material nanostructure can be found which gives the target material properties at each macroscopic point. This research demonstrates that topology and gradient materials can both be optimized together for a single part. The algorithms use a discretized model of the domain and gradient based optimization algorithms. In addition, when considering two conflicting objectives the algorithms in this research generate clear 'features' within a single part. This tailoring of material properties within different areas of a single part (automated design of 'features') using computational design tools is a novel benefit

  5. The gradient flow coupling in the Schroedinger functional

    International Nuclear Information System (INIS)

    Fritzsch, Patrick; Ramos, Alberto

    2013-01-01

    We study the perturbative behavior of the Yang-Mills gradient flow in the Schroedinger Functional, both in the continuum and on the lattice. The energy density of the flow field is used to define a running coupling at a scale given by the size of the finite volume box. From our perturbative computation we estimate the size of cutoff effects of this coupling to leading order in perturbation theory. On a set of N f =2 gauge field ensembles in a physical volume of L∝0.4 fm we finally demonstrate the suitability of the coupling for a precise continuum limit due to modest cutoff effects and high statistical precision.

  6. Approximated Function Based Spectral Gradient Algorithm for Sparse Signal Recovery

    Directory of Open Access Journals (Sweden)

    Weifeng Wang

    2014-02-01

    Full Text Available Numerical algorithms for the l0-norm regularized non-smooth non-convex minimization problems have recently became a topic of great interest within signal processing, compressive sensing, statistics, and machine learning. Nevertheless, the l0-norm makes the problem combinatorial and generally computationally intractable. In this paper, we construct a new surrogate function to approximate l0-norm regularization, and subsequently make the discrete optimization problem continuous and smooth. Then we use the well-known spectral gradient algorithm to solve the resulting smooth optimization problem. Experiments are provided which illustrate this method is very promising.

  7. Inaudible functional MRI using a truly mute gradient echo sequence

    International Nuclear Information System (INIS)

    Marcar, V.L.; Girard, F.; Rinkel, Y.; Schneider, J.F.; Martin, E.

    2002-01-01

    We performed functional MRI experiments using a mute version of a gradient echo sequence on adult volunteers using either a simple visual stimulus (flicker goggles: 4 subjects) or an auditory stimulus (music: 4 subjects). Because the mute sequence delivers fewer images per unit time than a fast echo planar imaging (EPI) sequence, we explored our data using a parametric ANOVA test and a non-parametric Wilcoxon-Mann-Whitney test in addition to performing a cross-correlation analysis. All three methods were in close agreement regarding the location of the BOLD contrast signal change. We demonstrated that, using appropriate statistical analysis, functional MRI using an MR sequence that is acoustically inaudible to the subject is feasible. Furthermore compared with the ''silent'' event-related procedures involving an EPI protocol, our mGE protocol compares favourably with respect to experiment time and the BOLD signal. (orig.)

  8. Inaudible functional MRI using a truly mute gradient echo sequence

    Energy Technology Data Exchange (ETDEWEB)

    Marcar, V.L. [University of Zurich, Department of Psychology, Neuropsychology, Treichlerstrasse 10, 8032 Zurich (Switzerland); Girard, F. [GE Medical Systems SA, 283, rue de la Miniere B.P. 34, 78533 Buc Cedex (France); Rinkel, Y.; Schneider, J.F.; Martin, E. [University Children' s Hospital, Neuroradiology and Magnetic Resonance, Department of Diagnostic Imaging, Steinwiesstrasse 75, 8032 Zurich (Switzerland)

    2002-11-01

    We performed functional MRI experiments using a mute version of a gradient echo sequence on adult volunteers using either a simple visual stimulus (flicker goggles: 4 subjects) or an auditory stimulus (music: 4 subjects). Because the mute sequence delivers fewer images per unit time than a fast echo planar imaging (EPI) sequence, we explored our data using a parametric ANOVA test and a non-parametric Wilcoxon-Mann-Whitney test in addition to performing a cross-correlation analysis. All three methods were in close agreement regarding the location of the BOLD contrast signal change. We demonstrated that, using appropriate statistical analysis, functional MRI using an MR sequence that is acoustically inaudible to the subject is feasible. Furthermore compared with the ''silent'' event-related procedures involving an EPI protocol, our mGE protocol compares favourably with respect to experiment time and the BOLD signal. (orig.)

  9. Mechanics of advanced functional materials

    CERN Document Server

    Wang, Biao

    2013-01-01

    Mechanics of Advanced Functional Materials emphasizes the coupling effect between the electric and mechanical field in the piezoelectric, ferroelectric and other functional materials. It also discusses the size effect on the ferroelectric domain instability and phase transition behaviors using the continuum micro-structural evolution models. Functional materials usually have a very wide application in engineering due to their unique thermal, electric, magnetic, optoelectronic, etc., functions. Almost all the applications demand that the material should have reasonable stiffness, strength, fracture toughness and the other mechanical properties. Furthermore, usually the stress and strain fields on the functional materials and devices have some important coupling effect on the functionality of the materials. Much progress has been made concerning the coupling electric and mechanical behaviors such as the coupled electric and stress field distribution in piezoelectric solids, ferroelectric domain patterns in ferr...

  10. The gradient flow coupling in the Schroedinger functional

    Energy Technology Data Exchange (ETDEWEB)

    Fritzsch, Patrick [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Ramos, Alberto [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

    2013-01-15

    We study the perturbative behavior of the Yang-Mills gradient flow in the Schroedinger Functional, both in the continuum and on the lattice. The energy density of the flow field is used to define a running coupling at a scale given by the size of the finite volume box. From our perturbative computation we estimate the size of cutoff effects of this coupling to leading order in perturbation theory. On a set of N{sub f}=2 gauge field ensembles in a physical volume of L{proportional_to}0.4 fm we finally demonstrate the suitability of the coupling for a precise continuum limit due to modest cutoff effects and high statistical precision.

  11. Development of plasma facing components with functionally gradient layers

    Energy Technology Data Exchange (ETDEWEB)

    Morimoto, M.; Kudough, F. [Mitsubishi Atomic Power Industries, Inc., Yokohama (Japan); Onozuka, M.; Tsunoda, H.; Toyoda, M. [Mitsubishi Heavy Industries, Ltd., Yokohama (Japan)

    1994-11-01

    The use of functionally graded layers (FGLs) for plasma facing components (PFCs), owing to moderate or piecewise transition in material properties from low-Z surface materials to metal substrates, can provide reduction in thermal stresses, and also provide high thermal load resistance to PFCs. This article deals with the comparison of high heat flux testing and thermal stress analysis results on PFCs. Thermal stress analyses confirmed the thermal loading test results.

  12. Functionalized silica materials for electrocatalysis

    Indian Academy of Sciences (India)

    To increase the efficiency of the electrocatalytic process and to increase the electrochemical accessibility of the immobilized electrocatalysts, functionalized and non-functionalized mesoporous organo-silica (MCM41-type-materials) are used in this study. These materials possess several suitable properties to be durable ...

  13. 3D Printing of Materials with Tunable Failure via Bioinspired Mechanical Gradients.

    Science.gov (United States)

    Kokkinis, Dimitri; Bouville, Florian; Studart, André R

    2018-05-01

    Mechanical gradients are useful to reduce strain mismatches in heterogeneous materials and thus prevent premature failure of devices in a wide range of applications. While complex graded designs are a hallmark of biological materials, gradients in manmade materials are often limited to 1D profiles due to the lack of adequate fabrication tools. Here, a multimaterial 3D-printing platform is developed to fabricate elastomer gradients spanning three orders of magnitude in elastic modulus and used to investigate the role of various bioinspired gradient designs on the local and global mechanical behavior of synthetic materials. The digital image correlation data and finite element modeling indicate that gradients can be effectively used to manipulate the stress state and thus circumvent the weakening effect of defect-rich interfaces or program the failure behavior of heterogeneous materials. Implementing this concept in materials with bioinspired designs can potentially lead to defect-tolerant structures and to materials whose tunable failure facilitates repair of biomedical implants, stretchable electronics, or soft robotics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. The Deflated Preconditioned Conjugate Gradient Method Applied to Composite Materials

    NARCIS (Netherlands)

    Jönsthövel, T.B.

    2012-01-01

    Simulations with composite materials often involve large jumps in the coefficients of the underlying stiffness matrix. These jumps can introduce unfavorable eigenvalues in the spectrum of the stiffness matrix. We show that the rigid body modes; the translations and rotations, of the disjunct rigid

  15. Thickness filters for gradient based multi-material and thickness optimization of laminated composite structures

    DEFF Research Database (Denmark)

    Sørensen, Rene; Lund, Erik

    2015-01-01

    This paper presents a new gradient based method for performing discrete material and thickness optimization of laminated composite structures. The novelty in the new method lies in the application of so-called casting constraints, or thickness filters in this context, to control the thickness...... variation throughout the laminate. The filters replace the layerwise density variables with a single continuous through-the-thickness design variable. Consequently, the filters eliminate the need for having explicit constraints for preventing intermediate void through the thickness of the laminate....... Therefore, the filters reduce both the number of constraints and design variables in the optimization problem. Based upon a continuous approximation of a unit step function, the thickness filters are capable of projecting discrete 0/1 values to the underlying layerwise or ”physical” density variables which...

  16. JAKEF, Gradient or Jacobian Function from Objective Function or Vector Function

    International Nuclear Information System (INIS)

    Hillstrom, K.E.

    1988-01-01

    1 - Description of program or function: JAKEF is a language processor that accepts as input a single- or double-precision ANSI standard 1977 FORTRAN subroutine defining an objective function f(x), or a vector function F(x), and produces as output a single- or double- precision ANSI standard 1977 FORTRAN subroutine defining the gradient of f(x), or the Jacobian of F(x). 2 - Method of solution: JAKEF is a four-pass compiler consisting of a lexical preprocessor, a parser, a tree-building and flow analysis pass, and a differentiator and output construction pass. The lexical preprocessor reworks the input FORTRAN program to give it a recognizable lexical structure. The parser transforms the pre-processed input into a string of tokens in a post-fix representation of the program tree. The tree-building and flow analysis pass constructs a tree out of the post-fix token string. The differentiator identifies relevant assignment statements; then, if necessary, it analyzes them into component statements governed by a single differentiation rule and augments each of these statements with a call to a member of the run-time support package which implements the differentiation rule. After completing the construction of the main body of the routine, JAKEF inserts calls to support package routines that complete the differentiation. This results in a modified program tree in a form compatible with FORTRAN rules. 3 - Restrictions on the complexity of the problem: Statement functions and Equivalence's that involve the independent variables are not handled correctly. Variables, constants, or functions of type COMPLEX are not recognized. Character sub-string expressions and alternate returns are not permitted

  17. Modeling of sintering of functionally gradated materials

    International Nuclear Information System (INIS)

    Gasik, M.; Zhang, B.

    2001-01-01

    The functionally gradated materials (FGMs) are distinguished from isotropic materials by gradients of composition, phase distribution, porosity, and related properties. For FGMs made by powder metallurgy, sintering control is one of the most important factors. In this study sintering process of FGMs is modeled and simulated with a computer. A new modeling approach was used to formulate equation systems and the model for sintering of gradated hard metals, coupled with heat transfer and grain growth. A FEM module was developed to simulate FGM sintering in conventional, microwave and hybrid conditions, to calculate density, stress and temperature distribution. Behavior of gradated WC-Co hardmetal plate and cone specimens was simulated for various conditions, such as mean particle size, green density distribution and cobalt gradation parameter. The results show that the deformation behavior and stress history of graded powder compacts during heating, sintering and cooling could be predicted for optimization of sintering process. (author)

  18. Strain gradient effects on steady state crack growth in rate-sensitive materials

    DEFF Research Database (Denmark)

    Nielsen, Kim Lau; Niordson, Christian Frithiof; Hutchinson, John W.

    2012-01-01

    , a characteristic velocity, at which the toughness becomes independent of the rate-sensitivity, has been observed. It is the aim to bring forward a similar characteristic velocity for the current strain gradient visco-plastic model, as-well as to signify its use in future visco-plastic material modeling.......Steady state crack propagation produce substantial plastic strain gradients near the tip, which are accompanied by a high density of geometrically necessary dislocations and additional local strain hardening. Here, the objective is to study these gradient effects on Mode I toughness...... of a homogeneous rate-sensitive metal, using a higher order plasticity theory. Throughout, emphasis is on the toughness rate-sensitivity, as a recent numerical study of a conventional material (no gradient effects) has indicated a significant influence of both strain rate hardening and crack tip velocity. Moreover...

  19. Material Selection and Characterization for High Gradient RF Applications

    CERN Document Server

    Arnau-Izquierdo, G; Heikkinen, S; Ramsvik, T; Sgobba, Stefano; Taborelli, M; Wuensch, W

    2007-01-01

    The selection of candidate materials for the accelerating cavities of the Compact Linear Collider (CLIC) is carried out in parallel with high power RF testing. The maximum DC breakdown field of copper, copper alloys, refractory metals, aluminium and titanium have been measured with a dedicated setup. Higher maximum fields are obtained for refractory metals and for titanium, which exhibits, however, important damages after conditioning. Fatigue behaviour of copper alloys has been studied for surface and bulk by pulsed laser irradiation and ultrasonic excitation, respectively. The selected copper alloys show consistently higher fatigue resistance than copper in both experiments. In order to obtain the best local properties in the device a possible solution is a bi-metallic assembly. Junctions of molybdenum and copper-zirconium UNS C15000 alloy, achieved by HIP (Hot Isostatic Pressing) diffusion bonding or explosion bonding were evaluated for their mechanical strength. The reliability of the results obtained wit...

  20. Functionally Graded Material: An overview

    CSIR Research Space (South Africa)

    Mahamood, RM

    2012-07-01

    Full Text Available -3146. [50] X. Jin, L. Wu, L. Guo, H. Yu, and Y. Sun, ?Experimental investigation of the mixed-mode crack propagation in ZrO2/NiCr functionally graded materials,? Engineering Fracture Mechanics, vol. 76(12), (2009), pp. 1800-1810. [51] Z. Cheng, D. Gao... by stable crack growth,? Engineering Fracture Mechanics, vol.72(15), (2005), pp. 2359-2372. [47] Z.-H. Jin, and R.H. Dodds Jr, ?Crack growth resistance behavior of a functionally graded material: computational studies,? Engineering Fracture Mechanics...

  1. Probability density function method for variable-density pressure-gradient-driven turbulence and mixing

    International Nuclear Information System (INIS)

    Bakosi, Jozsef; Ristorcelli, Raymond J.

    2010-01-01

    Probability density function (PDF) methods are extended to variable-density pressure-gradient-driven turbulence. We apply the new method to compute the joint PDF of density and velocity in a non-premixed binary mixture of different-density molecularly mixing fluids under gravity. The full time-evolution of the joint PDF is captured in the highly non-equilibrium flow: starting from a quiescent state, transitioning to fully developed turbulence and finally dissipated by molecular diffusion. High-Atwood-number effects (as distinguished from the Boussinesq case) are accounted for: both hydrodynamic turbulence and material mixing are treated at arbitrary density ratios, with the specific volume, mass flux and all their correlations in closed form. An extension of the generalized Langevin model, originally developed for the Lagrangian fluid particle velocity in constant-density shear-driven turbulence, is constructed for variable-density pressure-gradient-driven flows. The persistent small-scale anisotropy, a fundamentally 'non-Kolmogorovian' feature of flows under external acceleration forces, is captured by a tensorial diffusion term based on the external body force. The material mixing model for the fluid density, an active scalar, is developed based on the beta distribution. The beta-PDF is shown to be capable of capturing the mixing asymmetry and that it can accurately represent the density through transition, in fully developed turbulence and in the decay process. The joint model for hydrodynamics and active material mixing yields a time-accurate evolution of the turbulent kinetic energy and Reynolds stress anisotropy without resorting to gradient diffusion hypotheses, and represents the mixing state by the density PDF itself, eliminating the need for dubious mixing measures. Direct numerical simulations of the homogeneous Rayleigh-Taylor instability are used for model validation.

  2. New applications of a generalized Hooke’s law for second gradient materials

    Directory of Open Access Journals (Sweden)

    K. Enakoutsa

    2015-05-01

    Full Text Available We provide analytical solutions to the problems of a circular bending of a beam in plane strain and the torsion of a non-circular cross-section beam, the beams obeying a second-gradient elasticity law proposed by the author, following a previous suggestion of Dell’Isola et al. (2009. The motivation was to find benchmark analytical solutions that can serve to grasp the physical foundations of second gradient elasticity laws for heterogeneous materials. The analytical solution of the circular beam problem presents the additional advantage to establish some nice properties on the unknown second gradient elastic moduli introduced by Enakoutsa (2014 model and the classical elasticity constants for both incompressible and compressible heterogeneous elastic materials. A framework to find the elastic moduli of the new model is also proposed.

  3. Design and fabrication of integrated micro/macrostructure for 3D functional gradient systems based on additive manufacturing

    Science.gov (United States)

    Yin, Ming; Xie, Luofeng; Jiang, Weifeng; Yin, Guofu

    2018-05-01

    Functional gradient systems have important applications in many areas. Although a 2D dielectric structure that serves as the gradient index medium for controlling electromagnetic waves is well established, it may not be suitable for application in 3D case. In this paper, we present a method to realize functional gradient systems with 3D integrated micro/macrostructure. The homogenization of the structure is studied in detail by conducting band diagram analysis. The analysis shows that the effective medium approximation is valid even when periodicity is comparable to wavelength. The condition to ensure the polarization-invariant, isotropic, and frequency-independent property is investigated. The scheme for the design and fabrication of 3D systems requiring spatial material property distribution is presented. By using the vat photopolymerization process, a large overall size of macrostructure at the system level and precise fine features of microstructure at the unit cell level are realized, thus demonstrating considerable scalability of the system for wave manipulation.

  4. Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals.

    Science.gov (United States)

    Śmiga, Szymon; Fabiano, Eduardo; Laricchia, Savio; Constantin, Lucian A; Della Sala, Fabio

    2015-04-21

    We analyze the methodology and the performance of subsystem density functional theory (DFT) with meta-generalized gradient approximation (meta-GGA) exchange-correlation functionals for non-bonded molecular systems. Meta-GGA functionals depend on the Kohn-Sham kinetic energy density (KED), which is not known as an explicit functional of the density. Therefore, they cannot be directly applied in subsystem DFT calculations. We propose a Laplacian-level approximation to the KED which overcomes this limitation and provides a simple and accurate way to apply meta-GGA exchange-correlation functionals in subsystem DFT calculations. The so obtained density and energy errors, with respect to the corresponding supermolecular calculations, are comparable with conventional approaches, depending almost exclusively on the approximations in the non-additive kinetic embedding term. An embedding energy error decomposition explains the accuracy of our method.

  5. A partitioned conjugate gradient algorithm for lattice Green functions

    International Nuclear Information System (INIS)

    Bowler, K.C.; Kenway, R.D.; Pawley, G.S.; Wallace, D.J.

    1984-01-01

    Partitioning reduces by one the dimensionality of the lattice on which a propagator need be calculated using, for example, the conjugate gradient algorithm. Thus the quark propagator in lattice QCD may be determined by a computation on a single spatial hyperplane. For free fermions on a 16 3 x N lattice 2N-bit accuracy in the propagator is required to avoid rounding errors. (orig.)

  6. Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals.

    Science.gov (United States)

    Furness, James W; Verbeke, Joachim; Tellgren, Erik I; Stopkowicz, Stella; Ekström, Ulf; Helgaker, Trygve; Teale, Andrew M

    2015-09-08

    We present the self-consistent implementation of current-dependent (hybrid) meta-generalized gradient approximation (mGGA) density functionals using London atomic orbitals. A previously proposed generalized kinetic energy density is utilized to implement mGGAs in the framework of Kohn-Sham current density functional theory (KS-CDFT). A unique feature of the nonperturbative implementation of these functionals is the ability to seamlessly explore a wide range of magnetic fields up to 1 au (∼235 kT) in strength. CDFT functionals based on the TPSS and B98 forms are investigated, and their performance is assessed by comparison with accurate coupled-cluster singles, doubles, and perturbative triples (CCSD(T)) data. In the weak field regime, magnetic properties such as magnetizabilities and nuclear magnetic resonance shielding constants show modest but systematic improvements over generalized gradient approximations (GGA). However, in the strong field regime, the mGGA-based forms lead to a significantly improved description of the recently proposed perpendicular paramagnetic bonding mechanism, comparing well with CCSD(T) data. In contrast to functionals based on the vorticity, these forms are found to be numerically stable, and their accuracy at high field suggests that the extension of mGGAs to CDFT via the generalized kinetic energy density should provide a useful starting point for further development of CDFT approximations.

  7. Observation of Enhanced Hole Extraction in Br Concentration Gradient Perovskite Materials.

    Science.gov (United States)

    Kim, Min-Cheol; Kim, Byeong Jo; Son, Dae-Yong; Park, Nam-Gyu; Jung, Hyun Suk; Choi, Mansoo

    2016-09-14

    Enhancing hole extraction inside the perovskite layer is the key factor for boosting photovoltaic performance. Realization of halide concentration gradient perovskite materials has been expected to exhibit rapid hole extraction due to the precise bandgap tuning. Moreover, a formation of Br-rich region on the tri-iodide perovskite layer is expected to enhance moisture stability without a loss of current density. However, conventional synthetic techniques of perovskite materials such as the solution process have not achieved the realization of halide concentration gradient perovskite materials. In this report, we demonstrate the fabrication of Br concentration gradient mixed halide perovskite materials using a novel and facile halide conversion method based on vaporized hydrobromic acid. Accelerated hole extraction and enhanced lifetime due to Br gradient was verified by observing photoluminescence properties. Through the combination of secondary ion mass spectroscopy and transmission electron microscopy with energy-dispersive X-ray spectroscopy analysis, the diffusion behavior of Br ions in perovskite materials was investigated. The Br-gradient was found to be eventually converted into a homogeneous mixed halide layer after undergoing an intermixing process. Br-substituted perovskite solar cells exhibited a power conversion efficiency of 18.94% due to an increase in open circuit voltage from 1.08 to 1.11 V and an advance in fill-factor from 0.71 to 0.74. Long-term stability was also dramatically enhanced after the conversion process, i.e., the power conversion efficiency of the post-treated device has remained over 97% of the initial value under high humid conditions (40-90%) without any encapsulation for 4 weeks.

  8. Anisotropic failure and size effects in periodic honeycomb materials: A gradient-elasticity approach

    Science.gov (United States)

    Réthoré, Julien; Dang, Thi Bach Tuyet; Kaltenbrunner, Christine

    2017-02-01

    This paper proposes a fracture mechanics model for the analysis of crack propagation in periodic honeycomb materials. The model is based on gradient-elasticity which enables us to account for the effect of the material structure at the macroscopic scale. For simulating the propagation of cracks along an arbitrary path, the numerical implementation is elaborated based on an extended finite element method with the required level of continuity. The two main features captured by the model are directionality and size effect. The numerical predictions are consistent with experimental results on honeycomb materials but also with results reported in the literature for microstructurally short cracks in metals.

  9. On the divergence of gradient expansions for kinetic energy functionals in the potential functional theory

    International Nuclear Information System (INIS)

    Sergeev, Alexey; Jovanovic, Raka; Kais, Sabre; Alharbi, Fahhad H

    2016-01-01

    We consider the density of a fermionic system as a functional of the potential, in one-dimensional case, where it is approximated by the Thomas–Fermi term plus semiclassical corrections through the gradient expansion. We compare this asymptotic series with the exact answer for the case of the harmonic oscillator and the Morse potential. It is found that the leading (Thomas–Fermi) term is in agreement with the exact density, but the subdominant term does not agree in terms of the asymptotic behavior because of the presence of oscillations in the exact density, but their absence in the gradient expansion. However, after regularization of the density by convolution with a Gaussian, the agreement can be established even in the subdominant term. Moreover, it is found that the expansion is always divergent, and its terms grow proportionally to the factorial function of the order, similar to the well-known divergence of perturbation series in field theory and the quantum anharmonic oscillator. Padé–Hermite approximants allow summation of the series, and one of the branches of the approximants agrees with the density. (paper)

  10. Cracks in functionally graded materials

    International Nuclear Information System (INIS)

    Bahr, H.-A.; Balke, H.; Fett, T.; Hofinger, I.; Kirchhoff, G.; Munz, D.; Neubrand, A.; Semenov, A.S.; Weiss, H.-J.; Yang, Y.Y.

    2003-01-01

    The weight function method is described to analyze the crack growth behavior in functionally graded materials and in particular materials with a rising crack growth resistance curve. Further, failure of graded thermal barrier coatings (TBCs) under cyclic surface heating by laser irradiation is modeled on the basis of fracture mechanics. The damage of both graded and non-graded TBCs is found to develop in several distinct stages: vertical cracking→delamination→blistering→spalling. This sequence can be understood as an effect of progressive shrinkage due to sintering and high-temperature creep during thermal cycling, which increases the energy-release rate for vertical cracks which subsequently turn into delamination cracks. The results of finite element modeling, taking into account the TBC damage mechanisms, are compatible with experimental data. An increase of interface fracture toughness due to grading and a decrease due to ageing have been measured in a four-point bending test modified by a stiffening layer. Correlation with the damage observed in cyclic heating is discussed. It is explained in which way grading is able to reduce the damage

  11. The Polymerization of MMA and ST to Prepare Material with Gradient Refractive Index in Electric Field

    Directory of Open Access Journals (Sweden)

    Yao Huang

    2015-01-01

    Full Text Available Light scattering material with gradient refractive index was prepared under the electrical field by taking methyl methacrylate (MMA monomer as the matrix with the addition of a little preheated styrene (ST and peroxidation benzoin formyl (BPO. The material obtained under electrical field presented different transmittance and molecular weight at different parts of the cylindrical sample along the axis of the direction of electric field which led to the layering phenomenon and gradient refractive index. The disparity of molecular weight between different layers can be as much as 230 thousand. There were several peaks in the figure of GPC test of the sample under electric field. This proved that there were polymers with different molecular weights in the sample. Therefore, it can be concluded that electrical field has a significant effect on polymerization.

  12. Origination and immigration drive latitudinal gradients in marine functional diversity.

    Directory of Open Access Journals (Sweden)

    Sarah K Berke

    Full Text Available Global patterns in the functional attributes of organisms are critical to understanding biodiversity trends and predicting biotic responses to environmental change. In the first global marine analysis, we find a strong decrease in functional richness, but a strong increase in functional evenness, with increasing latitude using intertidal-to-outer-shelf bivalves as a model system (N = 5571 species. These patterns appear to be driven by the interplay between variation in origination rates among functional groups, and latitudinal patterns in origination and range expansion, as documented by the rich fossil record of the group. The data suggest that (i accumulation of taxa in spatial bins and functional categories has not impeded continued diversification in the tropics, and (ii extinctions will influence ecosystem function differentially across latitudes.

  13. Functional response of osteoblasts in functionally gradient titanium alloy mesh arrays processed by 3D additive manufacturing.

    Science.gov (United States)

    Nune, K C; Kumar, A; Misra, R D K; Li, S J; Hao, Y L; Yang, R

    2017-02-01

    We elucidate here the osteoblasts functions and cellular activity in 3D printed interconnected porous architecture of functionally gradient Ti-6Al-4V alloy mesh structures in terms of cell proliferation and growth, distribution of cell nuclei, synthesis of proteins (actin, vinculin, and fibronectin), and calcium deposition. Cell culture studies with pre-osteoblasts indicated that the interconnected porous architecture of functionally gradient mesh arrays was conducive to osteoblast functions. However, there were statistically significant differences in the cellular response depending on the pore size in the functionally gradient structure. The interconnected porous architecture contributed to the distribution of cells from the large pore size (G1) to the small pore size (G3), with consequent synthesis of extracellular matrix and calcium precipitation. The gradient mesh structure significantly impacted cell adhesion and influenced the proliferation stage, such that there was high distribution of cells on struts of the gradient mesh structure. Actin and vinculin showed a significant difference in normalized expression level of protein per cell, which was absent in the case of fibronectin. Osteoblasts present on mesh struts formed a confluent sheet, bridging the pores through numerous cytoplasmic extensions. The gradient mesh structure fabricated by electron beam melting was explored to obtain fundamental insights on cellular activity with respect to osteoblast functions. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Displacement functions for diatomic materials

    International Nuclear Information System (INIS)

    Panrkin, D.M.; Coulter, C.A.

    1979-01-01

    An extension of the methods of Lindhard et at. was used to calculate the total displacement function n/sub ij/(E) for a number of diatomic materials, where n/sub ij/(E) is defined to be the average number of atoms of type j which are displaced from their sites in a displacement cascade initiated by a PKA of type i and energy E. From the n/sub ij/(E) one can calculate the fraction n/sub ij/(E) of the displacements produced by a type i PKA with energy E which are of type j. Values of the n/sub ij/ for MgO, CaO, Al 2 O 3 , and TaO are presented. It is shown that for diatomic materials with mass ratios reasonably near one (e.g., MgO, Al 2 O 3 ) and equal displacement thresholds for the two species the n/sub ij/ become independent of the PKA type i at energies only a few times threshold. However, for larger mass ratios the n/sub ij/ do not become independent of i until much larger, energies are reached - e.g. > 10 5 eV for TaO. In addition, it is found that the n/sub ij/ depend sensitively on the displacement thresholds, with very dramatic charges occuring when the two thresholds become significantly different from one another

  15. A viscoplastic strain gradient analysis of materials with voids or inclusions

    DEFF Research Database (Denmark)

    Borg, Ulrik; Niordson, Christian Frithiof; Fleck, N. A.

    2006-01-01

    -2454] of the strain gradient plasticity theory proposed by Fleck and Hutchinson (2001) [Journal of the Mechanics and Physics of Solids 49, 2245-2271]. The formulation is based on a viscoplastic potential that enables the formulation of the model so that it reduces to the strain gradient plasticity theory...... in the absence of viscous effects. The numerical implementation uses increments of the effective plastic strain rate as degrees of freedom in addition to increments of displacement. To illustrate predictions of the model, results are presented for materials containing either voids or rigid inclusions......A finite strain viscoplastic nonlocal plasticity model is formulated and implemented numerically within a finite element framework. The model is a viscoplastic generalisation of the finite strain generalisation by Niordson and Redanz (2004) [Journal of the Mechanics and Physics of Solids 52, 2431...

  16. Microbial community composition and functions are resilient to metal pollution along two forest soil gradients.

    NARCIS (Netherlands)

    Azarbad, H.; Niklinska, M.; Laskowski, R.; van Straalen, N.M.; van Gestel, C.A.M.; Zhou, J.; He, Z.; Wen, C.; Roling, W.F.M.

    2015-01-01

    Despite the global importance of forests, it is virtually unknown how their soil microbial communities adapt at the phylogenetic and functional level to long-term metal pollution. Studying 12 sites located along two distinct gradients of metal pollution in Southern Poland revealed that functional

  17. Measurement of water vapour transport through a porous non-hygroscopic material in a temperature gradient

    DEFF Research Database (Denmark)

    Hansen, Thor; Padfield, Tim; Hansen, Kurt Kielsgaard

    2014-01-01

    This was an experiment to identify the driving potential for water vapour diffusion through porous materials in a temperature gradient. The specimen of mineral fibre insulation was placed between a space with controlled temperature and relative humidity and a space with a controlled, higher...... temperature, and a measured but not controlled relative humidity (RH). This assembly was allowed to reach equilibrium with no vapour movement between the spaces, as tested by a constant RH on each side and by zero flux of water vapour measured in the cold side chamber. The RH and temperature values were...

  18. Enhanced ductility of surface nano-crystallized materials by modulating grain size gradient

    International Nuclear Information System (INIS)

    Li, Jianjun; Soh, A K

    2012-01-01

    Surface nano-crystallized (SNC) materials with a graded grain size distribution on their surfaces have been attracting increasing scientific interest over the past few decades due to their good synergy of high strength and high ductility. However, to date most of the existing studies have focused on the individual contribution of three different aspects, i.e. grain size gradient (GSG), work-hardened region and surface compressive residual stresses, which were induced by surface severe plastic deformation processes, to the improved strength of SNC materials as compared with that of their coarse grained (CG) counterparts. And the ductility of these materials has hardly been studied. In this study, a combination of theoretical analysis and finite element simulations was used to investigate the role of GSG in tuning the ductility of SNC materials. It was found that the ductility of an SNC material can be comparable to that of its CG counterpart, while it simultaneously possessed a much higher strength than its CG core if the optimal GSG thickness and grain size of the topmost phase were adopted. A design map that can be used as a guideline for fabrication of SNC materials was also plotted. Our predictions were also compared with the corresponding experimental results. (paper)

  19. Development of gradient-corrected exchange-correlation functionals in the density functional theory; Developpement de fonctionnelles corrigees du gradient en theorie de la fonctionnelle de la densite

    Energy Technology Data Exchange (ETDEWEB)

    Lembarki, A.

    1994-12-01

    In this work, we have developed some gradient-corrected exchange-correlation functionals. This study is in keeping with the density functional theory (DFT) formalism. In the first part of this memory, a description of Hartree-Fock (HF), post-HF and density functional theories is given. The second part is devoted the study the different approximations of DFT exchange-correlation functionals which have been proposed in the last years. In particular, we have underlined the approximations used for the construction of these functionals. The third part of this memory consists in the development of new gradient-corrected functionals. In this study, we have established a new relation between exchange energy, correlation energy and kinetic energy. We have deduced two new possible forms of exchange or correlation functionals, respectively. In the fourth part, we have studied the exchange potential, for which the actual formulation does not satisfy some theoretical conditions, such as the asymptotic behavior -1/r. Our contribution lies in the development of an exchange potential with a correct asymptotic -1/r behavior for large values of r. In this chapter, we have proposed a model which permits the obtention of the exchange energy from the exchange potential, using the virial theorem. The fifth part of this memory is devoted the application of these different functionals to simple systems (H{sub 2}O, CO, N{sub 2}O, H{sub 3}{sup +} and H{sub 5}{sup +}) in order to characterize the performance of DFT calculations in regards to those obtained with post-HF methods. (author). 215 refs., 8 figs., 28 tabs.

  20. The structural science of functional materials.

    Science.gov (United States)

    Catlow, C Richard A

    2018-01-01

    The growing complexity of functional materials and the major challenges this poses to structural science are discussed. The diversity of structural materials science and the contributions that computation is making to the field are highlighted.

  1. Plant functional traits and the distribution of West African rain forest trees along the rainfall gradient

    NARCIS (Netherlands)

    Maharjan, S.K.; Poorter, L.; Holmgren, M.; Bongers, F.; Wieringa, J.J.; Hawthorne, W.D.

    2011-01-01

    Plant morphological and physiological traits affect the way plants tolerate environmental stresses and therefore play an important role in shaping species distribution patterns in relation to environmental gradients. Despite our growing knowledge on the role of functional traits in structuring plant

  2. Static high-gradient magnetic fields affect the functionality of monocytic cells

    Czech Academy of Sciences Publication Activity Database

    Syrovets, T.; Schmidt, Z.; Buechele, B.; Zablotskyy, Vitaliy A.; Dejneka, Alexandr; Dempsey, N.; Simmet, T.

    2014-01-01

    Roč. 28, č. 1 (2014), s. 1-2 ISSN 0892-6638 Institutional support: RVO:68378271 Keywords : static high-gradient * magnet ic fields * affect the functionality * monocytic cells Subject RIV: BM - Solid Matter Physics ; Magnet ism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.)

  3. A new macroscopically anisotropic pressure dependent yield function for metal matrix composite based on strain gradient plasticity for the microstructure

    DEFF Research Database (Denmark)

    Azizi, Reza; Legarth, Brian Nyvang; Niordson, Christian Frithiof

    2013-01-01

    Metal matrix composites with long aligned elastic fibers are studied using an energetic rate independent strain gradient plasticity theory with an isotropic pressure independent yield function at the microscale. The material response is homogenized to obtain a conventional macroscopic model...... is investigated numerically using a unit cell model with periodic boundary conditions containing a single fiber deformed under generalized plane strain conditions. The homogenized response can be modeled by conventional plasticity with an anisotropic yield surface and a free energy depending on plastic strain...

  4. Functionalized silica materials for electrocatalysis

    Indian Academy of Sciences (India)

    brane/film on the surface of the electrodes by dip or spin coating and .... electrode and a thin platinum wire as counter electrode were used for ... 3.1 Materials characterization. TFS and ... in the visible region.2,11,12,18,20 Surface plasmon res-.

  5. Tessellated permanent magnet circuits for flow-through, open gradient separations of weakly magnetic materials

    International Nuclear Information System (INIS)

    Moore, Lee R.; Williams, P. Stephen; Chalmers, Jeffrey J.; Zborowski, Maciej

    2017-01-01

    Emerging microfluidic-based cell assays favor label-free red blood cell (RBC) depletion. Magnetic separation of RBC is possible because of the paramagnetism of deoxygenated hemoglobin but the process is slow for open-gradient field configurations. In order to increase the throughput, periodic arrangements of the unit magnets were considered, consisting of commercially available Nd-Fe-B permanent magnets and soft steel flux return pieces. The magnet design is uniquely suitable for multiplexing by magnet tessellation, here meaning the tiling of the magnet assembly cross-sectional plane by periodic repetition of the magnet and the flow channel shapes. The periodic pattern of magnet magnetizations allows a reduction of the magnetic material per channel with minimal distortion of the field cylindrical symmetry inside the magnet apertures. A number of such magnet patterns are investigated for separator performance, size and economy with the goal of designing an open-gradient magnetic separator capable of reducing the RBC number concentration a hundred-fold in 1 mL whole blood per hour. - Highlights: • Simple geometry of commercial, off-the-shelf NdFeB magnet blocks is amenable to generate high fields and open gradients. • Periodic pattern of permanent magnet blocks (tessellation) reduces the number of blocks per separation channel and improves the efficiency of separator design. • Split-flow lateral transport thin (SPLITT) fractionation model predicts 100-fold reduction of red blood cells from 1 mL whole blood sample in 1 h, suitable for laboratory medicine applications.

  6. Tessellated permanent magnet circuits for flow-through, open gradient separations of weakly magnetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Moore, Lee R. [Department of Biomedical Engineering, Cleveland Clinic, 9500 Euclid Ave., Cleveland OH 44195 (United States); Williams, P. Stephen [Cambrian Technologies, Inc., Cleveland, OH (United States); Chalmers, Jeffrey J. [William G. Lowrie Department of Chemical and Biomedical Engineering, The Ohio State University, Columbus 151 W. Woodruff Avenue, OH 43210 (United States); Zborowski, Maciej, E-mail: zborowm@ccf.org [Department of Biomedical Engineering, Cleveland Clinic, 9500 Euclid Ave., Cleveland OH 44195 (United States)

    2017-04-01

    Emerging microfluidic-based cell assays favor label-free red blood cell (RBC) depletion. Magnetic separation of RBC is possible because of the paramagnetism of deoxygenated hemoglobin but the process is slow for open-gradient field configurations. In order to increase the throughput, periodic arrangements of the unit magnets were considered, consisting of commercially available Nd-Fe-B permanent magnets and soft steel flux return pieces. The magnet design is uniquely suitable for multiplexing by magnet tessellation, here meaning the tiling of the magnet assembly cross-sectional plane by periodic repetition of the magnet and the flow channel shapes. The periodic pattern of magnet magnetizations allows a reduction of the magnetic material per channel with minimal distortion of the field cylindrical symmetry inside the magnet apertures. A number of such magnet patterns are investigated for separator performance, size and economy with the goal of designing an open-gradient magnetic separator capable of reducing the RBC number concentration a hundred-fold in 1 mL whole blood per hour. - Highlights: • Simple geometry of commercial, off-the-shelf NdFeB magnet blocks is amenable to generate high fields and open gradients. • Periodic pattern of permanent magnet blocks (tessellation) reduces the number of blocks per separation channel and improves the efficiency of separator design. • Split-flow lateral transport thin (SPLITT) fractionation model predicts 100-fold reduction of red blood cells from 1 mL whole blood sample in 1 h, suitable for laboratory medicine applications.

  7. Gradient material model in analysis of mechanical joints of CFRP laminate

    Science.gov (United States)

    Puchała, Krzysztof; ElŻbieta, Szymczyk; Jachimowicz, Jerzy; Bogusz, Paweł

    2018-01-01

    Mechanical joints (e.g. bolted) used for decades are proved to be reliable. They can be assembled and applied in very rough conditions since they are less sensitive to environmental effects than other types of joints (e.g. adhesive). Therefore, they are still employed in aircraft design. High specific stiffness and strength of composite materials (especially CFRP) cause a continuous increase in their usage in aircraft structures. In general, composites are brittle materials and more notch sensitive than metal alloys. Hole making is a necessary stage in manufacturing of a mechanical joint. Holes vicinities are the areas of high stress concentrations and determine load capability of the whole structure. Therefore, mechanical joints of composite parts require a special focus during both a designing and a manufacturing process. The aim of the paper is analysis of potential local material weakness/deterioration caused by a drilling process and its influence on the global response of a mechanical joint. The specimen in the form of a double-shear joint was analyzed. The weakened areas were identified on the basis of NDT ultrasonic analysis. A simple gradient material model was proposed to describe the hole vicinity. Numerical simulations were performed and compared to experimental results.

  8. Bioinspired large-scale aligned porous materials assembled with dual temperature gradients.

    Science.gov (United States)

    Bai, Hao; Chen, Yuan; Delattre, Benjamin; Tomsia, Antoni P; Ritchie, Robert O

    2015-12-01

    Natural materials, such as bone, teeth, shells, and wood, exhibit outstanding properties despite being porous and made of weak constituents. Frequently, they represent a source of inspiration to design strong, tough, and lightweight materials. Although many techniques have been introduced to create such structures, a long-range order of the porosity as well as a precise control of the final architecture remain difficult to achieve. These limitations severely hinder the scale-up fabrication of layered structures aimed for larger applications. We report on a bidirectional freezing technique to successfully assemble ceramic particles into scaffolds with large-scale aligned, lamellar, porous, nacre-like structure and long-range order at the centimeter scale. This is achieved by modifying the cold finger with a polydimethylsiloxane (PDMS) wedge to control the nucleation and growth of ice crystals under dual temperature gradients. Our approach could provide an effective way of manufacturing novel bioinspired structural materials, in particular advanced materials such as composites, where a higher level of control over the structure is required.

  9. Melanin-Based Functional Materials

    Directory of Open Access Journals (Sweden)

    Marco d’Ischia

    2018-01-01

    Full Text Available Melanin biopolymers are currently the focus of growing interest for a broad range of applications at the cutting edge of biomedical research and technology. This Special Issue presents a collection of papers dealing with melanin-type materials, e.g., polydopamine, for classic and innovative applications, offering a stimulating perspective of current trends in the field. Besides basic scientists, the Special Issue is directed to researchers from industries and companies that are willing to invest in melanin research for innovative and inspiring solutions.

  10. Functional Materials Produced On An Industrial Scale

    Directory of Open Access Journals (Sweden)

    Barska Justyna

    2015-08-01

    Full Text Available The article presents a wide range of applications of functional materials and a scale of their current industrial production. These are the materials which have specific characteristics, thanks to which they became virtually indispensable in certain constructional solutions. Their basic characteristics, properties, methods of production and use as smart materials were described.

  11. Magnetism and Structure in Functional Materials

    CERN Document Server

    Planes, Antoni; Saxena, Avadh

    2005-01-01

    Magnetism and Structure in Functional Materials addresses three distinct but related topics: (i) magnetoelastic materials such as magnetic martensites and magnetic shape memory alloys, (ii) the magnetocaloric effect related to magnetostructural transitions, and (iii) colossal magnetoresistance (CMR) and related magnanites. The goal is to identify common underlying principles in these classes of materials that are relevant for optimizing various functionalities. The emergence of apparently different magnetic/structural phenomena in disparate classes of materials clearly points to a need for common concepts in order to achieve a broader understanding of the interplay between magnetism and structure in this general class of new functional materials exhibiting ever more complex microstructure and function. The topic is interdisciplinary in nature and the contributors correspondingly include physicists, materials scientists and engineers. Likewise the book will appeal to scientists from all these areas.

  12. Total scattering of disordered crystalline functional materials

    International Nuclear Information System (INIS)

    Shamoto, Shin-Ichi; Kodama, Katsuaki; Iikubo, Satoshi; Taguchi, Tomitsugu

    2009-01-01

    There are disorders in some modern functional materials. As an example, the crystalline phase of an optical recording material has low thermal conductivity but high electrical conductivity, simultaneously. This contradiction is a challenge to material scientists in designing good functional materials, which should have at least two types of crystallographic sites. One site limits thermal conductivity while the other site carries electrons or holes with high mobility. This problem exists with not only optical recording materials but also thermoelectric materials. The periodic boundary condition gets lost in the disordered parts. This therefore, makes atomic pair distribution function (PDF) analysis with a wide range of real space suitable for investigating the form and size of crystalline parts as well as disordered parts in the material. Pulsed neutron powder diffraction is one of the best tools for use in this new type of emerging research, together with synchrotron X-ray powder diffraction and electron diffraction.

  13. Fabrication and characteristics of alumina-iron functionally graded materials

    DEFF Research Database (Denmark)

    He, Zeming; Ma, J.; Tan, G.E.B.

    2009-01-01

    . The microstructure and the composition of the prepared component were studied, and its flexural strength, fracture toughness, and fracture energy were tested and evaluated. The relative density and the Vickers hardness of each layer in the graded material were also measured. The correlation between microstructure...... and composition and mechanical properties was discussed. Flat, crack-free, and relatively high-density gradient components were obtained from this work. Compared to monolithic alumina ceramic, the remarkable improvement on fracture toughness and fracture energy of the investigated graded material system......In the present work, five-layered alumina–iron functionally graded materials (FGMs) were fabricated via a simple route of die pressing and pressureless sintering. The shrinkage differences among the layers in the FGM were minimized by particle size selection and processing control...

  14. Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients

    Energy Technology Data Exchange (ETDEWEB)

    Ringholm, Magnus; Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø – The Arctic University of Norway, 9037 Tromsø (Norway); Bast, Radovan [Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, AlbaNova University Center, S-10691 Stockholm (Sweden); PDC Center for High Performance Computing, Royal Institute of Technology, S-10044 Stockholm (Sweden); Oggioni, Luca [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø – The Arctic University of Norway, 9037 Tromsø (Norway); Department of Physics G. Occhialini, University of Milano Bicocca, Piazza della scienza 3, 20126 Milan (Italy); Ekström, Ulf [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo (Norway)

    2014-10-07

    We present the first analytic calculations of the geometrical gradients of the first hyperpolarizability tensors at the density-functional theory (DFT) level. We use the analytically calculated hyperpolarizability gradients to explore the importance of electron correlation effects, as described by DFT, on hyper-Raman spectra. In particular, we calculate the hyper-Raman spectra of the all-trans and 11-cis isomers of retinal at the Hartree-Fock (HF) and density-functional levels of theory, also allowing us to explore the sensitivity of the hyper-Raman spectra on the geometrical characteristics of these structurally related molecules. We show that the HF results, using B3LYP-calculated vibrational frequencies and force fields, reproduce the experimental data for all-trans-retinal well, and that electron correlation effects are of minor importance for the hyper-Raman intensities.

  15. Novel functional magnetic materials fundamentals and applications

    CERN Document Server

    2016-01-01

    This book presents current research on advanced magnetic materials and multifunctional composites. Recent advances in technology and engineering have resulted from the development of advanced magnetic materials with improved functional magnetic and magneto-transport properties. Certain industrial sectors, such as magnetic sensors, microelectronics, and security, demand cost-effective materials with reduced dimensionality and desirable magnetic properties such as enhanced magnetic softness, giant magnetic field sensitivity, and large magnetocaloric effect.  Expert chapters present the most up-to-date information on the fabrication process, processing, tailoring of properties, and applications of different families of modern functional materials for advanced smart applications. Topics covered include novel magnetic materials and applications; amorphous and nanocrystalline magnetic materials and applications; hard magnetic materials; magnetic shape memory alloys; and magnetic oxides. The book's highly interdis...

  16. Steepest descent with momentum for quadratic functions is a version of the conjugate gradient method.

    Science.gov (United States)

    Bhaya, Amit; Kaszkurewicz, Eugenius

    2004-01-01

    It is pointed out that the so called momentum method, much used in the neural network literature as an acceleration of the backpropagation method, is a stationary version of the conjugate gradient method. Connections with the continuous optimization method known as heavy ball with friction are also made. In both cases, adaptive (dynamic) choices of the so called learning rate and momentum parameters are obtained using a control Liapunov function analysis of the system.

  17. Thermoelectric properties of high electron concentration materials under large temperature gradients

    International Nuclear Information System (INIS)

    Bulat, L.P.; Stefansky, V.A.

    1994-01-01

    Theoretical methods of investigating of transport properties in solids under large temperature gradients are grounded. The nonlinear and non-local expressions for current density and heat flow are obtained with degenerated of current carriers gas. A number of new effects with large temperature gradients have been tested. Use of large temperature gradients leads to the increasing of the thermoelectric figure of merit. copyright 1995 American Institute of Physics

  18. Functional diversity supports the physiological tolerance hypothesis for plant species richness along climatic gradients

    Science.gov (United States)

    Spasojevic, Marko J.; Grace, James B.; Harrison, Susan; Damschen, Ellen Ingman

    2013-01-01

    1. The physiological tolerance hypothesis proposes that plant species richness is highest in warm and/or wet climates because a wider range of functional strategies can persist under such conditions. Functional diversity metrics, combined with statistical modeling, offer new ways to test whether diversity-environment relationships are consistent with this hypothesis. 2. In a classic study by R. H. Whittaker (1960), herb species richness declined from mesic (cool, moist, northerly) slopes to xeric (hot, dry, southerly) slopes. Building on this dataset, we measured four plant functional traits (plant height, specific leaf area, leaf water content and foliar C:N) and used them to calculate three functional diversity metrics (functional richness, evenness, and dispersion). We then used a structural equation model to ask if ‘functional diversity’ (modeled as the joint responses of richness, evenness, and dispersion) could explain the observed relationship of topographic climate gradients to species richness. We then repeated our model examining the functional diversity of each of the four traits individually. 3. Consistent with the physiological tolerance hypothesis, we found that functional diversity was higher in more favorable climatic conditions (mesic slopes), and that multivariate functional diversity mediated the relationship of the topographic climate gradient to plant species richness. We found similar patterns for models focusing on individual trait functional diversity of leaf water content and foliar C:N. 4. Synthesis. Our results provide trait-based support for the physiological tolerance hypothesis, suggesting that benign climates support more species because they allow for a wider range of functional strategies.

  19. Characterization of the Diamond-like Carbon Based Functionally Gradient Film

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Diamond-like carbon coatings have been used as solid lubricating coatings in vacuum technology for their goodphysical and chemical properties. In this paper, the hybrid technique of unbalanced magnetron sputtering and plasmaimmersion ion implantation (PIll) was adopted to fabricate diamond-like carbon-based functionally gradient film,N/TiN/Ti(N,C)/DLC, on the 304 stainless steel substrate. The film was characterized by using Raman spectroscopyand glancing X-ray diffraction (GXRD), and the topography and surface roughness of the film was observed usingAFM. The mechanical properties of the film were evaluated by nano-indentation. The results showed that the surfaceroughness of the film was approximately 0.732 nm. The hardness and elastic modulus, fracture toughness andinterfacial fracture toughness of N/TiN/Ti(N,C)/DLC functionally gradient film were about 19.84 GPa, 190.03 GPa,3.75 MPa.m1/2 and 5.68 MPa@m1/2, respectively. Compared with that of DLC monolayer and C/TiC/DLC multilayer,this DLC gradient film has better qualities as a solid lubricating coating.

  20. Orientations of Liquid Crystals in Contact with Surfaces that Present Continuous Gradients of Chemical Functionality

    International Nuclear Information System (INIS)

    Clare, B.; Efimenko, K.; Fischer, D.; Genzer, J.; Abbott, N.

    2006-01-01

    We report the formation of continuous spatial gradients in the density of grafted semifluorinated chains on silicon oxide surfaces by vapor-phase diffusion of semifluorinated silanes. We quantify the orientations of the nematic liquid crystal (LC) 4-cyano-4'-pentylbiphenyl on these surfaces as a function of local surface composition obtained by using NEXAFS. These measurements demonstrate that it is possible to obtain the full range of tilt angles of a LC on these surfaces. We also use the data provided by these gradient surfaces to test hypotheses regarding the nature of the interaction between the LC and surfaces that give rise to the range of tilted orientations of the LC. We conclude that the orientations of the LC are not determined solely by the density of grafted semifluorinated chains or by the density of residual hydroxyl groups presented at these surfaces following reactions with the silanes. Instead, our results raise the possibility that the tilt angles of the semifluorinated chains on these surfaces (which are a function of the density of the grafted chains) may influence the orientation of the LC. These results, when combined, demonstrate the potential utility of gradient surfaces for screening surface chemistries that achieve desired orientations of LCs as well as for rapidly assembling experimental data sets that can be used to test propositions regarding mechanisms of anchoring LCs at surfaces

  1. First-row diatomics: Calculation of the geometry and energetics using self-consistent gradient-functional approximations

    International Nuclear Information System (INIS)

    Kutzler, F.W.; Painter, G.S.

    1992-01-01

    A fully self-consistent series of nonlocal (gradient) density-functional calculations has been carried out using the augmented-Gaussian-orbital method to determine the magnitude of gradient corrections to the potential-energy curves of the first-row diatomics, Li 2 through F 2 . Both the Langreth-Mehl-Hu and the Perdew-Wang gradient-density functionals were used in calculations of the binding energy, bond length, and vibrational frequency for each dimer. Comparison with results obtained in the local-spin-density approximation (LSDA) using the Vosko-Wilk-Nusair functional, and with experiment, reveals that bond lengths and vibrational frequencies are rather insensitive to details of the gradient functionals, including self-consistency effects, but the gradient corrections reduce the overbinding commonly observed in the LSDA calculations of first-row diatomics (with the exception of Li 2 , the gradient-functional binding-energy error is only 50--12 % of the LSDA error). The improved binding energies result from a large differential energy lowering, which occurs in open-shell atoms relative to the diatomics. The stabilization of the atom arises from the use of nonspherical charge and spin densities in the gradient-functional calculations. This stabilization is negligibly small in LSDA calculations performed with nonspherical densities

  2. The shape gradient of the least-squares objective functional in optimal shape design problems of radiative heat transfer

    International Nuclear Information System (INIS)

    Rukolaine, Sergey A.

    2010-01-01

    Optimal shape design problems of steady-state radiative heat transfer are considered. The optimal shape design problem (in the three-dimensional space) is formulated as an inverse one, i.e., in the form of an operator equation of the first kind with respect to a surface to be optimized. The operator equation is reduced to a minimization problem via a least-squares objective functional. The minimization problem has to be solved numerically. Gradient minimization methods need the gradient of a functional to be minimized. In this paper the shape gradient of the least-squares objective functional is derived with the help of the shape sensitivity analysis and adjoint problem method. In practice a surface to be optimized may be (or, most likely, is to be) given in a parametric form by a finite number of parameters. In this case the objective functional is, in fact, a function in a finite-dimensional space and the shape gradient becomes an ordinary gradient. The gradient of the objective functional, in the case that the surface to be optimized is given in a finite-parametric form, is derived from the shape gradient. A particular case, that a surface to be optimized is a 'two-dimensional' polyhedral one, is considered. The technique, developed in the paper, is applied to a synthetic problem of designing a 'two-dimensional' radiant enclosure.

  3. Residual stress analysis on materials with steep stress gradient by using X-ray incidence at higher angles

    International Nuclear Information System (INIS)

    Ohya, Shin-ichi; Yoshioka, Yasuo; Maeno, Shigeki

    1996-01-01

    X-ray stress measurements for isotropic polycrystalline are materials are usually carried out by the sin 2 ψ method under the assumption of no stress gradient in X-ray penetration depth. When a steep stress gradient exists in the vicinity of surface layer, however, non-linear sin 2 ψ relation is observed and the sin 2 ψ method cannot be applied on such cases. Although several X-ray stress analyzers have been developed for materials with steep stress gradient in the surface layer, it is desirable to use diffraction data at higher incident angles of ψ 0 as possible as close on 90 degrees in order to determine the both values of surface stress and stress gradient with high accuracy. In the present study, an X-ray stress analyzer based on Ω geometry was fabricated to enable X-ray incidence at higher angle of ψ 0 . The X-ray detector was positioned on -η side against X-ray incident beam. Both of the residual surface stress and stress gradient were determined by use of the COSψ method on shot-peened steel and silicon nitride specimens. This prototype stress analyzer was found effective to perform a biaxial or triaxial stress analysis. (author)

  4. Variance gradients and uncertainty budgets for nonlinear measurement functions with independent inputs

    International Nuclear Information System (INIS)

    Campanelli, Mark; Kacker, Raghu; Kessel, Rüdiger

    2013-01-01

    A novel variance-based measure for global sensitivity analysis, termed a variance gradient (VG), is presented for constructing uncertainty budgets under the Guide to the Expression of Uncertainty in Measurement (GUM) framework for nonlinear measurement functions with independent inputs. The motivation behind VGs is the desire of metrologists to understand which inputs' variance reductions would most effectively reduce the variance of the measurand. VGs are particularly useful when the application of the first supplement to the GUM is indicated because of the inadequacy of measurement function linearization. However, VGs reduce to a commonly understood variance decomposition in the case of a linear(ized) measurement function with independent inputs for which the original GUM readily applies. The usefulness of VGs is illustrated by application to an example from the first supplement to the GUM, as well as to the benchmark Ishigami function. A comparison of VGs to other available sensitivity measures is made. (paper)

  5. Microbial community composition and functions are resilient to metal pollution along two forest soil gradients.

    Science.gov (United States)

    Azarbad, Hamed; Niklińska, Maria; Laskowski, Ryszard; van Straalen, Nico M; van Gestel, Cornelis A M; Zhou, Jizhong; He, Zhili; Wen, Chongqing; Röling, Wilfred F M

    2015-01-01

    Despite the global importance of forests, it is virtually unknown how their soil microbial communities adapt at the phylogenetic and functional level to long-term metal pollution. Studying 12 sites located along two distinct gradients of metal pollution in Southern Poland revealed that functional potential and diversity (assessed using GeoChip 4.2) were highly similar across the gradients despite drastically diverging metal contamination levels. Metal pollution level did, however, significantly impact bacterial community structure (as shown by MiSeq Illumina sequencing of 16S rRNA genes), but not bacterial taxon richness and community composition. Metal pollution caused changes in the relative abundance of specific bacterial taxa, including Acidobacteria, Actinobacteria, Bacteroidetes, Chloroflexi, Firmicutes, Planctomycetes and Proteobacteria. Also, a group of metal-resistance genes showed significant correlations with metal concentrations in soil. Our study showed that microbial communities are resilient to metal pollution; despite differences in community structure, no clear impact of metal pollution levels on overall functional diversity was observed. While screens of phylogenetic marker genes, such as 16S rRNA genes, provide only limited insight into resilience mechanisms, analysis of specific functional genes, e.g. involved in metal resistance, appears to be a more promising strategy. © FEMS 2014. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  6. Fungal Communities and Functional Guilds Shift Along an Elevational Gradient in the Southern Appalachian Mountains.

    Science.gov (United States)

    Veach, Allison M; Stokes, C Elizabeth; Knoepp, Jennifer; Jumpponen, Ari; Baird, Richard

    2017-12-04

    Nitrogen deposition alters forest ecosystems particularly in high elevation, montane habitats where nitrogen deposition is greatest and continues to increase. We collected soils across an elevational (788-1940 m) gradient, encompassing both abiotic (soil chemistry) and biotic (vegetation community) gradients, at eight locations in the southern Appalachian Mountains of southwestern North Carolina and eastern Tennessee. We measured soil chemistry (total N, C, extractable PO 4 , soil pH, cation exchange capacity [ECEC], percent base saturation [% BS]) and dissected soil fungal communities using ITS2 metabarcode Illumina MiSeq sequencing. Total soil N, C, PO 4 , % BS, and pH increased with elevation and plateaued at approximately 1400 m, whereas ECEC linearly increased and C/N decreased with elevation. Fungal communities differed among locations and were correlated with all chemical variables, except PO 4 , whereas OTU richness increased with total N. Several ecological guilds (i.e., ectomycorrhizae, saprotrophs, plant pathogens) differed in abundance among locations; specifically, saprotroph abundance, primarily attributable to genus Mortierella, was positively correlated with elevation. Ectomycorrhizae declined with total N and soil pH and increased with total C and PO 4 where plant pathogens increased with total N and decreased with total C. Our results demonstrate significant turnover in taxonomic and functional fungal groups across elevational gradients which facilitate future predictions on forest ecosystem change in the southern Appalachians as nitrogen deposition rates increase and regional temperature and precipitation regimes shift.

  7. Thermal cyclic oxidation behavior of the developed compositionally gradient graphite material of SiC/C in air environment

    International Nuclear Information System (INIS)

    Nakano, Junichi; Fujii, Kimio; Shindo, Masami

    1993-08-01

    For the developed compositionally gradient graphite material composed of surface SiC coating layer, middle SiC/C layer and graphite matrix, the thermal cyclic oxidation test was performed together with two kinds of the SiC coated graphite materials in air environment. It was made clear that the developed material exhibited high performance under severe thermal cyclic condition independent of the morphology of middle SiC/C layers and had the longer time or the more cycle margins from crack initiation to failure for surface SiC coating layer compared with the SiC coated graphite materials. (author)

  8. Functionalized SBA-15 materials for bilirubin adsorption

    Science.gov (United States)

    Tang, Tao; Zhao, Yanling; Xu, Yao; Wu, Dong; Xu, Jun; Deng, Feng

    2011-05-01

    To investigate the driving force for bilirubin adsorption on mesoporous materials, a comparative study was carried out between pure siliceous SBA-15 and three functionalized SBA-15 mesoporous materials: CH 3-SBA-15 (MS), NH 2-SBA-15 (AS), and CH 3/NH 2-SBA-15 (AMS) that were synthesized by one-pot method. The obtained materials exhibited large surface areas (553-810 m 2/g) and pore size (6.6-7.1 nm) demonstrated by XRD and N 2-ad/desorption analysis. The SEM images showed that the materials had similar fiberlike morphology. The functionalization extent was calculated according to 29Si MAS NMR spectra and it was close to the designed value (10%). The synthesized mesoporous materials were used as bilirubin adsorbents and showed higher bilirubin adsorption capacities than the commercial active carbon. The adsorption capacities of amine functionalized samples AMS and AS were larger than those of pure siliceous SBA-15 and MS, indicating that electrostatic interaction was the dominant driving force for bilirubin adsorption on mesoporous materials. Increasing the ionic strength of bilirubin solution by adding NaCl would decrease the bilirubin adsorption capacity of mesoporous material, which further demonstrated that the electrostatic interaction was the dominant driving force for bilirubin adsorption. In addition, the hydrophobic interaction provided by methyl groups could promote the bilirubin adsorption.

  9. Molecular designing of nanoparticles and functional materials

    Directory of Open Access Journals (Sweden)

    Ignjatović Nenad L.

    2017-01-01

    Full Text Available The interdisciplinary research team implemented the program titled “Molecular designing of nanoparticles with controlled morphological and physicochemical characteristics and functional materials based on them” (MODENAFUNA, between 2011 and 2016, gaining new knowledge significant to the further improvement of nanomaterials and nanotechnologies. It gathered under its umbrella six main interrelated topics pertaining to the design and control of morphological and physicochemical properties of nanoparticles and functional material based on them using new methods of synthesis and processing: 1 inorganic nanoparticles, 2 cathode materials for lithium-ion batteries, 3 functional ceramics with improved electrical and optical properties, 4 full density nanostructured calcium phosphate and functionally-graded materials, 5 nano-calcium phosphate in bone tissue engineering and 6 biodegradable micro- and nano-particles for the controlled delivery of medicaments. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. III45004: Molecular designing of nanoparticles with controlled morphological and physicochemical characteristics and functional materials based on them

  10. Electrogelation of Biopolymers for New Functional Materials

    Science.gov (United States)

    2013-08-31

    TERMS silk , materials, electrogelation, egeJ.. biopolymers , tropoelastin 1.8. SECURITY CLASSIFICATION OF: 17. UMITATION OF a. REPORT b. ABSTRACT c...additional biopolymers with utility to exploit the egel process. We have focused on the silk and tropoelastin systems due to our ability to genetically...of Biopolymers for New Functional Materials 5b. GRANT NUMBER FA9550-10-1-0172 Sc. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER Kaplan

  11. Fracture Analysis of Functionally Graded Materials

    International Nuclear Information System (INIS)

    Zhang, Ch.; Gao, X. W.; Sladek, J.; Sladek, V.

    2010-01-01

    This paper reports our recent research works on crack analysis in continuously non-homogeneous and linear elastic functionally graded materials. A meshless boundary element method is developed for this purpose. Numerical examples are presented and discussed to demonstrate the efficiency and the accuracy of the present numerical method, and to show the effects of the material gradation on the crack-opening-displacements and the stress intensity factors.

  12. Simultaneous loss of soil biodiversity and functions along a copper contamination gradient

    DEFF Research Database (Denmark)

    Naveed, Muhammad; Moldrup, Per; Arthur, Emmanuel

    2014-01-01

    and associated soil functions is limited. Here, we quantified an array of soil biological constituents (plants, earthworms, nematodes, bacteria, and fungi) to explore their interactions and to characterize their influence on various soil functions (habitat for soil organisms, air and water regulation......The impact of biodiversity loss on soil functions is well established via laboratory experiments that generally consider soil biota groups in isolation from each other, a condition rarely present in field soils. As a result, our knowledge about anthropogenic induced changes in biodiversity......, and recycling of nutrients and organic waste) along a legacy copper (Cu) pollution gradient. Increasing Cu concentrations had detrimental impact on both plant growth and species richness. Belowground soil biota showed similar response with their sensitivity to elevated Cu concentrations decreasing...

  13. Full Waveform Inversion Using an Energy-Based Objective Function with Efficient Calculation of the Gradient

    KAUST Repository

    Choi, Yun Seok

    2017-05-26

    Full waveform inversion (FWI) using an energy-based objective function has the potential to provide long wavelength model information even without low frequency in the data. However, without the back-propagation method (adjoint-state method), its implementation is impractical for the model size of general seismic survey. We derive the gradient of the energy-based objective function using the back-propagation method to make its FWI feasible. We also raise the energy signal to the power of a small positive number to properly handle the energy signal imbalance as a function of offset. Examples demonstrate that the proposed FWI algorithm provides a convergent long wavelength structure model even without low-frequency information, which can be used as a good starting model for the subsequent conventional FWI.

  14. Gradient field echo imaging and Gd-DTPA for the assessment of renal function in humans

    International Nuclear Information System (INIS)

    Von Schulthess, G.K.; Kikinis, R.; Durr, R.; Bino, M.; Jager, P.; Kubler, O.

    1986-01-01

    To evaluate renal parenchymal function, 1.5 T gradient field echo imaging using a sequence of repetitive 10-second scans was performed in apneic patients after injection of Gd-DTPA (0.1 mmol/kg body weight). During the 10-second pauses the patients were allowed to breathe. Angled coronal images (TR=40 msec, TE =20 msec, flip angle = 40 0 ) were obtained in four volunteers and four patients with hydronephrosis. Image quality was excellent, suggesting unprecedented spatial resolution for renal function studies. Initially, cortical perfusion was observed. Then the papilae became isointense; after 70 seconds they became hypointense; and finally the renal pelvic signal dropped. No papillary signal drop was seen in hydronephrosis, as confirmed by region-of-interest analysis. These results strongly suggest that in MR renal ''function'' studies with Gd-DTPA, T1 and T2 paramagnetic effects are operative

  15. Gradient flow for the one-dimensional Mumford-Shah functional

    International Nuclear Information System (INIS)

    Gobbino, M.

    1998-01-01

    In order to introduce a notion of gradient flow for the one-dimensional Mumford-Shah functional M S(u), the article considers a family {F hatε} of regular functionals, defined in spaces of piecewise constant functions, which converge in a variational sense to M S(u). Moreover, given an initial datum U 0 , with M S(u 0 ) 0ε } of piecewise constant approximations of u 0 , the evolution problems are considered. For large classes of initial data, the family {u ε (t)} converges, as ε→0 + , to a certain u(t), which is the solution of the heat equation with homogeneous Neumann boundary conditions in a suitable variable domain. On the other hand, for some special u 0 , the family {u ε (t)} has infinitely many limit points as ε→0 +

  16. Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme.

    Science.gov (United States)

    Li, Shaohong L; Truhlar, Donald G

    2015-07-14

    Time-dependent density functional theory (TDDFT) with conventional local and hybrid functionals such as the local and hybrid generalized gradient approximations (GGA) seriously underestimates the excitation energies of Rydberg states, which limits its usefulness for applications such as spectroscopy and photochemistry. We present here a scheme that modifies the exchange-enhancement factor to improve GGA functionals for Rydberg excitations within the TDDFT framework while retaining their accuracy for valence excitations and for the thermochemical energetics calculated by ground-state density functional theory. The scheme is applied to a popular hybrid GGA functional and tested on data sets of valence and Rydberg excitations and atomization energies, and the results are encouraging. The scheme is simple and flexible. It can be used to correct existing functionals, and it can also be used as a strategy for the development of new functionals.

  17. Porous materials with gradient and biporous structure, methods of their production

    International Nuclear Information System (INIS)

    Ilyuschenko, A.; Savich, V.; Pilinevich, L.; Rak, A.

    2001-01-01

    We have worked out the technology of production porous powder materials (PPMs) of bronze, nickel, corrosion resistant steel and titanium powders with gradient and (or) biporous structure: vibrating forming of metal powders (including in electromagnetic field); layer-by-layer forming of metal powders with pore-maker while different proportion of the latter in the layer; forming of powder polymer layer on the preliminary sintered metal PPM surface. We have worked out the technology of production biporous structure by the following methods: metal granules forming and sintering; forming and sintering of metal powder with granules (2-3 mm) and pores-forming powder (size of particles is 0,4-0,63 mm). The novelty is in creation of technological bases of pores sizes regulation from 5 mkm on one PPM surface to 120 mkm on the opposite PPM surface which thickness can be 2-6 mm. PPM porosity can be constant within 0,3-0,6 relative units. More effective are those PPM which pores sizes are changeable and also porosity (from 0,35 to 0,60) from one surface o the opposite one. Two-layer metal-polymer PPM have pores sizes of 20-40 mkm in polymer layer and porosity 0,4-0,5 and, correspondingly, in metal layer 80-100 mkm and 0,45-0,55. In biporous structures made of 2-3 mm metal granules the distance between granules is 300-600 mkm and in granules - 14-30 mkm. The integral porosity of such PPM is 0,55-0,70. The technology of forming and sintering metal powder with granules and pores-making powder (carbamide) enables to regulate the integral porosity within 0,7-0,8 and average pores sizes within 100-1000 mkm with average size of metal powder particles of 0,63-1,0 mm. (author)

  18. Flow chemistry meets advanced functional materials.

    Science.gov (United States)

    Myers, Rebecca M; Fitzpatrick, Daniel E; Turner, Richard M; Ley, Steven V

    2014-09-22

    Flow chemistry and continuous processing techniques are beginning to have a profound impact on the production of functional materials ranging from quantum dots, nanoparticles and metal organic frameworks to polymers and dyes. These techniques provide robust procedures which not only enable accurate control of the product material's properties but they are also ideally suited to conducting experiments on scale. The modular nature of flow and continuous processing equipment rapidly facilitates reaction optimisation and variation in function of the products. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Advances in Functionalized Materials Research 2016

    International Nuclear Information System (INIS)

    Predoi, D.; Motelica-Heino, M.; Guegan, R.; Coustumer, L.Ph.

    2016-01-01

    In the last years, due to the rapid progress of technology, new materials at nano metric scale with special properties have become a flourishing field of research in materials science. The unique physicochemical properties of materials induced by various parameters such as mean size, shape, purity, crystallographic structure, and surface can generate effective solutions to challenging environmental and biomedical problems. As a result of this approach a large number of techniques were developed that enable obtaining novel materials at nano metric scale with specific and reproducible properties and parameters. Below will be highlighted studies on promising properties on the applicability of new materials that could lead to innovative applications in the medical field. Therefore, this special issue is focused on expected advances in the area of functionalized materials at nano metric scale. Due to multidisciplinarity of this topic, this special issue is comprised of a wide range of original research articles as well as review papers on the design and synthesis of functionalized nano materials, their structural, morphological, and biological characterization, and their potential uses in medical and environmental applications

  20. Canopy gradients in leaf functional traits for species that differ in growth strategies and shade tolerance.

    Science.gov (United States)

    Coble, Adam P; Fogel, Marilyn L; Parker, Geoffrey G

    2017-10-01

    In temperate deciduous forests, vertical gradients in leaf mass per area (LMA) and area-based leaf nitrogen (Narea) are strongly controlled by gradients in light availability. While there is evidence that hydrostatic constraints on leaf development may diminish LMA and Narea responses to light, inherent differences among tree species may also influence leaf developmental and morphological response to light. We investigated vertical gradients in LMA, Narea and leaf carbon isotope composition (δ13C) for three temperate deciduous species (Carpinus caroliniana Walter, Fagus grandifolia Ehrh., Liriodendron tulipifera L.) that differed in growth strategy (e.g., indeterminate and determinate growth), shade tolerance and leaf area to sapwood ratio (Al:As). Leaves were sampled across a broad range of light conditions within three vertical layers of tree crowns to maximize variation in light availability at each height and to minimize collinearity between light and height. All species displayed similar responses to light with respect to Narea and δ13C, but not for LMA. Light was more important for gradients in LMA for the shade-tolerant (C. caroliniana) and -intolerant (L. tulipifera) species with indeterminate growth, and height (e.g., hydrostatic gradients) and light were equally important for the shade-tolerant (F. grandifolia) species with determinate growth. Fagus grandifolia had a higher morphological plasticity in response to light, which may offer a competitive advantage in occupying a broader range of light conditions throughout the canopy. Differences in responses to light and height for the taller tree species, L. tulipifera and F. grandifolia, may be attributed to differences in growth strategy or Al:As, which may alter morphological and functional responses to light availability. While height was important in F. grandifolia, height was no more robust in predicting LMA than light in any of the species, confirming the strong role of light availability in

  1. Distribution of functional traits in subtropical trees across environmental and forest use gradients

    Science.gov (United States)

    Blundo, Cecilia; Malizia, Lucio R.; González-Espinosa, Mario

    2015-11-01

    The relationship between functional traits and environmental factors contribute to understanding community structure and predicting which species will be able to elude environmental filters in different habitats. We selected 10 functional traits related to morphology, demography and regeneration niche in 54 subtropical premontane tree species to describe their main axes of functional differentiation. We derived species traits, environmental variables and species abundance data from 20 1-ha permanent plots established in a seasonal subtropical premontane forest in northwestern Argentina. We analyzed the relationship between species functional traits and environmental factors through RLQ and fourth-corner analyzes. We found an axis of structural differentiation that segregates understory from canopy species, and an axis of functional differentiation that segregates species that maximize resource acquisition from those that promote resource conservation. Environmental and forest use gradients operate hierarchically over subtropical premontane tree species influencing the distribution of demographic and morphological traits. The interaction between climatic and topographic factors influences the distribution of species functional traits at the regional scale. In addition, the history of forest use seems to operate at the landscape scale and explains the distribution of species traits reflecting a trade-off between resource acquisition and resource conservation strategies in secondary forests across different successional stages. Our results support the idea that functional traits may be used to analyze community structure and dynamics through niche differentiation and environmental filtering processes.

  2. Functional, size and taxonomic diversity of fish along a depth gradient in the deep sea.

    Science.gov (United States)

    Mindel, Beth L; Neat, Francis C; Trueman, Clive N; Webb, Thomas J; Blanchard, Julia L

    2016-01-01

    Biodiversity is well studied in ecology and the concept has been developed to include traits of species, rather than solely taxonomy, to better reflect the functional diversity of a system. The deep sea provides a natural environmental gradient within which to study changes in different diversity metrics, but traits of deep-sea fish are not widely known, hampering the application of functional diversity to this globally important system. We used morphological traits to determine the functional richness and functional divergence of demersal fish assemblages along the continental slope in the Northeast Atlantic, at depths of 300-2,000 m. We compared these metrics to size diversity based on individual body size and species richness. Functional richness and size diversity showed similar patterns, with the highest diversity at intermediate depths; functional divergence showed the opposite pattern, with the highest values at the shallowest and deepest parts of the study site. Species richness increased with depth. The functional implications of these patterns were deduced by examining depth-related changes in morphological traits and the dominance of feeding guilds as illustrated by stable isotope analyses. The patterns in diversity and the variation in certain morphological traits can potentially be explained by changes in the relative dominance of pelagic and benthic feeding guilds. All measures of diversity examined here suggest that the deep areas of the continental slope may be equally or more diverse than assemblages just beyond the continental shelf.

  3. Functional, size and taxonomic diversity of fish along a depth gradient in the deep sea

    Directory of Open Access Journals (Sweden)

    Beth L. Mindel

    2016-09-01

    Full Text Available Biodiversity is well studied in ecology and the concept has been developed to include traits of species, rather than solely taxonomy, to better reflect the functional diversity of a system. The deep sea provides a natural environmental gradient within which to study changes in different diversity metrics, but traits of deep-sea fish are not widely known, hampering the application of functional diversity to this globally important system. We used morphological traits to determine the functional richness and functional divergence of demersal fish assemblages along the continental slope in the Northeast Atlantic, at depths of 300–2,000 m. We compared these metrics to size diversity based on individual body size and species richness. Functional richness and size diversity showed similar patterns, with the highest diversity at intermediate depths; functional divergence showed the opposite pattern, with the highest values at the shallowest and deepest parts of the study site. Species richness increased with depth. The functional implications of these patterns were deduced by examining depth-related changes in morphological traits and the dominance of feeding guilds as illustrated by stable isotope analyses. The patterns in diversity and the variation in certain morphological traits can potentially be explained by changes in the relative dominance of pelagic and benthic feeding guilds. All measures of diversity examined here suggest that the deep areas of the continental slope may be equally or more diverse than assemblages just beyond the continental shelf.

  4. Lateral Temperature-Gradient Method for High-Throughput Characterization of Material Processing by Millisecond Laser Annealing.

    Science.gov (United States)

    Bell, Robert T; Jacobs, Alan G; Sorg, Victoria C; Jung, Byungki; Hill, Megan O; Treml, Benjamin E; Thompson, Michael O

    2016-09-12

    A high-throughput method for characterizing the temperature dependence of material properties following microsecond to millisecond thermal annealing, exploiting the temperature gradients created by a lateral gradient laser spike anneal (lgLSA), is presented. Laser scans generate spatial thermal gradients of up to 5 °C/μm with peak temperatures ranging from ambient to in excess of 1400 °C, limited only by laser power and materials thermal limits. Discrete spatial property measurements across the temperature gradient are then equivalent to independent measurements after varying temperature anneals. Accurate temperature calibrations, essential to quantitative analysis, are critical and methods for both peak temperature and spatial/temporal temperature profile characterization are presented. These include absolute temperature calibrations based on melting and thermal decomposition, and time-resolved profiles measured using platinum thermistors. A variety of spatially resolved measurement probes, ranging from point-like continuous profiling to large area sampling, are discussed. Examples from annealing of III-V semiconductors, CdSe quantum dots, low-κ dielectrics, and block copolymers are included to demonstrate the flexibility, high throughput, and precision of this technique.

  5. Conjugate-gradient optimization method for orbital-free density functional calculations.

    Science.gov (United States)

    Jiang, Hong; Yang, Weitao

    2004-08-01

    Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient numerical methodology. In this paper, we developed a conjugate-gradient method for the numerical solution of spin-dependent extended Thomas-Fermi equation by incorporating techniques previously used in Kohn-Sham calculations. The key ingredient of the method is an approximate line-search scheme and a collective treatment of two spin densities in the case of spin-dependent extended Thomas-Fermi problem. Test calculations for a quartic two-dimensional quantum dot system and a three-dimensional sodium cluster Na216 with a local pseudopotential demonstrate that the method is accurate and efficient. (c) 2004 American Institute of Physics.

  6. Controls on plant functional surface cover types along a precipitation gradient in the Negev Desert of Israel

    NARCIS (Netherlands)

    Buis, E.; Veldkamp, A.; Boeken, B.; Breemen, van N.

    2009-01-01

    We studied the controls on functional surface cover types in four catchments along a semi-arid to arid precipitation gradient in the northern Negev Desert of Israel. First, we selected four functional types, based on their unique water use and redistribution functionality: shrubs, Asphodelus

  7. A comparison of density functional theory and coupled cluster methods for the calculation of electric dipole polarizability gradients of methane

    DEFF Research Database (Denmark)

    Paidarová, Ivana; Sauer, Stephan P. A.

    2012-01-01

    We have compared the performance of density functional theory (DFT) using five different exchange-correlation functionals with four coupled cluster theory based wave function methods in the calculation of geometrical derivatives of the polarizability tensor of methane. The polarizability gradient...

  8. The Biogeographic Pattern of Microbial Functional Genes along an Altitudinal Gradient of the Tibetan Pasture

    Directory of Open Access Journals (Sweden)

    Qi Qi

    2017-06-01

    Full Text Available As the highest place of the world, the Tibetan plateau is a fragile ecosystem. Given the importance of microbial communities in driving soil nutrient cycling, it is of interest to document the microbial biogeographic pattern here. We adopted a microarray-based tool named GeoChip 4.0 to investigate grassland microbial functional genes along an elevation gradient from 3200 to 3800 m above sea level open to free grazing by local herdsmen and wild animals. Interestingly, microbial functional diversities increase with elevation, so does the relative abundances of genes associated with carbon degradation, nitrogen cycling, methane production, cold shock and oxygen limitation. The range of Shannon diversities (10.27–10.58 showed considerably smaller variation than what was previously observed at ungrazed sites nearby (9.95–10.65, suggesting the important role of livestock grazing on microbial diversities. Closer examination showed that the dissimilarity of microbial community at our study sites increased with elevations, revealing an elevation-decay relationship of microbial functional genes. Both microbial functional diversity and the number of unique genes increased with elevations. Furthermore, we detected a tight linkage of greenhouse gas (CO2 and relative abundances of carbon cycling genes. Our biogeographic study provides insights on microbial functional diversity and soil biogeochemical cycling in Tibetan pastures.

  9. The Biogeographic Pattern of Microbial Functional Genes along an Altitudinal Gradient of the Tibetan Pasture

    Energy Technology Data Exchange (ETDEWEB)

    Qi, Qi; Zhao, Mengxin; Wang, Shiping; Ma, Xingyu; Wang, Yuxuan; Gao, Ying; Lin, Qiaoyan; Li, Xiangzhen; Gu, Baohua; Li, Guoxue; Zhou, Jizhong; Yang, Yunfeng

    2017-06-13

    As the highest place of the world, the Tibetan plateau is a fragile ecosystem. Given the importance of microbial communities in driving soil nutrient cycling, it is of interest to document the microbial biogeographic pattern here. We adopted a microarray-based tool named GeoChip 4.0 to investigate grassland microbial functional genes along an elevation gradient from 3200 to 3800 m above sea level open to free grazing by local herdsmen and wild animals. Interestingly, microbial functional diversities increase with elevation, so does the relative abundances of genes associated with carbon degradation, nitrogen cycling, methane production, cold shock and oxygen limitation. The range of Shannon diversities (10.27–10.58) showed considerably smaller variation than what was previously observed at ungrazed sites nearby (9.95–10.65), suggesting the important role of livestock grazing on microbial diversities. Closer examination showed that the dissimilarity of microbial community at our study sites increased with elevations, revealing an elevation-decay relationship of microbial functional genes. Both microbial functional diversity and the number of unique genes increased with elevations. Furthermore, we detected a tight linkage of greenhouse gas (CO2) and relative abundances of carbon cycling genes. Our biogeographic study provides insights on microbial functional diversity and soil biogeochemical cycling in Tibetan pastures.

  10. Modulation of monocytic leukemia cell function and survival by high gradient magnetic fields and mathematical modeling studies.

    Science.gov (United States)

    Zablotskii, Vitalii; Syrovets, Tatiana; Schmidt, Zoe W; Dejneka, Alexandr; Simmet, Thomas

    2014-03-01

    The influence of spatially modulated high gradient magnetic fields on cellular functions of human THP-1 leukemia cells is studied. We demonstrate that arrays of high-gradient micrometer-sized magnets induce i) cell swelling, ii) prolonged increased ROS production, and iii) inhibit cell proliferation, and iv) elicit apoptosis of THP-1 monocytic leukemia cells in the absence of chemical or biological agents. Mathematical modeling indicates that mechanical stress exerted on the cells by high magnetic gradient forces is responsible for triggering cell swelling and formation of reactive oxygen species followed by apoptosis. We discuss physical aspects of controlling cell functions by focused magnetic gradient forces, i.e. by a noninvasive and nondestructive physical approach. Copyright © 2014 Elsevier Ltd. All rights reserved.

  11. Mammalian engineers drive soil microbial communities and ecosystem functions across a disturbance gradient.

    Science.gov (United States)

    Eldridge, David J; Delgado-Baquerizo, Manuel; Woodhouse, Jason N; Neilan, Brett A

    2016-11-01

    The effects of mammalian ecosystem engineers on soil microbial communities and ecosystem functions in terrestrial ecosystems are poorly known. Disturbance from livestock has been widely reported to reduce soil function, but disturbance by animals that forage in the soil may partially offset these negative effects of livestock, directly and/or indirectly by shifting the composition and diversity of soil microbial communities. Understanding the role of disturbance from livestock and ecosystem engineers in driving soil microbes and functions is essential for formulating sustainable ecosystem management and conservation policies. We compared soil bacterial community composition and enzyme concentrations within four microsites: foraging pits of two vertebrates, the indigenous short-beaked echidna (Tachyglossus aculeatus) and the exotic European rabbit (Oryctolagus cuniculus), and surface and subsurface soils along a gradient in grazing-induced disturbance in an arid woodland. Microbial community composition varied little across the disturbance gradient, but there were substantial differences among the four microsites. Echidna pits supported a lower relative abundance of Acidobacteria and Cyanobacteria, but a higher relative abundance of Proteobacteria than rabbit pits and surface microsites. Moreover, these microsite differences varied with disturbance. Rabbit pits had a similar profile to the subsoil or the surface soils under moderate and high, but not low disturbance. Overall, echidna foraging pits had the greatest positive effect on function, assessed as mean enzyme concentrations, but rabbits had the least. The positive effects of echidna foraging on function were indirectly driven via microbial community composition. In particular, increasing activity was positively associated with increasing relative abundance of Proteobacteria, but decreasing Acidobacteria. Our study suggests that soil disturbance by animals may offset, to some degree, the oft-reported negative

  12. Avalanches in functional materials and geophysics

    CERN Document Server

    Saxena, Avadh; Planes, Antoni

    2017-01-01

    This book provides the state-of-the art of the present understanding of avalanche phenomena in both functional materials and geophysics. The main emphasis of the book is analyzing these apparently different problems within the common perspective of out-of-equilibrium phenomena displaying spatial and temporal complexity that occur in a broad range of scales. Many systems, when subjected to an external force, respond intermittently in the form of avalanches that often span over a wide range of sizes, energies and durations. This is often related to a class of critical behavior characterized by the absence of characteristic scales. Typical examples are magnetization processes, plastic deformation and failure occuring in functional materials. These phenomena share many similarities with seismicity arising from the earth crust failure due to stresses that originate from plate tectonics.

  13. Energy harvesting with functional materials and microsystems

    CERN Document Server

    Bhaskaran, Madhu; Iniewski, Krzysztof

    2013-01-01

    For decades, people have searched for ways to harvest energy from natural sources. Lately, a desire to address the issue of global warming and climate change has popularized solar or photovoltaic technology, while piezoelectric technology is being developed to power handheld devices without batteries, and thermoelectric technology is being explored to convert wasted heat, such as in automobile engine combustion, into electricity. Featuring contributions from international researchers in both academics and industry, Energy Harvesting with Functional Materials and Microsystems explains the growi

  14. Restoration of Liver Function and Portosystemic Pressure Gradient after TIPSS and Late TIPSS Occlusion

    International Nuclear Information System (INIS)

    Maedler, U.; Hansmann, J.; Duex, M.; Noeldge, G.; Sauer, P.; Richter, G.M.

    2002-01-01

    TIPSS (transjugular intrahepatic portosystemic shunt) may be indicated to control bleeding from esophageal and gastric varicose veins, to reduce ascites, and to treat patients with Budd-Chiari syndrome and veno-occlusive disease. Numerous measures to improve the safety and methodology of the procedure have helped to increase the technical and clinical success. Follow-up of TIPSS patients has revealed shunt stenosis to occur more often in patients with preserved liver function (Child A, Child B). In addition, the extent of liver cirrhosis is the main factor that determines prognosis in the long term. Little is known about the effects of TIPSS with respect to portosystemic hemodynamics. This report deals with a cirrhotic patient who stopped drinking 7 months prior to admission. He received TIPSS to control ascites and recurrent esophageal bleeding. Two years later remarkable hypertrophy of the left liver lobe and shunt occlusion was observed. The portosystemic pressure gradient dropped from 24 mmHg before TIPSS to 11 mmHg and remained stable after shunt occlusion. The Child's B cirrhosis prior to TIPSS turned into Child's A cirrhosis and remained stable during the follow-up period of 32 months. This indicates that liver function of TIPSS patients may recover due to hypertrophy of the remaining non-cirrhotic liver tissue. In addition the hepatic hemodynamics may return to normal. In conclusion, TIPSS cannot cure cirrhosis but its progress may be halted if the cause can be removed. This may result in a normal portosystemic gradient, leading consequently to shunt occlusion

  15. Functional diversity of benthic ciliate communities in response to environmental gradients in a wetland of Yangtze Estuary, China.

    Science.gov (United States)

    Xu, Yuan; Fan, Xinpeng; Warren, Alan; Zhang, Liquan; Xu, Henglong

    2018-02-01

    Researches on the functional diversity of benthic ecosystems have mainly focused on macrofauna, and studies on functional structure of ciliate communities have been based only on trophic- or size-groups. Current research was carried out on the changing patterns of classical and functional diversity of benthic ciliates in response to environmental gradients at three sites in a wetland in Yangtze Estuary. The results showed that changes of environmental factors (e.g. salinity, sediment grain size and hydrodynamic conditions) in the Yangtze Estuary induce variability in species composition and functional trait distribution. Furthermore, increased species richness and diversity did not lead to significant changes in functional diversity due to functional redundancy. However, salt water intrusion of Yangtze Estuary during the dry season could cause reduced functional diversity of ciliate communities. Current study provides the first insight into the functional diversity of ciliate communities in response to environmental gradients. Copyright © 2018 Elsevier Ltd. All rights reserved.

  16. Deorbitalization strategies for meta-generalized-gradient-approximation exchange-correlation functionals

    Science.gov (United States)

    Mejia-Rodriguez, Daniel; Trickey, S. B.

    2017-11-01

    We explore the simplification of widely used meta-generalized-gradient approximation (mGGA) exchange-correlation functionals to the Laplacian level of refinement by use of approximate kinetic-energy density functionals (KEDFs). Such deorbitalization is motivated by the prospect of reducing computational cost while recovering a strictly Kohn-Sham local potential framework (rather than the usual generalized Kohn-Sham treatment of mGGAs). A KEDF that has been rather successful in solid simulations proves to be inadequate for deorbitalization, but we produce other forms which, with parametrization to Kohn-Sham results (not experimental data) on a small training set, yield rather good results on standard molecular test sets when used to deorbitalize the meta-GGA made very simple, Tao-Perdew-Staroverov-Scuseria, and strongly constrained and appropriately normed functionals. We also study the difference between high-fidelity and best-performing deorbitalizations and discuss possible implications for use in ab initio molecular dynamics simulations of complicated condensed phase systems.

  17. Magnetic spectroscopy and microscopy of functional materials

    Energy Technology Data Exchange (ETDEWEB)

    Jenkins, Catherine Ann [Univ. of Mainz (Germany)

    2011-05-01

    Heusler intermetallics Mn2Y Ga and X2MnGa (X; Y =Fe, Co, Ni) undergo tetragonal magnetostructural transitions that can result in half metallicity, magnetic shape memory, or the magnetocaloric effect. Understanding the magnetism and magnetic behavior in functional materials is often the most direct route to being able to optimize current materials for todays applications and to design novel ones for tomorrow. Synchrotron soft x-ray magnetic spectromicroscopy techniques are well suited to explore the the competing effects from the magnetization and the lattice parameters in these materials as they provide detailed element-, valence-, and site-specifc information on the coupling of crystallographic ordering and electronic structure as well as external parameters like temperature and pressure on the bonding and exchange. Fundamental work preparing the model systems of spintronic, multiferroic, and energy-related compositions is presented for context. The methodology of synchrotron spectroscopy is presented and applied to not only magnetic characterization but also of developing a systematic screening method for future examples of materials exhibiting any of the above effects. The chapter progression is as follows: an introduction to the concepts and materials under consideration (Chapter 1); an overview of sample preparation techniques and results, and the kinds of characterization methods employed (Chapter 2); spectro- and microscopic explorations of X2MnGa/Ge (Chapter 3); spectroscopic investigations of the composition series Mn2Y Ga to the logical Mn3Ga endpoint (Chapter 4); and a summary and overview of upcoming work (Chapter 5). Appendices include the results of a Think Tank for the Graduate School of Excellence MAINZ (Appendix A) and details of an imaging project now in progress on magnetic reversal and domain wall observation in the classical Heusler material Co2FeSi (Appendix B).

  18. Non-Random Variability in Functional Composition of Coral Reef Fish Communities along an Environmental Gradient.

    Science.gov (United States)

    Plass-Johnson, Jeremiah G; Taylor, Marc H; Husain, Aidah A A; Teichberg, Mirta C; Ferse, Sebastian C A

    2016-01-01

    Changes in the coral reef complex can affect predator-prey relationships, resource availability and niche utilisation in the associated fish community, which may be reflected in decreased stability of the functional traits present in a community. This is because particular traits may be favoured by a changing environment, or by habitat degradation. Furthermore, other traits can be selected against because degradation can relax the association between fishes and benthic habitat. We characterised six important ecological traits for fish species occurring at seven sites across a disturbed coral reef archipelago in Indonesia, where reefs have been exposed to eutrophication and destructive fishing practices for decades. Functional diversity was assessed using two complementary indices (FRic and RaoQ) and correlated to important environmental factors (live coral cover and rugosity, representing local reef health, and distance from shore, representing a cross-shelf environmental gradient). Indices were examined for both a change in their mean, as well as temporal (short-term; hours) and spatial (cross-shelf) variability, to assess whether fish-habitat association became relaxed along with habitat degradation. Furthermore, variability in individual traits was examined to identify the traits that are most affected by habitat change. Increases in the general reef health indicators, live coral cover and rugosity (correlated with distance from the mainland), were associated with decreases in the variability of functional diversity and with community-level changes in the abundance of several traits (notably home range size, maximum length, microalgae, detritus and small invertebrate feeding and reproductive turnover). A decrease in coral cover increased variability of RaoQ while rugosity and distance both inversely affected variability of FRic; however, averages for these indices did not reveal patterns associated with the environment. These results suggest that increased

  19. 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

  20. 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.

  1. High Speed SPM of Functional Materials

    Energy Technology Data Exchange (ETDEWEB)

    Huey, Bryan D. [Univ. of Connecticut, Storrs, CT (United States)

    2015-08-14

    The development and optimization of applications comprising functional materials necessitates a thorough understanding of their static and dynamic properties and performance at the nanoscale. Leveraging High Speed SPM and concepts enabled by it, efficient measurements and maps with nanoscale and nanosecond temporal resolution are uniquely feasible. This includes recent enhancements for topographic, conductivity, ferroelectric, and piezoelectric properties as originally proposed, as well as newly developed methods or improvements to AFM-based mechanical, friction, thermal, and photoconductivity measurements. The results of this work reveal fundamental mechanisms of operation, and suggest new approaches for improving the ultimate speed and/or efficiency, of data storage systems, magnetic-electric sensors, and solar cells.

  2. Gen IV Materials Handbook Functionalities and Operation

    International Nuclear Information System (INIS)

    Ren, Weiju

    2009-01-01

    This document is prepared for navigation and operation of the Gen IV Materials Handbook, with architecture description and new user access initiation instructions. Development rationale and history of the Handbook is summarized. The major development aspects, architecture, and design principles of the Handbook are briefly introduced to provide an overview of its past evolution and future prospects. Detailed instructions are given with examples for navigating the constructed Handbook components and using the main functionalities. Procedures are provided in a step-by-step fashion for Data Upload Managers to upload reports and data files, as well as for new users to initiate Handbook access.

  3. Metal-molecular assembly for functional materials

    CERN Document Server

    Matsuo, Yutaka; Negishi, Yuichi; Yoshizawa, Michito; Uemura, Takashi; Takaya, Hikaru; Takeuchi, Masayuki; Yoshimoto, Soichiro

    2013-01-01

    This book focuses on modern coordination chemistry, covering porous coordination polymers, metalloproteins, metallopeptides, nanoclusters, nanocapsules, aligned polymers, and fullerenes. As well, it deals with applications to electronic devices and surface characterization. These wide-ranging topics are integrally described from the perspectives of dimensionality (one-, two-, and three-dimension), new materials design, synthesis, molecular assembly, function and application. The nine chapters making up this book have been authored by scientists who are at the cutting edge of research in this p

  4. Gen IV Materials Handbook Functionalities and Operation

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Weiju [ORNL

    2009-12-01

    This document is prepared for navigation and operation of the Gen IV Materials Handbook, with architecture description and new user access initiation instructions. Development rationale and history of the Handbook is summarized. The major development aspects, architecture, and design principles of the Handbook are briefly introduced to provide an overview of its past evolution and future prospects. Detailed instructions are given with examples for navigating the constructed Handbook components and using the main functionalities. Procedures are provided in a step-by-step fashion for Data Upload Managers to upload reports and data files, as well as for new users to initiate Handbook access.

  5. Microbial functional diversity associated with plant litter decomposition along a climatic gradient.

    Science.gov (United States)

    Sherman, Chen; Steinberger, Yosef

    2012-08-01

    Predicted changes in climate associated with increased greenhouse gas emissions can cause increases in global mean temperature and changes in precipitation regimes. These changes may affect key soil processes, e.g., microbial CO(2) evolution and biomass, mineralization rates, primary productivity, biodiversity, and litter decomposition, which play an important role in carbon and nutrient cycling in terrestrial ecosystems. Our study examined the changes in litter microbial communities and decomposition along a climatic gradient, ranging from arid desert to humid Mediterranean regions in Israel. Wheat straw litter bags were placed in arid, semi-arid, Mediterranean, and humid Mediterranean sites. Samples were collected seasonally over a 2-year period in order to evaluate mass loss, litter moisture, C/N ratio, bacterial colony-forming units (CFUs), microbial CO(2) evolution and biomass, microbial functional diversity, and catabolic profile. Decomposition rate was the highest during the first year of the study at the Mediterranean and arid sites. Community-level physiological profile and microbial biomass were the highest in summer, while bacterial CFUs were the highest in winter. Microbial functional diversity was found to be highest at the humid Mediterranean site, whereas substrate utilization increased at the arid site. Our results support the assumption that climatic factors control litter degradation and regulate microbial activity.

  6. Realizing ecosystem services: wetland hydrologic function along a gradient of ecosystem condition.

    Science.gov (United States)

    McLaughlin, Daniel L; Cohen, Matthew J

    2013-10-01

    Wetlands provide numerous ecosystem services, from habitat provision to pollutant removal, floodwater storage, and microclimate regulation. Delivery of particular services relies on specific ecological functions, and thus to varying degree on wetland ecological condition, commonly quantified as departure from minimally impacted reference sites. Condition assessments are widely adopted as regulatory indicators of ecosystem function, and for some services (e.g., habitat) links between condition and function are often direct. For others, however, links are more tenuous, and using condition alone to enumerate ecosystem value (e.g., for compensatory mitigation) may underestimate important services. Hydrologic function affects many services cited in support of wetland protection both directly (floodwater retention, microclimate regulation) and indirectly (biogeochemical cycling, pollutant removal). We investigated links between condition and hydrologic function to test the hypothesis, embedded in regulatory assessment of wetland value, that condition predicts function. Condition was assessed using rapid and intensive approaches, including Florida's official wetland assessment tool, in 11 isolated forested wetlands in north Florida (USA) spanning a land use intensity gradient. Hydrologic function was assessed using hydrologic regime (mean, variance, and rates of change of water depth), and measurements of groundwater exchange and evapotranspiration (ET). Despite a wide range in condition, no systematic variation in hydrologic regime was observed; indeed reference sites spanned the full range of variation. In contrast, ET was affected by land use, with higher rates in intensive (agriculture and urban) landscapes in response to higher leaf area. ET determines latent heat exchange, which regulates microclimate, a valuable service in urban heat islands. Higher ET also indicates higher productivity and thus carbon cycling. Groundwater exchange regularly reversed flow direction

  7. Global Convergence of Arbitrary-Block Gradient Methods for Generalized Polyak-{\\L} ojasiewicz Functions

    KAUST Repository

    Csiba, Dominik

    2017-09-09

    In this paper we introduce two novel generalizations of the theory for gradient descent type methods in the proximal setting. First, we introduce the proportion function, which we further use to analyze all known (and many new) block-selection rules for block coordinate descent methods under a single framework. This framework includes randomized methods with uniform, non-uniform or even adaptive sampling strategies, as well as deterministic methods with batch, greedy or cyclic selection rules. Second, the theory of strongly-convex optimization was recently generalized to a specific class of non-convex functions satisfying the so-called Polyak-{\\\\L}ojasiewicz condition. To mirror this generalization in the weakly convex case, we introduce the Weak Polyak-{\\\\L}ojasiewicz condition, using which we give global convergence guarantees for a class of non-convex functions previously not considered in theory. Additionally, we establish (necessarily somewhat weaker) convergence guarantees for an even larger class of non-convex functions satisfying a certain smoothness assumption only. By combining the two abovementioned generalizations we recover the state-of-the-art convergence guarantees for a large class of previously known methods and setups as special cases of our general framework. Moreover, our frameworks allows for the derivation of new guarantees for many new combinations of methods and setups, as well as a large class of novel non-convex objectives. The flexibility of our approach offers a lot of potential for future research, as a new block selection procedure will have a convergence guarantee for all objectives considered in our framework, while a new objective analyzed under our approach will have a whole fleet of block selection rules with convergence guarantees readily available.

  8. Global Convergence of Arbitrary-Block Gradient Methods for Generalized Polyak-{\\L} ojasiewicz Functions

    KAUST Repository

    Csiba, Dominik; Richtarik, Peter

    2017-01-01

    In this paper we introduce two novel generalizations of the theory for gradient descent type methods in the proximal setting. First, we introduce the proportion function, which we further use to analyze all known (and many new) block-selection rules for block coordinate descent methods under a single framework. This framework includes randomized methods with uniform, non-uniform or even adaptive sampling strategies, as well as deterministic methods with batch, greedy or cyclic selection rules. Second, the theory of strongly-convex optimization was recently generalized to a specific class of non-convex functions satisfying the so-called Polyak-{\\L}ojasiewicz condition. To mirror this generalization in the weakly convex case, we introduce the Weak Polyak-{\\L}ojasiewicz condition, using which we give global convergence guarantees for a class of non-convex functions previously not considered in theory. Additionally, we establish (necessarily somewhat weaker) convergence guarantees for an even larger class of non-convex functions satisfying a certain smoothness assumption only. By combining the two abovementioned generalizations we recover the state-of-the-art convergence guarantees for a large class of previously known methods and setups as special cases of our general framework. Moreover, our frameworks allows for the derivation of new guarantees for many new combinations of methods and setups, as well as a large class of novel non-convex objectives. The flexibility of our approach offers a lot of potential for future research, as a new block selection procedure will have a convergence guarantee for all objectives considered in our framework, while a new objective analyzed under our approach will have a whole fleet of block selection rules with convergence guarantees readily available.

  9. High-Thermal- and Air-Stability Cathode Material with Concentration-Gradient Buffer for Li-Ion Batteries.

    Science.gov (United States)

    Shi, Ji-Lei; Qi, Ran; Zhang, Xu-Dong; Wang, Peng-Fei; Fu, Wei-Gui; Yin, Ya-Xia; Xu, Jian; Wan, Li-Jun; Guo, Yu-Guo

    2017-12-13

    Delivery of high capacity with high thermal and air stability is a great challenge in the development of Ni-rich layered cathodes for commercialized Li-ion batteries (LIBs). Herein we present a surface concentration-gradient spherical particle with varying elemental composition from the outer end LiNi 1/3 Co 1/3 Mn 1/3 O 2 (NCM) to the inner end LiNi 0.8 Co 0.15 Al 0.05 O 2 (NCA). This cathode material with the merit of NCM concentration-gradient protective buffer and the inner NCA core shows high capacity retention of 99.8% after 200 cycles at 0.5 C. Furthermore, this cathode material exhibits much improved thermal and air stability compared with bare NCA. These results provide new insights into the structural design of high-performance cathodes with high energy density, long life span, and storage stability materials for LIBs in the future.

  10. Clinical heterogeneity among people with high functioning autism spectrum conditions: evidence favouring a continuous severity gradient

    Directory of Open Access Journals (Sweden)

    Woodbury-Smith Marc

    2008-02-01

    Full Text Available Abstract Background Autism Spectrum Conditions (ASCs are characterized by a high degree of clinical heterogeneity, but the extent to which this variation represents a severity gradient versus discrete phenotypes is unclear. This issue has complicated genetic studies seeking to investigate the genetic basis of the high hereditability observed clinically in those with an ASC. The aim of this study was to examine the possible clustering of symptoms associated with ASCs to determine whether the observed distribution of symptom type and severity supported either a severity or a symptom subgroup model to account for the phenotypic variation observed within the ASCs. Methods We investigated the responses of a group of adults with higher functioning ASCs on the fifty clinical features examined in the Autism Spectrum Quotient, a screening questionnaire used in the diagnosis of higher functioning ASCs. In contrast to previous studies we have used this instrument with no a priori assumptions about any underlying factor structure of constituent items. The responses obtained were analyzed using complete linkage hierarchical cluster analysis. For the members of each cluster identified the mean score on each Autism Spectrum Quotient question was calculated. Results Autism Spectrum Quotient responses from a total of 333 individuals between the ages of 16.6 and 78.0 years were entered into the hierarchical cluster analysis. The four cluster solution was the one that generated the largest number of clusters that did not also include very small cluster sizes, defined as a membership comprising 10 individuals or fewer. Examination of these clusters demonstrated that they varied in total Autism Spectrum Quotient but that the profiles across the symptoms comprising the Autism Spectrum Quotient did not differ independently of this severity factor. Conclusion These results are consistent with a unitary spectrum model, suggesting that the clinical heterogeneity observed

  11. Characterization of the materials for functional application

    International Nuclear Information System (INIS)

    Duh, J.-G.

    1997-01-01

    The development of material products with extended performances has been equally pushed by the advancement of analysis techniques. Characterization of materials for functional application will be a challenge for further analytical methodology development. In this lecture, several characterization techniques will be outlined and emphasized with respect to special function applications as follows. 1. Phase analysis, crystallite size and microstrain of chemically synthesized ceramic powders in relation to phase transformation. 2. Microstructural evolution and reliability test in the solder joint of microelectronic package. The growth morphology of the intermetallic compound and its effects on the solder joint reliability will be highlighted and discussed. 3. Mechanical properties of thin films and metallized substrates, including adhesion strength, microhardness, scratch behavior, wear resistance. Special interest will be focused on the indentation-scratch deformation associated with the coating/substrate assembly. Employment of atomic force microscope in the evaluation of nano-tribology will also be probed. 4. Diffusion-related kinetics at interface by means of theoretical modelling and electron microanalysis. (author)

  12. Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

    Science.gov (United States)

    Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi

    2018-06-01

    A semi-local kinetic energy density functional (KEDF) was constructed based on machine learning (ML). The present scheme adopts electron densities and their gradients up to third-order as the explanatory variables for ML and the Kohn-Sham (KS) kinetic energy density as the response variable in atoms and molecules. Numerical assessments of the present scheme were performed in atomic and molecular systems, including first- and second-period elements. The results of 37 conventional KEDFs with explicit formulae were also compared with those of the ML KEDF with an implicit formula. The inclusion of the higher order gradients reduces the deviation of the total kinetic energies from the KS calculations in a stepwise manner. Furthermore, our scheme with the third-order gradient resulted in the closest kinetic energies to the KS calculations out of the presented functionals.

  13. New Layered Materials and Functional Nanoelectronic Devices

    Science.gov (United States)

    Yu, Jaeeun

    This thesis introduces functional nanomaterials including superatoms and carbon nanotubes (CNTs) for new layered solids and molecular devices. Chapters 1-3 present how we incorporate superatoms into two-dimensional (2D) materials. Chapter 1 describes a new and simple approach to dope transition metal dichalcogenides (TMDCs) using the superatom Co6Se8(PEt3)6 as the electron dopant. Doping is an effective method to modulate the electrical properties of materials, and we demonstrate an electron-rich cluster can be used as a tunable and controllable surface dopant for semiconducting TMDCs via charge transfer. As a demonstration of the concept, we make a p-n junction by patterning on specific areas of TMDC films. Chapter 2 and Chapter 3 introduce new 2D materials by molecular design of superatoms. Traditional atomic van der Waals materials such as graphene, hexagonal boron-nitride, and TMDCs have received widespread attention due to the wealth of unusual physical and chemical behaviors that arise when charges, spins, and vibrations are confined to a plane. Though not as widespread as their atomic counterparts, molecule-based layered solids offer significant benefits; their structural flexibility will enable the development of materials with tunable properties. Chapter 2 describes a layered van der Waals solid self-assembled from a structure-directing building block and C60 fullerene. The resulting crystalline solid contains a corrugated monolayer of neutral fullerenes and can be mechanically exfoliated. Chapter 3 describes a new method to functionalize electroactive superatoms with groups that can direct their assembly into covalent and non-covalent multi-dimensional frameworks. We synthesized Co6Se8[PEt2(4-C6H4COOH)]6 and found that it forms two types of crystalline assemblies with Zn(NO3)2, one is a three-dimensional solid and the other consists of stacked layers of two-dimensional sheets. The dimensionality is controlled by subtle changes in reaction conditions. CNT

  14. Host Plant Physiology and Mycorrhizal Functioning Shift across a Glacial through Future [CO2] Gradient.

    Science.gov (United States)

    Becklin, Katie M; Mullinix, George W R; Ward, Joy K

    2016-10-01

    Rising atmospheric carbon dioxide concentration ([CO 2 ]) may modulate the functioning of mycorrhizal associations by altering the relative degree of nutrient and carbohydrate limitations in plants. To test this, we grew Taraxacum ceratophorum and Taraxacum officinale (native and exotic dandelions) with and without mycorrhizal fungi across a broad [CO 2 ] gradient (180-1,000 µL L -1 ). Differential plant growth rates and vegetative plasticity were hypothesized to drive species-specific responses to [CO 2 ] and arbuscular mycorrhizal fungi. To evaluate [CO 2 ] effects on mycorrhizal functioning, we calculated response ratios based on the relative biomass of mycorrhizal (M Bio ) and nonmycorrhizal (NM Bio ) plants (R Bio = [M Bio - NM Bio ]/NM Bio ). We then assessed linkages between R Bio and host physiology, fungal growth, and biomass allocation using structural equation modeling. For T. officinale, R Bio increased with rising [CO 2 ], shifting from negative to positive values at 700 µL L -1 [CO 2 ] and mycorrhizal effects on photosynthesis and leaf growth rates drove shifts in R Bio in this species. For T. ceratophorum, R Bio increased from 180 to 390 µL L -1 and further increases in [CO 2 ] caused R Bio to shift from positive to negative values. [CO 2 ] and fungal effects on plant growth and carbon sink strength were correlated with shifts in R Bio in this species. Overall, we show that rising [CO 2 ] significantly altered the functioning of mycorrhizal associations. These symbioses became more beneficial with rising [CO 2 ], but nonlinear effects may limit plant responses to mycorrhizal fungi under future [CO 2 ]. The magnitude and mechanisms driving mycorrhizal-CO 2 responses reflected species-specific differences in growth rate and vegetative plasticity, indicating that these traits may provide a framework for predicting mycorrhizal responses to global change. © 2016 American Society of Plant Biologists. All Rights Reserved.

  15. Fracture of functionally graded materials: application to hydrided zircaloy

    International Nuclear Information System (INIS)

    Perales, F.

    2005-12-01

    This thesis is devoted to the dynamic fracture of functionally graded materials. More particularly, it deals with the toughness of nuclear cladding at high burnup submitted to transient loading. The fracture is studied at local scale using cohesive zone model in a multi body approach. Cohesive zone models include frictional contact to take into account mixed mode fracture. Non smooth dynamics problems are treated within the Non-Smooth Contact Dynamics framework. A multi scale study is necessary because of the dimension of the clad. At microscopic scale, the effective properties of surface law, between each body, are obtained by periodic numerical homogenization. A two fields Finite Element formulation is so written. An extended formulation of the NSCD framework is obtained. The associated software allows to simulate, in finite deformation, from the crack initiation to post-fracture behavior in heterogeneous materials. At microscopic scale, random RVE calculations are made to determine effective properties. At macroscopic scale, calculations of part of clad are made to determine the role of the mean hydrogen concentration and gradient of hydrogen parameters in the toughness of the clad under dynamic loading. (author)

  16. The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations.

    Science.gov (United States)

    Lefebvre, Corentin; Khartabil, Hassan; Boisson, Jean-Charles; Contreras-García, Julia; Piquemal, Jean-Philip; Hénon, Eric

    2018-03-19

    Extraction of the chemical interaction signature from local descriptors based on electron density (ED) is still a fruitful field of development in chemical interpretation. In a previous work that used promolecular ED (frozen ED), the new descriptor, δg , was defined. It represents the difference between a virtual upper limit of the ED gradient (∇ρIGM , IGM=independent gradient model) that represents a noninteracting system and the true ED gradient (∇ρ ). It can be seen as a measure of electron sharing brought by ED contragradience. A compelling feature of this model is to provide an automatic workflow that extracts the signature of interactions between selected groups of atoms. As with the noncovalent interaction (NCI) approach, it provides chemists with a visual understanding of the interactions present in chemical systems. ∇ρIGM is achieved simply by using absolute values upon summing the individual gradient contributions that make up the total ED gradient. Hereby, we extend this model to relaxed ED calculated from a wave function. To this end, we formulated gradient-based partitioning (GBP) to assess the contribution of each orbital to the total ED gradient. We highlight these new possibilities across two prototypical examples of organic chemistry: the unconventional hexamethylbenzene dication, with a hexa-coordinated carbon atom, and β-thioaminoacrolein. It will be shown how a bond-by-bond picture can be obtained from a wave function, which opens the way to monitor specific interactions along reaction paths. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Revealing Soil Structure and Functional Macroporosity along a Clay Gradient Using X-ray Computed Tomography

    DEFF Research Database (Denmark)

    Naveed, Muhammad; Møldrup, Per; Arthur, Emmanuel

    2013-01-01

    clay content, respectively) at a field site in Lerbjerg, Denmark. The water-holding capacity of soils markedly increased with increasing soil clay content, while significantly higher air permeability was observed for the L1 to L3 soils than for the L4 to L6 soils. Higher air permeability values......The influence of clay content in soil-pore structure development and the relative importance of macroporosity in governing convective fluid flow are two key challenges toward better understanding and quantifying soil ecosystem functions. In this study, soil physical measurements (soil-water...... retention and air permeability) and x-ray computed tomography (CT) scanning were combined and used from two scales on intact soil columns (100 and 580 cm3). The columns were sampled along a natural clay gradient at six locations (L1, L2, L3, L4, L5 and L6 with 0.11, 0.16, 0.21, 0.32, 0.38 and 0.46 kg kg−1...

  18. Evaluation of renal function with dynamic MRI-T2-weighted gradient echo technique

    International Nuclear Information System (INIS)

    Kato, Katsuya

    1995-01-01

    To evaluate the usefulness of dynamic MRI of kidneys in healthy volunteers and patients with different 24-hour creatinine clearance (Ccr) levels, a dynamic study that employed the T2 weighted gradient echo technique (FLASH: TR/TE=34/25 msec, flip angle= 20 degrees) with single images during breathhold was performed on 10 healthy volunteers and 35 patients, all examined for the Ccr and suspected of having renal parenchymal disease after a phantom study. T1-weighted and dynamic MR imagings were obtained with a 1.5T imager. I analyzed the time-intensity curve of renal cortex and medulla, and defined a cortex decreased ratio (CDR) and medulla decreased ratio (MDR) in comparison with the Ccr. The cortico-medullary difference ratio (CMDR) of T1WI was also compared with the Ccr. The parameters of the T2 dynamic MRI study (CDR, MDR) better correlated with the Ccr than CMDR. Renal function can be quantitatively evaluated with the T2 dynamic MRI and there is a possibility that we can qualitatively evaluate the renal dysfunction and estimate its cause. (author)

  19. Comparison of the deflated preconditioned conjugate gradient method and algebraic multigrid for composite materials

    NARCIS (Netherlands)

    Jönsthövel, T.B.; Van Gijzen, M.B.; MacLachlan, S.; Vuik, C.; Scarpas, A.

    2012-01-01

    Many applications in computational science and engineering concern composite materials, which are characterized by large discontinuities in the material properties. Such applications require fine-scale finite-element meshes, which lead to large linear systems that are challenging to solve with

  20. Comparison of the deflated preconditioned conjugate gradient method and parallel direct solver for composite materials

    NARCIS (Netherlands)

    Jönsthövel, T.B.; Van Gijzen, M.B.; MacLachlan, S.; Vuik, C.; Scarpas, A.

    2011-01-01

    The demand for large FE meshes increases as parallel computing becomes the standard in FE simulations. Direct and iterative solution methods are used to solve the resulting linear systems. Many applications concern composite materials, which are characterized by large discontinuities in the material

  1. SDSS-IV MaNGA: stellar population gradients as a function of galaxy environment

    Science.gov (United States)

    Goddard, D.; Thomas, D.; Maraston, C.; Westfall, K.; Etherington, J.; Riffel, R.; Mallmann, N. D.; Zheng, Z.; Argudo-Fernández, M.; Bershady, M.; Bundy, K.; Drory, N.; Law, D.; Yan, R.; Wake, D.; Weijmans, A.; Bizyaev, D.; Brownstein, J.; Lane, R. R.; Maiolino, R.; Masters, K.; Merrifield, M.; Nitschelm, C.; Pan, K.; Roman-Lopes, A.; Storchi-Bergmann, T.

    2017-02-01

    We study the internal radial gradients of stellar population properties within 1.5 Re and analyse the impact of galaxy environment. We use a representative sample of 721 galaxies with masses ranging between 109 M⊙ and 1011.5 M⊙ from the SDSS-IV survey MaNGA. We split this sample by morphology into early-type and late-type galaxies. Using the full spectral fitting code FIREFLY, we derive the light and mass-weighted stellar population properties, age and metallicity, and calculate the gradients of these properties. We use three independent methods to quantify galaxy environment, namely the Nth nearest neighbour, the tidal strength parameter Q and distinguish between central and satellite galaxies. In our analysis, we find that early-type galaxies generally exhibit shallow light-weighted age gradients in agreement with the literature and mass-weighted median age gradients tend to be slightly positive. Late-type galaxies, instead, have negative light-weighted age gradients. We detect negative metallicity gradients in both early- and late-type galaxies that correlate with galaxy mass, with the gradients being steeper and the correlation with mass being stronger in late-types. We find, however, that stellar population gradients, for both morphological classifications, have no significant correlation with galaxy environment for all three characterizations of environment. Our results suggest that galaxy mass is the main driver of stellar population gradients in both early and late-type galaxies, and any environmental dependence, if present at all, must be very subtle.

  2. Functional, Responsive Materials Assembled from Recombinant Oleosin

    Science.gov (United States)

    Hammer, Daniel

    Biological cells are surrounded by a plasma membrane made primarily of phospholipids that form a bilayer. This membrane is permselective and compartmentalizes the cell. A simple form of artificial cell is the vesicle, in which a phospholipid bilayer membrane surrounds an aqueous solution. However, there is no a priori reason why a membrane needs to be made of phospholipids. It could be made of any surfactant that forms a bilayer. We have assembled membranes and other structures from the recombinant plant protein oleosin. The ability to assemble from a recombinant protein means that every molecule is identical, we have complete control over the sequence, and hence can build in designer functionality with high fidelity, including adhesion and enzymatic activity. Such incorporation is trivial using the tools of molecular biology. We find that while many variants of oleosin make membranes, others make micelles and sheets. We show how the type of supramolecular structure can be altered by the conditions of solvent, such as ionic strength, and the architecture of the surfactant itself. We show that protease cleavable domains can be incorporated within oleosin, and be engineered to protect other functional domains such as adhesive motifs, to make responsive materials whose activity and shape depend on the action of proteases. We will also present the idea of making ``Franken''-oleosins, where large domains of native oleosin are replaced with domains from other functional proteins, to make hybrids conferred by the donor protein. Thus, we can view oleosin as a template upon which a vast array of designer functionalities can be imparted..

  3. Functional materials for energy-efficient buildings

    Science.gov (United States)

    Ebert, H.-P.

    2015-08-01

    The substantial improving of the energy efficiency is essential to meet the ambitious energy goals of the EU. About 40% of the European energy consumption belongs to the building sector. Therefore the reduction of the energy demand of the existing building stock is one of the key measures to deliver a substantial contribution to reduce CO2-emissions of our society. Buildings of the future have to be efficient in respect to energy consumption for construction and operation. Current research activities are focused on the development of functional materials with outstanding thermal and optical properties to provide, for example, slim thermally superinsulated facades, highly integrated heat storage systems or adaptive building components. In this context it is important to consider buildings as entities which fulfill energy and comfort claims as well as aesthetic aspects of a sustainable architecture.

  4. 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.

  5. Functional materials for energy-efficient buildings

    Directory of Open Access Journals (Sweden)

    Ebert H.-P

    2015-01-01

    Full Text Available The substantial improving of the energy efficiency is essential to meet the ambitious energy goals of the EU. About 40% of the European energy consumption belongs to the building sector. Therefore the reduction of the energy demand of the existing building stock is one of the key measures to deliver a substantial contribution to reduce CO2-emissions of our society. Buildings of the future have to be efficient in respect to energy consumption for construction and operation. Current research activities are focused on the development of functional materials with outstanding thermal and optical properties to provide, for example, slim thermally superinsulated facades, highly integrated heat storage systems or adaptive building components. In this context it is important to consider buildings as entities which fulfill energy and comfort claims as well as aesthetic aspects of a sustainable architecture.

  6. Materials design and development of functional materials for industry

    International Nuclear Information System (INIS)

    Asahi, Ryoji; Morikawa, Takeshi; Hazama, Hirofumi; Matsubara, Masato

    2008-01-01

    It is now well recognized that we are witnessing a golden age of innovation with novel materials, with discoveries that are important for both basic science and industry. With the development of theory along with computing power, quantum materials design-the synthesis of materials with the desired properties in a controlled way via materials engineering on the atomic scale-is becoming a major component of materials research. Computational prediction based on first-principles calculations has helped to find an efficient way to develop materials that are much needed for industry, as we have seen in the successful development of visible-light sensitized photocatalysts and thermoelectric materials. Close collaboration between theory and experiment is emphasized as an essential for success

  7. Functional materials discovery using energy-structure-function maps.

    Science.gov (United States)

    Pulido, Angeles; Chen, Linjiang; Kaczorowski, Tomasz; Holden, Daniel; Little, Marc A; Chong, Samantha Y; Slater, Benjamin J; McMahon, David P; Bonillo, Baltasar; Stackhouse, Chloe J; Stephenson, Andrew; Kane, Christopher M; Clowes, Rob; Hasell, Tom; Cooper, Andrew I; Day, Graeme M

    2017-03-30

    Molecular crystals cannot be designed in the same manner as macroscopic objects, because they do not assemble according to simple, intuitive rules. Their structures result from the balance of many weak interactions, rather than from the strong and predictable bonding patterns found in metal-organic frameworks and covalent organic frameworks. Hence, design strategies that assume a topology or other structural blueprint will often fail. Here we combine computational crystal structure prediction and property prediction to build energy-structure-function maps that describe the possible structures and properties that are available to a candidate molecule. Using these maps, we identify a highly porous solid, which has the lowest density reported for a molecular crystal so far. Both the structure of the crystal and its physical properties, such as methane storage capacity and guest-molecule selectivity, are predicted using the molecular structure as the only input. More generally, energy-structure-function maps could be used to guide the experimental discovery of materials with any target function that can be calculated from predicted crystal structures, such as electronic structure or mechanical properties.

  8. Mapping brain activity in gradient-echo functional MRI using principal component analysis

    Science.gov (United States)

    Khosla, Deepak; Singh, Manbir; Don, Manuel

    1997-05-01

    The detection of sites of brain activation in functional MRI has been a topic of immense research interest and many technique shave been proposed to this end. Recently, principal component analysis (PCA) has been applied to extract the activated regions and their time course of activation. This method is based on the assumption that the activation is orthogonal to other signal variations such as brain motion, physiological oscillations and other uncorrelated noises. A distinct advantage of this method is that it does not require any knowledge of the time course of the true stimulus paradigm. This technique is well suited to EPI image sequences where the sampling rate is high enough to capture the effects of physiological oscillations. In this work, we propose and apply tow methods that are based on PCA to conventional gradient-echo images and investigate their usefulness as tools to extract reliable information on brain activation. The first method is a conventional technique where a single image sequence with alternating on and off stages is subject to a principal component analysis. The second method is a PCA-based approach called the common spatial factor analysis technique (CSF). As the name suggests, this method relies on common spatial factors between the above fMRI image sequence and a background fMRI. We have applied these methods to identify active brain ares during visual stimulation and motor tasks. The results from these methods are compared to those obtained by using the standard cross-correlation technique. We found good agreement in the areas identified as active across all three techniques. The results suggest that PCA and CSF methods have good potential in detecting the true stimulus correlated changes in the presence of other interfering signals.

  9. Functional Carbon Materials for Electrochemical Energy Storage

    Science.gov (United States)

    Zhou, Huihui

    The ability to harvest and convert solar energy has been associated with the evolution of human civilization. The increasing consumption of fossil fuels since the industrial revolution, however, has brought to concerns in ecological deterioration and depletion of the fossil fuels. Facing these challenges, humankind is forced to seek for clean, sustainable and renewable energy resources, such as biofuels, hydraulic power, wind power, geothermal energy and other kinds of alternative energies. However, most alternative energy sources, generally in the form of electrical energy, could not be made available on a continuous basis. It is, therefore, essential to store such energy into chemical energy, which are portable and various applications. In this context, electrochemical energy-storage devices hold great promises towards this goal. The most common electrochemical energy-storage devices are electrochemical capacitors (ECs, also called supercapacitors) and batteries. In comparison to batteries, ECs posses high power density, high efficiency, long cycling life and low cost. ECs commonly utilize carbon as both (symmetric) or one of the electrodes (asymmetric), of which their performance is generally limited by the capacitance of the carbon electrodes. Therefore, developing better carbon materials with high energy density has been emerging as one the most essential challenges in the field. The primary objective of this dissertation is to design and synthesize functional carbon materials with high energy density at both aqueous and organic electrolyte systems. The energy density (E) of ECs are governed by E = CV 2/2, where C is the total capacitance and V is the voltage of the devices. Carbon electrodes with high capacitance and high working voltage should lead to high energy density. In the first part of this thesis, a new class of nanoporous carbons were synthesized for symmetric supercapacitors using aqueous Li2SO4 as the electrolyte. A unique precursor was adopted to

  10. Floristic-functional variation of tree component along an altitudinal gradient in araucaria forest areas, in Southern Brazil.

    Science.gov (United States)

    Soboleski, Vanessa F; Higuchi, Pedro; Silva, Ana Carolina DA; Silva, Mariele A F DA; Nunes, Amanda S; Loebens, Rodineli; Souza, Karine DE; Ferrari, Jheniffer; Lima, Carla L; Kilca, Ricardo V

    2017-01-01

    We aimed to investigate the taxonomic and functional variations of tree component of Araucaria Forest (AF) areas located along an altitudinal gradient (700, 900 and 1,600 m asl), in the southern region of Brazil. The functional traits determined were leaf area, specific leaf area, wood density, maximum potential height and dispersal syndromes and deciduousness. The data were analyzed through a functional and taxonomic dissimilarity dendrograms, community-weighted mean trait values, parametric and nonparametric tests, and Principal Component Analysis. The largest floristic-structural similarity was observed between the lower altitude areas (700 and 900 m asl), whose Bray-Curtis distance was 0.63. The area at 700 m asl was characterized by a predominance of deciduous and semi-deciduous species, with a high number of self- and wind-dispersed species, whereas the area at 1,600 m asl exhibited a predominance of animal-dispersed and evergreen species. It was also observed that there were significant variations for leaf traits, basic wood density and maximum potential height. Over all altitudinal gradient, the ordinations indicated that there was no evidence of functional differentiation among dispersal and deciduousness groups. In conclusion, the evaluated Araucaria Forest areas presented high floristic-functional variation of the tree component along the altitudinal gradient.

  11. Cleaning by Surfactant Gradients: Particulate Removal from Porous Materials and the Significance of Rinsing in Laundry Detergency

    Science.gov (United States)

    Shin, Sangwoo; Warren, Patrick B.; Stone, Howard A.

    2018-03-01

    Removing particles from fibrous materials involves loosening via surfactants followed by particle transfer in a flow. While flow advection is commonly believed to be the major driver for pore-scale transport, small pores within the fabric do not allow any significant fluid flow inside them, thus significantly reducing the role of advection. However, rinsing the fabric with fresh water naturally establishes a surfactant gradient within the pore space, providing a suitable environment for particles to undergo diffusiophoresis. We demonstrate that this mechanism can remove particles from deep within fabric pores at an accelerated rate. The nonlinear aspect of diffusiophoresis significantly prolongs the lifetime of the phoretic motion beyond the naive solute diffusion time scale during rinsing, allowing long-lasting, continuous removal of particles. Moreover, owing to the fine balance between chemiphoresis and electrophoresis for particles in anionic surfactant concentration gradients, we show that the particle removal is sensitive to the counterion mobility, suggesting a simple route to control the effect. We thus claim to have resolved the "stagnant core problem"—a long-standing mystery in laundry detergency—and have identified a physicochemical approach to particle transport in fibrous media with broad applicability.

  12. Spatial patterns of littoral zooplankton assemblages along a salinity gradient in a brackish sea: A functional diversity perspective

    Science.gov (United States)

    Helenius, Laura K.; Leskinen, Elina; Lehtonen, Hannu; Nurminen, Leena

    2017-11-01

    The distribution patterns and diversity of littoral zooplankton are both key baseline information for understanding the functioning of coastal ecosystems, and for identifying the mechanisms by which the impacts of recently increased eutrophication are transferred through littoral food webs. In this study, zooplankton community structure and diversity along a shallow coastal area of the northern Baltic Sea were determined in terms of horizontal environmental gradients. Spatial heterogeneity of the zooplankton community was examined along the gradient. Altogether 31 sites in shallow sandy bays on the coast of southwest Finland were sampled in the summer periods of 2009 and 2010 for zooplankton and environmental variables (surface water temperature, salinity, turbidity, wave exposure, macrophyte coverage, chlorophyll a and nutrients). Zooplankton diversity was measured as both taxonomic as well as functional diversity, using trait-based classification of planktonic crustaceans. Salinity, and to a lesser extent turbidity and temperature, were found to be the main predictors of the spatial patterns and functional diversity of the zooplankton community. Occurrence of cyclopoid copepods, as well as abundances of the calanoid copepod genus Acartia and the rotifer genus Keratella were found to be key factors in differentiating sites along the gradient. As far as we know, this is the first extensive study of functional diversity in Baltic Sea coastal zooplankton communities.

  13. A Conjugate Gradient Algorithm with Function Value Information and N-Step Quadratic Convergence for Unconstrained Optimization.

    Directory of Open Access Journals (Sweden)

    Xiangrong Li

    Full Text Available It is generally acknowledged that the conjugate gradient (CG method achieves global convergence--with at most a linear convergence rate--because CG formulas are generated by linear approximations of the objective functions. The quadratically convergent results are very limited. We introduce a new PRP method in which the restart strategy is also used. Moreover, the method we developed includes not only n-step quadratic convergence but also both the function value information and gradient value information. In this paper, we will show that the new PRP method (with either the Armijo line search or the Wolfe line search is both linearly and quadratically convergent. The numerical experiments demonstrate that the new PRP algorithm is competitive with the normal CG method.

  14. A Conjugate Gradient Algorithm with Function Value Information and N-Step Quadratic Convergence for Unconstrained Optimization.

    Science.gov (United States)

    Li, Xiangrong; Zhao, Xupei; Duan, Xiabin; Wang, Xiaoliang

    2015-01-01

    It is generally acknowledged that the conjugate gradient (CG) method achieves global convergence--with at most a linear convergence rate--because CG formulas are generated by linear approximations of the objective functions. The quadratically convergent results are very limited. We introduce a new PRP method in which the restart strategy is also used. Moreover, the method we developed includes not only n-step quadratic convergence but also both the function value information and gradient value information. In this paper, we will show that the new PRP method (with either the Armijo line search or the Wolfe line search) is both linearly and quadratically convergent. The numerical experiments demonstrate that the new PRP algorithm is competitive with the normal CG method.

  15. Nanoscale/multilayer gradient materials for application in electromagnetic gun systems

    Energy Technology Data Exchange (ETDEWEB)

    Otooni, M.A. [Army Armament Research, Development and Engineering Center, Picatinny Arsenal, NJ (United States); Brown, I.G.; Anders, S.; Wang, Z. [Lawrence Berkeley Lab., CA (United States)

    1996-12-31

    Analysis of fired rails from electromagnetic railguns indicates severe surface damage occurs due to high current arcing and tribological mismatch. The authors have explored the behavior of several nanoscale multilayered materials as possible routes to improve the thermomechanical properties of the rail and armature materials. Structures investigated include (i) Ti-Co alloy on Ta-Cu alloy on dlc (diamond-like carbon) on stainless steel; (ii) Ti-Co alloy on Ta-Cu alloy on dlc on Cu, (iii) Ti-Co alloy on Ta-Cu on Cu; and (iv) Ti-Co on Ta-Cu alloy on Al. The alloys were all 50:50 at% and film thicknesses were fin the range 400--1,000 {angstrom}. The films were formed using a repetitively pulsed vacuum arc plasma deposition method with substrate biasing- and IBAD-like techniques. The surfaces were characterized by scanning electron microscopy, transmission electron microscopy, Rutherford backscattering spectroscopy, optical microscopy, microhardness measurements, arc erosion resistance and scratch resistance tests. Preliminary results show improvement in the microhardness, arc erosion resistance and scratch resistance, most especially for the dlc-coated surfaces. This kind of multilayered approach to the fabrication of electromagnetic railgun and armature surfaces could be important for future advanced Electromagnetic EM Gun systems.

  16. Critical slowing down and the gradient flow coupling in the Schroedinger functional

    Energy Technology Data Exchange (ETDEWEB)

    Fritzsch, Patrick; Stollenwerk, Felix [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Ramos, Alberto [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

    2013-11-15

    We study the sensitivity of the gradient flow coupling to sectors of different topological charge and its implications in practical situations. Furthermore, we investigate an alternative definition of the running coupling that is expected to be less sensitive to the problems of the HMC algorithm to efficiently sample all topological sectors.

  17. Critical slowing down and the gradient flow coupling in the Schroedinger functional

    International Nuclear Information System (INIS)

    Fritzsch, Patrick; Stollenwerk, Felix; Ramos, Alberto

    2013-11-01

    We study the sensitivity of the gradient flow coupling to sectors of different topological charge and its implications in practical situations. Furthermore, we investigate an alternative definition of the running coupling that is expected to be less sensitive to the problems of the HMC algorithm to efficiently sample all topological sectors.

  18. Dynamics of arbuscular mycorrhizal fungal community structure and functioning along a nitrogen enrichment gradient in an alpine meadow ecosystem.

    Science.gov (United States)

    Jiang, Shengjing; Liu, Yongjun; Luo, Jiajia; Qin, Mingsen; Johnson, Nancy Collins; Öpik, Maarja; Vasar, Martti; Chai, Yuxing; Zhou, Xiaolong; Mao, Lin; Du, Guozhen; An, Lizhe; Feng, Huyuan

    2018-03-30

    Nitrogen (N) availability is increasing dramatically in many ecosystems, but the influence of elevated N on the functioning of arbuscular mycorrhizal (AM) fungi in natural ecosystems is not well understood. We measured AM fungal community structure and mycorrhizal function simultaneously across an experimental N addition gradient in an alpine meadow that is limited by N but not by phosphorus (P). AM fungal communities at both whole-plant-community (mixed roots) and single-plant-species (Elymus nutans roots) scales were described using pyro-sequencing, and the mycorrhizal functioning was quantified using a mycorrhizal-suppression treatment in the field (whole-plant-community scale) and a glasshouse inoculation experiment (single-plant-species scale). Nitrogen enrichment progressively reduced AM fungal abundance, changed AM fungal community composition, and shifted mycorrhizal functioning towards parasitism at both whole-plant-community and E. nutans scales. N-induced shifts in AM fungal community composition were tightly linked to soil N availability and/or plant species richness, whereas the shifts in mycorrhizal function were associated with the communities of specific AM fungal lineages. The observed changes in both AM fungal community structure and functioning across an N enrichment gradient highlight that N enrichment of ecosystems that are not P-limited can induce parasitic mycorrhizal functioning and influence plant community structure and ecosystem sustainability. © 2018 The Authors. New Phytologist © 2018 New Phytologist Trust.

  19. Density functional theory in materials science.

    Science.gov (United States)

    Neugebauer, Jörg; Hickel, Tilmann

    2013-09-01

    Materials science is a highly interdisciplinary field. It is devoted to the understanding of the relationship between (a) fundamental physical and chemical properties governing processes at the atomistic scale with (b) typically macroscopic properties required of materials in engineering applications. For many materials, this relationship is not only determined by chemical composition, but strongly governed by microstructure. The latter is a consequence of carefully selected process conditions (e.g., mechanical forming and annealing in metallurgy or epitaxial growth in semiconductor technology). A key task of computational materials science is to unravel the often hidden composition-structure-property relationships using computational techniques. The present paper does not aim to give a complete review of all aspects of materials science. Rather, we will present the key concepts underlying the computation of selected material properties and discuss the major classes of materials to which they are applied. Specifically, our focus will be on methods used to describe single or polycrystalline bulk materials of semiconductor, metal or ceramic form.

  20. Microstructural Analysis of Sintered Gradient Materials Based on Distaloy SE Powder

    Directory of Open Access Journals (Sweden)

    Zarębski K.

    2016-06-01

    Full Text Available The study describes the microstructural analysis of cylindrically-shaped functionally graded products sintered from iron powder with scheduled graded structure on the cross-section running from the core to the surface layer of the sinter. Different types of structure were produced using Distaloy SE powder in two compositions - one without the addition of carbon, and another with 0.6wt% C. Two methods were used to fill the die cavity and shape the products. The first method involving a two-step compaction of individual layers. The second method using an original technique of die filling enabled the formation of transition zone between the outer layer and the core still at the stage of product shaping. As part of microstructural analysis, structural constituents were identified and voids morphology was examined. Studies covered the effect of the type of the applied method on properties of the graded zone obtained in the manufactured products

  1. Thermographic visualization of the superficial vein and extravasation using the temperature gradient produced by the injected materials

    Science.gov (United States)

    Nakamura, Katsumasa; Sasaki, Tomonari; Ohga, Saiji; Yoshitake, Tadamasa; Terashima, Kotaro; Asai, Kaori; Matsumoto, Keiji; Shinoto, Makoto; Shioyama, Yoshiyuki; Nishie, Akihoro; Honda, Hiroshi

    2014-11-01

    There are few effective methods to detect or prevent the extravasation of injected materials such as chemotherapeutic agents and radiographic contrast materials. To investigate whether a thermographic camera could visualize the superficial vein and extravasation using the temperature gradient produced by the injected materials, an infrared thermographic camera with a high resolution of 0.04 °C was used. At the room temperature of 26 °C, thermal images and the time course of the temperature changes of a paraffin phantom embedded with rubber tubes (diameter 3.2 mm, wall thickness 0.8 mm) were evaluated after the tubes were filled with water at 15 °C or 25 °C. The rubber tubes were embedded at depths of 0 mm, 1.5 mm, and 3.0 mm from the surface of the phantom. Temperature changes were visualized in the areas of the phantom where the tubes were embedded. In general, changes were more clearly detected when greater temperature differences between the phantom and the water and shallower tube locations were employed. The temperature changes of the surface of a volunteer's arm were also examined after a bolus injection of physiological saline into the dorsal hand vein or the subcutaneous space. The injection of 5 ml room-temperature (26 °C) saline into the dorsal hand vein enabled the visualization of the vein. When 3 ml of room-temperature saline was injected through the vein into the subcutaneous space, extravasation was detected without any visualization of the vein. The subtraction image before and after the injection clearly showed the temperature changes induced by the saline. Thermography may thus be useful as a monitoring system to detect extravasation of the injected materials.

  2. Ternary gradient metal-organic frameworks.

    Science.gov (United States)

    Liu, Chong; Rosi, Nathaniel L

    2017-09-08

    Gradient MOFs contain directional gradients of either structure or functionality. We have successfully prepared two ternary gradient MOFs based on bMOF-100 analogues, namely bMOF-100/102/106 and bMOF-110/100/102, via cascade ligand exchange reactions. The cubic unit cell parameter discrepancy within an individual ternary gradient MOF crystal is as large as ∼1 nm, demonstrating the impressive compatibility and flexibility of the component MOF materials. Because of the presence of a continuum of unit cells, the pore diameters within individual crystals also change in a gradient fashion from ∼2.5 nm to ∼3.0 nm for bMOF-100/102/106, and from ∼2.2 nm to ∼2.7 nm for bMOF-110/100/102, indicating significant porosity gradients. Like previously reported binary gradient MOFs, the composition of the ternary gradient MOFs can be easily controlled by adjusting the reaction conditions. Finally, X-ray diffraction and microspectrophotometry were used to analyse fractured gradient MOF crystals by comparing unit cell parameters and absorbance spectra at different locations, thus revealing the profile of heterogeneity (i.e. gradient distribution of properties) and further confirming the formation of ternary gradient MOFs.

  3. Partitioning the regional and local drivers of phylogenetic and functional diversity along temperate elevational gradients on an East Asian peninsula.

    Science.gov (United States)

    Chun, Jung-Hwa; Lee, Chang-Bae

    2018-02-12

    Species-centric approaches to biodiversity in ecological research are limited in their ability to reflect the evolutionary history and functional diversity of community assembly. Recently, the introduction of alternative facets of biodiversity, such as phylogenetic and functional diversity, has shed light on this problem and improved our understanding of the processes underlying biodiversity patterns. Here, we investigated the phylogenetic and functional diversity patterns of α, β and γ components in woody plant assemblages along regional and local elevational gradients in South Korea. Although the patterns of phylogenetic and functional diversity varied along regional and local elevational transects, the main drivers were partitioned into two categories: regional area or climate for phylogenetic diversity, depending on whether the transect was at a regional or local scale; and habitat heterogeneity for functional diversity, which was derived in elevational bands. Moreover, environmental distance was more important than was geographic distance for phylogenetic and functional β diversity between paired elevational bands. These results support the hypothesis that niche-based deterministic processes such as environmental filtering and competitive exclusion are fundamental in structuring woody plant assemblages along temperate elevational gradients regardless of scale (regional vs. local) in our study areas.

  4. Design and analysis of gradient index metamaterial-based cloak with wide bandwidth and physically realizable material parameters

    Science.gov (United States)

    Bisht, Mahesh Singh; Rajput, Archana; Srivastava, Kumar Vaibhav

    2018-04-01

    A cloak based on gradient index metamaterial (GIM) is proposed. Here, the GIM is used, for conversion of propagating waves into surface waves and vice versa, to get the cloaking effect. The cloak is made of metamaterial consisting of four supercells with each supercell possessing the linear spatial variation of permittivity and permeability. The spatial variation of material parameters in supercells allows the conversion of propagating waves into surface waves and vice versa, hence results in reduction of electromagnetic signature of the object. To facilitate the practical implementation of the cloak, continuous spatial variation of permittivity and/or permeability, in each supercell, is discretized into seven segments and it is shown that there is not much deviation in cloaking performance of discretized cloak as compared to its continuous counterpart. The crucial advantage, of the proposed cloaks, is that the material parameters are isotropic and in physically realizable range. Furthermore, the proposed cloaks have been shown to possess bandwidth of the order of 190% which is a significantly improved performance compared to the recently published literature.

  5. Functions of the Materials Review Board

    International Nuclear Information System (INIS)

    Steindler, M.J.; Seefeldt, W.B.

    1984-01-01

    The DOE has established a centralized organization for the assembly and critical review of materials data that are important to the process of licensing a nuclear waste repository. The MRB serves as an independent reviewing body, somewhat similar to standards organizations, that examines test methods and materials data. To a large extent, the criteria used in these reviews are codified, and the review process is highly visible and extensively documented. Approval of test methods or materials data for publication in the Nuclear Waste Materials handbook requires successful completion of three separate reviews that are sufficiently rigorous, yet in accord with the provisions of the NRC licensing approach, so that the resulting documents can be used by DOE with assurance that scientific scrutiny by others will affirm the conclusions of the MRB. The credibility of the review process is reflected in the credibility of the conclusions drawn from the data, thereby allowing the licensing of the repository to proceed expeditiously. 10 references

  6. Logic-Gate Functions in Chemomechanical Materials.

    Science.gov (United States)

    Schneider, Hans-Jörg

    2017-09-06

    Chemomechanical polymers that change their shape or volume on stimulation by multiple external chemical signals, particularly on the basis of selective molecular recognition, are discussed. Several examples illustrate how such materials, usually in the form of hydrogels, can be used for the design of chemically triggered valves or artificial muscles and applied, for example, in self-healing materials or drug delivery. The most attractive feature of such materials is that they can combine sensor and actuator within single units, from nano- to macrosize. Simultaneous action of a cofactor allows selective response in the sense of AND logic gates by, for example, amino acids and peptides, which without the presence of a second effector do not induce any changes. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. 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.

  8. Analysis of Partial Volume Effects on Arterial Input Functions Using Gradient Echo: A Simulation Study

    DEFF Research Database (Denmark)

    Kjølby, Birgitte Fuglsang; Mikkelsen, Irene Klærke; Pedersen, Michael

    2009-01-01

    of an AIF voxel including the relaxation properties of blood and tissue. Artery orientations parallel and perpendicular to the main magnetic field were investigated and AIF voxels were modeled to either include or be situated close to a large artery. The impact of partial volume effects on quantitative...... perfusion metrics was investigated for the gradient echo pulse sequence at 1.5 T and 3.0 T. It is shown that the tissue contribution broadens and introduces fluctuations in the AIF. Furthermore, partial volume effects bias perfusion metrics in a nonlinear fashion, compromising quantitative perfusion...

  9. Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L =1

    Science.gov (United States)

    Bubin, Sergiy; Adamowicz, Ludwik

    2008-03-01

    In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L =1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

  10. Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L=1.

    Science.gov (United States)

    Bubin, Sergiy; Adamowicz, Ludwik

    2008-03-21

    In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L=1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

  11. Functional traits variation explains the distribution of Aextoxicon punctatum (Aextoxicaceae in pronounced moisture gradients within fog-dependent forest fragments

    Directory of Open Access Journals (Sweden)

    Beatriz eSalgado-Negret

    2015-07-01

    Full Text Available Climate change and fragmentation are major threats to world forests. Understanding how functional traits related to drought tolerance change across small-scale, pronounced moisture gradients in fragmented forests is important to predict species’ responses to these threats. In the case of Aextoxicon punctatum, a dominant canopy tree in fog-dependent rain forest patches in semiarid Chile, we explored how the magnitude, variability and correlation patterns of leaf and xylem vessel traits and hydraulic conductivity varied across soil moisture gradients established within and among forest patches of different size, which are associated with differences in tree establishment and mortality patterns. Leaf traits varied across soil-moisture gradients produced by fog interception. Trees growing at drier leeward edges showed higher LMA (leaf mass per area, trichome and stomatal density than trees from the wetter core and windward zones. In contrast, xylem vessel traits (vessels diameter and density did not vary producing loss of hydraulic conductivity at drier leeward edges. We also detected higher levels of phenotypic integration and variability at leeward edges. The ability of A. punctatum to modify leaf traits in response to differences in soil moisture availability established over short distances (<500 m facilitates its persistence in contrasting microhabitats within forest patches. However, xylem anatomy showed limited plasticity, which increases cavitation risk at leeward edges. Greater patch fragmentation, together with fluctuations in irradiance and soil moisture in small patches, could result in higher risk of drought-related tree mortality, with profound impacts on hydrological balances at the ecosystem scale.

  12. Functionalized PDMS with versatile and scalable surface roughness gradients for cell culture

    KAUST Repository

    Zhou, Bingpu

    2015-07-21

    This manuscript describes a simple and versatile approach to engineering surface roughness gradients via combination of microfluidics and photo-polymerization. Through UV-mediated polymerization, N-isopropylacrylamide with concentration gradients are successfully grafted onto PDMS surface, leading to diverse roughness degrees on the obtained PDMS substrate. Furthermore, the extent of surface roughness can be controllably regulated via tuning the flow rate ratio between the monomer solution and deionized water. Average roughness ranging from 8.050 nm to 151.68 nm has well been achieved in this work. Such PDMS samples are also demonstrated to be capable of working as supporting substrates for controlling cell adhesion or detachment. Due to the different degrees of surface roughness on a single substrate, our method provides an effective approach for designing advanced surafecs for cell culture. Finally, the thermosensitive property of N-isopropylacrylamide makes our sample furnish as another means for controlling the cell detachment from the substrates with correspondence to the surrounding temperature.

  13. Functionalized PDMS with versatile and scalable surface roughness gradients for cell culture

    KAUST Repository

    Zhou, Bingpu; Gao, Xinghua; Wang, Cong; Ye, Ziran; Gao, Yibo; Xie, Jiao; Wu, Xiaoxiao; Wen, Weijia

    2015-01-01

    This manuscript describes a simple and versatile approach to engineering surface roughness gradients via combination of microfluidics and photo-polymerization. Through UV-mediated polymerization, N-isopropylacrylamide with concentration gradients are successfully grafted onto PDMS surface, leading to diverse roughness degrees on the obtained PDMS substrate. Furthermore, the extent of surface roughness can be controllably regulated via tuning the flow rate ratio between the monomer solution and deionized water. Average roughness ranging from 8.050 nm to 151.68 nm has well been achieved in this work. Such PDMS samples are also demonstrated to be capable of working as supporting substrates for controlling cell adhesion or detachment. Due to the different degrees of surface roughness on a single substrate, our method provides an effective approach for designing advanced surafecs for cell culture. Finally, the thermosensitive property of N-isopropylacrylamide makes our sample furnish as another means for controlling the cell detachment from the substrates with correspondence to the surrounding temperature.

  14. Modelling decomposition of standard plant material along an altitudinal gradient: A re-analysis of data of Coûteaux et al.

    NARCIS (Netherlands)

    Braakhekke, W.G.; Bruijn, de A.M.G.

    2007-01-01

    We explored an alternative method to analyse data of Cou¿teaux et al. [2002, Soil Biology and Biochemistry 34, 69-78] on the decomposition of a standard organic material in six soils along an altitudinal gradient in the Venezuelan Andes (65-3968 m a.s.l.). Cou¿teaux et al., fitted separate

  15. Do Quercus ilex woodlands undergo abrupt non-linear functional changes in response to human disturbance along a climatic gradient?

    Science.gov (United States)

    Bochet, Esther; García-Fayos, Patricio; José Molina, Maria; Moreno de las Heras, Mariano; Espigares, Tíscar; Nicolau, Jose Manuel; Monleon, Vicente

    2017-04-01

    Theoretical models predict that drylands are particularly prone to suffer critical transitions with abrupt non-linear changes in their structure and functions as a result of the existing complex interactions between climatic fluctuations and human disturbances. However, so far, few studies provide empirical data to validate these models. We aim at determining how holm oak (Quercus ilex) woodlands undergo changes in their functions in response to human disturbance along an aridity gradient (from semi-arid to sub-humid conditions), in eastern Spain. For that purpose, we used (a) remote-sensing estimations of precipitation-use-efficiency (PUE) from enhanced vegetation index (EVI) observations performed in 231x231 m plots of the Moderate Resolution Imaging Spectroradiometer (MODIS); (b) biological and chemical soil parameter determinations (extracellular soil enzyme activity, soil respiration, nutrient cycling processes) from soil sampled in the same plots; (c) vegetation parameter determinations (ratio of functional groups) from vegetation surveys performed in the same plots. We analyzed and compared the shape of the functional change (in terms of PUE and soil and vegetation parameters) in response to human disturbance intensity for our holm oak sites along the aridity gradient. Overall, our results evidenced important differences in the shape of the functional change in response to human disturbance between climatic conditions. Semi-arid areas experienced a more accelerated non-linear decrease with an increasing disturbance intensity than sub-humid ones. The proportion of functional groups (herbaceous vs. woody cover) played a relevant role in the shape of the functional response of the holm oak sites to human disturbance.

  16. A taxonomic, functional, and phylogenetic perspective on the community assembly of passerine birds along an elevational gradient in southwest China.

    Science.gov (United States)

    He, Xuelian; Luo, Kang; Brown, Calum; Lin, Luxiang

    2018-03-01

    Integrating multiple facets of biodiversity to describe spatial and temporal distribution patterns is one way of revealing the mechanisms driving community assembly. We assessed the species, functional, and phylogenetic composition and structure of passerine bird communities along an elevational gradient both in wintering and breeding seasons in the Ailao Mountains, southwest China, in order to identify the dominant ecological processes structuring the communities and how these processes change with elevation and season. Our research confirms that the highest taxonomic diversity, and distinct community composition, was found in the moist evergreen broadleaf forest at high elevation in both seasons. Environmental filtering was the dominant force at high elevations with relatively cold and wet climatic conditions, while the observed value of mean pairwise functional and phylogenetic distances of low elevation was constantly higher than expectation in two seasons, suggested interspecific competition could play the key role at low elevations, perhaps because of relative rich resource result from complex vegetation structure and human-induced disturbance. Across all elevations, there was a trend of decreasing intensity of environmental filtering whereas increasing interspecific competition from wintering season to breeding season. This was likely due to the increased resource availability but reproduction-associated competition in the summer months. In general, there is a clear justification for conservation efforts to protect entire elevational gradients in the Ailao Mountains, given the distinct taxonomic, functional, and phylogenetic compositions and also elevational migration pattern in passerine bird communities.

  17. Proceedings of the second international conference on advanced functional materials

    International Nuclear Information System (INIS)

    2014-01-01

    This conference deals with the functional materials which have been an essential enabling ingredient in the aerospace industry. Advanced functional materials coupled with he enormous possibilities of nanotechnology have the potential to revolutionize applications across several domains like infrastructure, aerospace, energy storage, advanced electronics and biomedical technology. Papers relevant to INIS are indexed separately

  18. Functional nanostructured materials for stormwater runoff treatment

    DEFF Research Database (Denmark)

    Ko, Dongah

    Numerous heavy metal removal practices for stormwater runoff have been studied and applied; however, there is still room for improvement. Among these practices, adsorption has proven to be the most efficient way of removing heavy metals. Commonly used adsorbents have an innate sorption capacity...... in relation to high concentrations of heavy metal ions, but if they are to be used for stormwater runoff, high affinity with rapid sorption kinetics for low concentrations of heavy metals is necessary. Therefore, in this study, new types of functional nanostructured polymer sorbents for effective heavy metal...... removal from stormwater are suggested. First, comparison studies of several existing polymer sorbents were conducted, to find decisive functional groups for removing heavy metals from the solution. To enhance the sorption kinetics and affinity of polymer sorbents in the presence of competing ions, sulphur...

  19. Functionally graded material of 304L stainless steel and inconel 625 fabricated by directed energy deposition: Characterization and thermodynamic modeling

    International Nuclear Information System (INIS)

    Carroll, Beth E.; Otis, Richard A.; Borgonia, John Paul; Suh, Jong-ook; Dillon, R. Peter; Shapiro, Andrew A.; Hofmann, Douglas C.; Liu, Zi-Kui; Beese, Allison M.

    2016-01-01

    Many engineering applications, particularly in extreme environments, require components with properties that vary with location in the part. Functionally graded materials (FGMs), which possess gradients in properties such as hardness or density, are a potential solution to address these requirements. The laser-based additive manufacturing process of directed energy deposition (DED) can be used to fabricate metallic parts with a gradient in composition by adjusting the volume fraction of metallic powders delivered to the melt pool as a function of position. As this is a fusion process, secondary phases may develop in the gradient zone during solidification that can result in undesirable properties in the part. This work describes experimental and thermodynamic studies of a component built from 304L stainless steel incrementally graded to Inconel 625. The microstructure, chemistry, phase composition, and microhardness as a function of position were characterized by microscopy, energy dispersive spectroscopy, X-ray diffraction, and microindentation. Particles of secondary phases were found in small amounts within cracks in the gradient zone. These were ascertained to consist of transition metal carbides by experimental results and thermodynamic calculations. The study provides a combined experimental and thermodynamic computational modeling approach toward the fabrication and evaluation of a functionally graded material made by DED additive manufacturing.

  20. Large gradient high magnetic fields affect osteoblast ultrastructure and function by disrupting collagen I or fibronectin/αβ1 integrin.

    Directory of Open Access Journals (Sweden)

    Ai-Rong Qian

    Full Text Available The superconducting magnet generates a field and field gradient product that can levitate diamagnetic materials. In this study a specially designed superconducting magnet with a large gradient high magnetic field (LG-HMF, which can provide three apparent gravity levels (μ-g, 1-g, and 2-g, was used to simulate a space-like gravity environment. The effects of LG-HMF on the ultrastructure and function of osteoblast-like cells (MG-63 and MC3T3-E1 and the underlying mechanism were investigated by transmission electromicroscopy (TEM, MTT, and cell western (ICW assays. Under LG-HMF significant morphologic changes in osteoblast-like cells occurred, including expansion of endoplasmic reticulum and mitochondria, an increased number of lysosomes, distorted microvilli, and aggregates of actin filaments. Compared to controls, cell viability and alkaline phosphatase (ALP secretion were significantly increased, and collagen I (col I, fibronectin (FN, vinculin, integrin α3, αv, and β1 expression were changed under LG-HMF conditions. In conclusion, LG-HMF affects osteoblast ultrastructure, cell viability, and ALP secretion, and the changes caused by LG-HMF may be related to disrupting col I or FN/αβ1 integrin.

  1. The retrieval of a buried cylindrical obstacle by a constrained modified gradient method in the H-polarization case and for Maxwellian materials

    Science.gov (United States)

    Lambert, M.; Lesselier, D.; Kooij, B. J.

    1998-10-01

    The retrieval of an unknown, possibly inhomogeneous, penetrable cylindrical obstacle buried entirely in a known homogeneous half-space - the constitutive material parameters of the obstacle and of its embedding obey a Maxwell model - is considered from single- or multiple-frequency aspect-limited data collected by ideal sensors located in air above the embedding half-space, when a small number of time-harmonic transverse electric (TE)-polarized line sources - the magnetic field H is directed along the axis of the cylinder - is also placed in air. The wavefield is modelled from a rigorous H-field domain integral-differential formulation which involves the dot product of the gradients of the single component of H and of the Green function of the stratified environment times a scalar-valued contrast function which contains the obstacle parameters (the frequency-independent, position-dependent relative permittivity and conductivity). A modified gradient method is developed in order to reconstruct the maps of such parameters within a prescribed search domain from the iterative minimization of a cost functional which incorporates both the error in reproducing the data and the error on the field built inside this domain. Non-physical values are excluded and convergence reached by incorporating in the solution algorithm, from a proper choice of unknowns, the condition that the relative permittivity be larger than or equal to 1, and the conductivity be non-negative. The efficiency of the constrained method is illustrated from noiseless and noisy synthetic data acquired independently. The importance of the choice of the initial values of the sought quantities, the need for a periodic refreshment of the constitutive parameters to avoid the algorithm providing inconsistent results, and the interest of a frequency-hopping strategy to obtain finer and finer features of the obstacle when the frequency is raised, are underlined. It is also shown that though either the permittivity

  2. Irradiance gradients

    International Nuclear Information System (INIS)

    Ward, G.J.; Heckbert, P.S.; Technische Hogeschool Delft

    1992-04-01

    A new method for improving the accuracy of a diffuse interreflection calculation is introduced in a ray tracing context. The information from a hemispherical sampling of the luminous environment is interpreted in a new way to predict the change in irradiance as a function of position and surface orientation. The additional computation involved is modest and the benefit is substantial. An improved interpolation of irradiance resulting from the gradient calculation produces smoother, more accurate renderings. This result is achieved through better utilization of ray samples rather than additional samples or alternate sampling strategies. Thus, the technique is applicable to a variety of global illumination algorithms that use hemicubes or Monte Carlo sampling techniques

  3. Evaporation Rate of Water as a Function of a Magnetic Field and Field Gradient

    Directory of Open Access Journals (Sweden)

    Peng Shang

    2012-12-01

    Full Text Available The effect of magnetic fields on water is still a highly controversial topic despite the vast amount of research devoted to this topic in past decades. Enhanced water evaporation in a magnetic field, however, is less disputed. The underlying mechanism for this phenomenon has been investigated in previous studies. In this paper, we present an investigation of the evaporation of water in a large gradient magnetic field. The evaporation of pure water at simulated gravity positions (0 gravity level (ab. g, 1 g, 1.56 g and 1.96 g in a superconducting magnet was compared with that in the absence of the magnetic field. The results showed that the evaporation of water was indeed faster in the magnetic field than in the absence of the magnetic field. Furthermore, the amount of water evaporation differed depending on the position of the sample within the magnetic field. In particular, the evaporation at 0 g was clearly faster than that at other positions. The results are discussed from the point of view of the evaporation surface area of the water/air interface and the convection induced by the magnetization force due to the difference in the magnetic susceptibility of water vapor and the surrounding air.

  4. Evaporation rate of water as a function of a magnetic field and field gradient.

    Science.gov (United States)

    Guo, Yun-Zhu; Yin, Da-Chuan; Cao, Hui-Ling; Shi, Jian-Yu; Zhang, Chen-Yan; Liu, Yong-Ming; Huang, Huan-Huan; Liu, Yue; Wang, Yan; Guo, Wei-Hong; Qian, Ai-Rong; Shang, Peng

    2012-12-11

    The effect of magnetic fields on water is still a highly controversial topic despite the vast amount of research devoted to this topic in past decades. Enhanced water evaporation in a magnetic field, however, is less disputed. The underlying mechanism for this phenomenon has been investigated in previous studies. In this paper, we present an investigation of the evaporation of water in a large gradient magnetic field. The evaporation of pure water at simulated gravity positions (0 gravity level (ab. g), 1 g, 1.56 g and 1.96 g) in a superconducting magnet was compared with that in the absence of the magnetic field. The results showed that the evaporation of water was indeed faster in the magnetic field than in the absence of the magnetic field. Furthermore, the amount of water evaporation differed depending on the position of the sample within the magnetic field. In particular, the evaporation at 0 g was clearly faster than that at other positions. The results are discussed from the point of view of the evaporation surface area of the water/air interface and the convection induced by the magnetization force due to the difference in the magnetic susceptibility of water vapor and the surrounding air.

  5. Evaporation Rate of Water as a Function of a Magnetic Field and Field Gradient

    Science.gov (United States)

    Guo, Yun-Zhu; Yin, Da-Chuan; Cao, Hui-Ling; Shi, Jian-Yu; Zhang, Chen-Yan; Liu, Yong-Ming; Huang, Huan-Huan; Liu, Yue; Wang, Yan; Guo, Wei-Hong; Qian, Ai-Rong; Shang, Peng

    2012-01-01

    The effect of magnetic fields on water is still a highly controversial topic despite the vast amount of research devoted to this topic in past decades. Enhanced water evaporation in a magnetic field, however, is less disputed. The underlying mechanism for this phenomenon has been investigated in previous studies. In this paper, we present an investigation of the evaporation of water in a large gradient magnetic field. The evaporation of pure water at simulated gravity positions (0 gravity level (ab. g), 1 g, 1.56 g and 1.96 g) in a superconducting magnet was compared with that in the absence of the magnetic field. The results showed that the evaporation of water was indeed faster in the magnetic field than in the absence of the magnetic field. Furthermore, the amount of water evaporation differed depending on the position of the sample within the magnetic field. In particular, the evaporation at 0 g was clearly faster than that at other positions. The results are discussed from the point of view of the evaporation surface area of the water/air interface and the convection induced by the magnetization force due to the difference in the magnetic susceptibility of water vapor and the surrounding air. PMID:23443127

  6. Gradient COUP-TFI Expression Is Required for Functional Organization of the Hippocampal Septo-Temporal Longitudinal Axis.

    Science.gov (United States)

    Flore, Gemma; Di Ruberto, Giuseppina; Parisot, Joséphine; Sannino, Sara; Russo, Fabio; Illingworth, Elizabeth A; Studer, Michèle; De Leonibus, Elvira

    2017-02-01

    The hippocampus (HP), a medial cortical structure, is subdivided into a distinct dorsal (septal) and ventral (temporal) portion, which is separated by an intermediate region lying on a longitudinal curvature. While the dorsal portion is more dedicated to spatial navigation and memory, the most ventral part processes emotional information. Genetic factors expressed in gradient during development seem to control the size and correct positioning of the HP along its longitudinal axis; however, their roles in regulating differential growth and in supporting its anatomical and functional dissociation remain unexplored. Here, we challenge the in vivo function of the nuclear receptor COUP-TFI (chicken ovalbumin upstream promoter transcription factor 1) in controlling the hippocampal, anatomical, and functional properties along its longitudinal axis. Loss of cortical COUP-TFI function results in a dysmorphic HP with altered shape, volume, and connectivity, particularly in its dorsal and intermediate regions. Notably, topographic inputs from the entorhinal cortex are strongly impaired in the dorsal portion of COUP-TFI mutants. These severe morphological changes are associated with selective spatial learning and memory impairment. These findings identify a novel transcriptional regulator required in the functional organization along the hippocampal septo-temporal axis supporting a genetic basis of the hippocampal volumetric growth with its final shape, circuit, and type of memory function. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  7. Proceedings of DAE-BRNS national workshop on materials chemistry: functional materials

    International Nuclear Information System (INIS)

    2011-12-01

    Design and development of materials with tailored properties assumes great significance in our everyday life and are crucial to modern technologies. Chemistry has had a tremendous Convener role in developing several need based materials by integrating multiple functionalities. The year 2011, being recognised as the International Year of Chemistry by the UNESCO, assumes further significance for material chemists. In view of the renowned interest in advanced functional materials, the Society for Materials Chemistry, India together with Chemistry Division, BARC has taken an initiative to organise this National Workshop on Materials Chemistry (NWMC-2011) under the theme 'Functional Materials (FUN-MAT)'. NWMC- 2011 aims to provide a forum for young researchers to interact with experts involved in synthesis, processing and applications of various advanced functional materials. In particular, recent developments and future prospects of magnetic, electronic and optical materials, glasses, ceramics, soft materials, materials for sensors, materials for hydrogen production and storage etc. will be addressed in this workshop. Papers relevant to INIS are indexed separately

  8. Establishing Functional Relationships between Abiotic Environment, Macrophyte Coverage, Resource Gradients and the Distribution of Mytilus trossulus in a Brackish Non-Tidal Environment.

    Directory of Open Access Journals (Sweden)

    Jonne Kotta

    Full Text Available Benthic suspension feeding mussels are an important functional guild in coastal and estuarine ecosystems. To date we lack information on how various environmental gradients and biotic interactions separately and interactively shape the distribution patterns of mussels in non-tidal environments. Opposing to tidal environments, mussels inhabit solely subtidal zone in non-tidal waterbodies and, thereby, driving factors for mussel populations are expected to differ from the tidal areas. In the present study, we used the boosted regression tree modelling (BRT, an ensemble method for statistical techniques and machine learning, in order to explain the distribution and biomass of the suspension feeding mussel Mytilus trossulus in the non-tidal Baltic Sea. BRT models suggested that (1 distribution patterns of M. trossulus are largely driven by separate effects of direct environmental gradients and partly by interactive effects of resource gradients with direct environmental gradients. (2 Within its suitable habitat range, however, resource gradients had an important role in shaping the biomass distribution of M. trossulus. (3 Contrary to tidal areas, mussels were not competitively superior over macrophytes with patterns indicating either facilitative interactions between mussels and macrophytes or co-variance due to common stressor. To conclude, direct environmental gradients seem to define the distribution pattern of M. trossulus, and within the favourable distribution range, resource gradients in interaction with direct environmental gradients are expected to set the biomass level of mussels.

  9. Use of functional traits to assess changes in stream fish assemblages across a habitat gradient

    Directory of Open Access Journals (Sweden)

    Mariela Domiciano Ribeiro

    Full Text Available Abstract Functional traits are important for understanding the links between species occurrence and environmental conditions. Identifying these links makes it possible to predict changes in species composition within communities under specific environmental conditions. We used functional traits related to habitat use and trophic ecology in order to assess the changes in fish community composition between streams with varying habitat structure. The relationship between the species traits and habitat characteristics was analyzed using an RLQ ordination analysis. Although species were widely distributed in habitats with different structures, physical conditions did favor some species based on their functional characteristics. Eight functional traits were found to be associated with stream habitat structure, allowing us to identify traits that may predict the susceptibility of fish species to physical habitat degradation.

  10. Potential-functional embedding theory for molecules and materials.

    Science.gov (United States)

    Huang, Chen; Carter, Emily A

    2011-11-21

    We introduce a potential-functional embedding theory by reformulating a recently proposed density-based embedding theory in terms of functionals of the embedding potential. This potential-functional based theory completes the dual problem in the context of embedding theory for which density-functional embedding theory has existed for two decades. With this potential-functional formalism, it is straightforward to solve for the unique embedding potential shared by all subsystems. We consider charge transfer between subsystems and discuss how to treat fractional numbers of electrons in subsystems. We show that one is able to employ different energy functionals for different subsystems in order to treat different regions with theories of different levels of accuracy, if desired. The embedding potential is solved for by directly minimizing the total energy functional, and we discuss how to efficiently calculate the gradient of the total energy functional with respect to the embedding potential. Forces are also derived, thereby making it possible to optimize structures and account for nuclear dynamics. We also extend the theory to spin-polarized cases. Numerical examples of the theory are given for some homo- and hetero-nuclear diatomic molecules and a more complicated test of a six-hydrogen-atom chain. We also test our theory in a periodic bulk environment with calculations of basic properties of bulk NaCl, by treating each atom as a subsystem. Finally, we demonstrate the theory for water adsorption on the MgO(001)surface.

  11. Rethinking plant functional types in Earth System Models: pan-tropical analysis of tree survival across environmental gradients

    Science.gov (United States)

    Johnson, D. J.; Needham, J.; Xu, C.; Davies, S. J.; Bunyavejchewin, S.; Giardina, C. P.; Condit, R.; Cordell, S.; Litton, C. M.; Hubbell, S.; Kassim, A. R. B.; Shawn, L. K. Y.; Nasardin, M. B.; Ong, P.; Ostertag, R.; Sack, L.; Tan, S. K. S.; Yap, S.; McDowell, N. G.; McMahon, S.

    2016-12-01

    Terrestrial carbon cycling is a function of the growth and survival of trees. Current model representations of tree growth and survival at a global scale rely on coarse plant functional traits that are parameterized very generally. In view of the large biodiversity in the tropical forests, it is important that we account for the functional diversity in order to better predict tropical forest responses to future climate changes. Several next generation Earth System Models are moving towards a size-structured, trait-based approach to modelling vegetation globally, but the challenge of which and how many traits are necessary to capture forest complexity remains. Additionally, the challenge of collecting sufficient trait data to describe the vast species richness of tropical forests is enormous. We propose a more fundamental approach to these problems by characterizing forests by their patterns of survival. We expect our approach to distill real-world tree survival into a reasonable number of functional types. Using 10 large-area tropical forest plots that span geographic, edaphic and climatic gradients, we model tree survival as a function of tree size for hundreds of species. We found surprisingly few categories of size-survival functions emerge. This indicates some fundamental strategies at play across diverse forests to constrain the range of possible size-survival functions. Initial cluster analysis indicates that four to eight functional forms are necessary to describe variation in size-survival relations. Temporal variation in size-survival functions can be related to local environmental variation, allowing us to parameterize how demographically similar groups of species respond to perturbations in the ecosystem. We believe this methodology will yield a synthetic approach to classifying forest systems that will greatly reduce uncertainty and complexity in global vegetation models.

  12. Functional materials in amperometric sensing polymeric, inorganic, and nanocomposite materials for modified electrodes

    CERN Document Server

    Seeber, Renato; Zanardi, Chiara

    2014-01-01

    Amperometric sensors, biosensors included, particularly rely on suitable electrode materials. Progress in material science has led to a wide variety of options that are available today. For the first time, these novel functional electrode coating materials are reviewed in this monograph, written by and for electroanalytical chemists. This includes intrinsically conducting, redox and ion-exchange polymers, metal and carbon nanostructures, silica based materials. Monolayers and relatively thick films are considered. The authors critically discuss preparation methods, in addition to chemical and

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

    Science.gov (United States)

    2015-12-01

    activities is expected to lead to new devices/ systems /composite materials useful for the USAMRMC. 15. SUBJECT TERMS Functional materials, integrated...fabrication, nanobiotechnology, multifunctional, dimensional integration, nanocomposites, sensor technology, thermoelectrics, solar cells, photovoltaics ...loop measured in the presence of an AC field, and can be increased by tuning several parameters, such as the nanoparticles’ size , saturation

  14. Multicomponent and Dissipative Self-Assembly Approaches : Towards functional materials

    NARCIS (Netherlands)

    Boekhoven, J.

    2012-01-01

    The use of self-assembly has proven to be a powerful approach to create smart and functional materials and has led to a vast variety of successful examples. However, the full potential of self-assembly has not been reached. Despite the number of successful artificial materials based on

  15. Rural–urban gradient and land use in a millenary metropolis: how urbanization affects avian functional groups and the role of old villas in bird assemblage patterning

    OpenAIRE

    L. Vignoli; S. Scirè; M. A. Bologna

    2013-01-01

    Urbanization generally leads to a complex environmental gradient, ranging from almost undisturbed natural areas to highly modified urban landscapes. Here we analyse the effects of a rural–urban gradient on breeding bird communities and functional species groups in remnant natural and semi-natural areas of Rome. A total of 69 breeding bird species were found in the study area. Species richness decreased with increasing urbanization at two spatial scales: the point count...

  16. Functionally gradient materials for thermal barrier coatings in advanced gas turbine systems

    Energy Technology Data Exchange (ETDEWEB)

    Banovic, S.W.; Barmak, K.; Chan, H.M. [Lehigh Univ., Bethlehem, PA (United States)] [and others

    1995-10-01

    New designs for advanced gas turbine engines for power production are required to have higher operating temperatures in order to increase efficiency. However, elevated temperatures will increase the magnitude and severity of environmental degradation of critical turbine components (e.g. combustor parts, turbine blades, etc{hor_ellipsis}). To offset this problem, the usage of thermal barrier coatings (TBCs) has become popular by allowing an increase in maximum inlet temperatures for an operating engine. Although thermal barrier technology is over thirty years old, the principle failure mechanism is the spallation of the ceramic coating at or near the ceramic/bond coat interface. Therefore, it is desirable to develop a coating that combines the thermal barrier qualities of the ceramic layer and the corrosion protection by the metallic bond coat without the detrimental effects associated with the localization of the ceramic/metal interface to a single plane.

  17. Green's function and boundary elements of multifield materials

    CERN Document Server

    Qin, Qing-Hua

    2007-01-01

    Green's Function and Boundary Elements of Multifield Materials contains a comprehensive treatment of multifield materials under coupled thermal, magnetic, electric, and mechanical loads. Its easy-to-understand text clarifies some of the most advanced techniques for deriving Green's function and the related boundary element formulation of magnetoelectroelastic materials: Radon transform, potential function approach, Fourier transform. Our hope in preparing this book is to attract interested readers and researchers to a new field that continues to provide fascinating and technologically important challenges. You will benefit from the authors' thorough coverage of general principles for each topic, followed by detailed mathematical derivation and worked examples as well as tables and figures where appropriate. In-depth explanations of the concept of Green's function Coupled thermo-magneto-electro-elastic analysis Detailed mathematical derivation for Green's functions.

  18. Direct and Indirect Drivers of Moss Community Structure, Function, and Associated Microfauna Across a Successional Gradient

    Science.gov (United States)

    Micael Jonsson; Paul Kardol; Michael J. Gundale; Sheel Bansal; Marie-Charlotte Nilsson; Daniel B. Metcalfe; David A. Wardle

    2015-01-01

    Relative to vascular plants, little is known about what factors control bryophyte communities or how they respond to successional and environmental changes. Bryophytes are abundant in boreal forests, thus changes in moss community composition and functional traits (for example, moisture and nutrient content; rates of photosynthesis and respiration) may have important...

  19. The orthogonal gradients method: A radial basis functions method for solving partial differential equations on arbitrary surfaces

    KAUST Repository

    Piret, Cécile

    2012-05-01

    Much work has been done on reconstructing arbitrary surfaces using the radial basis function (RBF) method, but one can hardly find any work done on the use of RBFs to solve partial differential equations (PDEs) on arbitrary surfaces. In this paper, we investigate methods to solve PDEs on arbitrary stationary surfaces embedded in . R3 using the RBF method. We present three RBF-based methods that easily discretize surface differential operators. We take advantage of the meshfree character of RBFs, which give us a high accuracy and the flexibility to represent the most complex geometries in any dimension. Two out of the three methods, which we call the orthogonal gradients (OGr) methods are the result of our work and are hereby presented for the first time. © 2012 Elsevier Inc.

  20. Quantitative Imaging of Cholinergic Interneurons Reveals a Distinctive Spatial Organization and a Functional Gradient across the Mouse Striatum.

    Directory of Open Access Journals (Sweden)

    Miriam Matamales

    Full Text Available Information processing in the striatum requires the postsynaptic integration of glutamatergic and dopaminergic signals, which are then relayed to the output nuclei of the basal ganglia to influence behavior. Although cellularly homogeneous in appearance, the striatum contains several rare interneuron populations which tightly modulate striatal function. Of these, cholinergic interneurons (CINs have been recently shown to play a critical role in the control of reward-related learning; however how the striatal cholinergic network is functionally organized at the mesoscopic level and the way this organization influences striatal function remains poorly understood. Here, we systematically mapped and digitally reconstructed the entire ensemble of CINs in the mouse striatum and quantitatively assessed differences in densities, spatial arrangement and neuropil content across striatal functional territories. This approach demonstrated that the rostral portion of the striatum contained a higher concentration of CINs than the caudal striatum and that the cholinergic content in the core of the ventral striatum was significantly lower than in the rest of the regions. Additionally, statistical comparison of spatial point patterns in the striatal cholinergic ensemble revealed that only a minor portion of CINs (17% aggregated into cluster and that they were predominantly organized in a random fashion. Furthermore, we used a fluorescence reporter to estimate the activity of over two thousand CINs in naïve mice and found that there was a decreasing gradient of CIN overall function along the dorsomedial-to-ventrolateral axis, which appeared to be independent of their propensity to aggregate within the striatum. Altogether this work suggests that the regulation of striatal function by acetylcholine across the striatum is highly heterogeneous, and that signals originating in external afferent systems may be principally determining the function of CINs in the

  1. Environmental gradient favours functionally diverse macrobenthic community in a placer rich tropical bay

    Digital Repository Service at National Institute of Oceanography (India)

    Sivadas, S.K.; Ingole, B.S.; Fernandes, C.E.G.

    .2. Functional Group. Macrofaunae were divided into func- tional groups based upon their trophic guilds, mobility, and habit type. Trophic groups used in this study were surface- deposit feeder (SDF), subsurface-deposit feeder (SSDF), filter feeder (FF), grazer... (GR), omnivore (O), and carnivore (C). Mobility categories included: mobile (M), discretely mobile (D), and sessile (S). Five categories of habit type were classified free living, that is, living on surface or actively burrowing (F), tubiculous (T...

  2. Dung beetle community and functions along a habitat-disturbance gradient in the Amazon: a rapid assessment of ecological functions associated to biodiversity.

    Directory of Open Access Journals (Sweden)

    Rodrigo F Braga

    Full Text Available Although there is increasing interest in the effects of habitat disturbance on community attributes and the potential consequences for ecosystem functioning, objective approaches linking biodiversity loss to functional loss are uncommon. The objectives of this study were to implement simultaneous assessment of community attributes (richness, abundance and biomass, each calculated for total-beetle assemblages as well as small- and large-beetle assemblages and three ecological functions of dung beetles (dung removal, soil perturbation and secondary seed dispersal, to compare the effects of habitat disturbance on both sets of response variables, and their relations. We studied dung beetle community attributes and functions in five land-use systems representing a disturbance gradient in the Brazilian Amazon: primary forest, secondary forest, agroforestry, agriculture and pasture. All response variables were affected negatively by the intensification of habitat disturbance regimes, but community attributes and ecological functions did not follow the same pattern of decline. A hierarchical partitioning analysis showed that, although all community attributes had a significant effect on the three ecological functions (except the abundance of small beetles on all three ecological functions and the biomass of small beetles on secondary dispersal of large seed mimics, species richness and abundance of large beetles were the community attributes with the highest explanatory value. Our results show the importance of measuring ecological function empirically instead of deducing it from community metrics.

  3. Hydrogen bonded columnar liquid crystals for nanostructured functional materials

    NARCIS (Netherlands)

    Fitié, C.F.C.

    2010-01-01

    Many functional materials rely on a well-organized internal structure for their functional properties. The length scale of this organization can vary from the atomic level (e.g., piezoelectric crystals) to a macroscopic length scale exceeding the dimensions of individual molecules (e.g., porous

  4. 3D printing of bacteria into functional complex materials.

    Science.gov (United States)

    Schaffner, Manuel; Rühs, Patrick A; Coulter, Fergal; Kilcher, Samuel; Studart, André R

    2017-12-01

    Despite recent advances to control the spatial composition and dynamic functionalities of bacteria embedded in materials, bacterial localization into complex three-dimensional (3D) geometries remains a major challenge. We demonstrate a 3D printing approach to create bacteria-derived functional materials by combining the natural diverse metabolism of bacteria with the shape design freedom of additive manufacturing. To achieve this, we embedded bacteria in a biocompatible and functionalized 3D printing ink and printed two types of "living materials" capable of degrading pollutants and of producing medically relevant bacterial cellulose. With this versatile bacteria-printing platform, complex materials displaying spatially specific compositions, geometry, and properties not accessed by standard technologies can be assembled from bottom up for new biotechnological and biomedical applications.

  5. Material selection for Multi-Function Waste Tank Facility tanks

    International Nuclear Information System (INIS)

    Carlos, W.C.

    1994-01-01

    This report briefly summarizes the history of the materials selection for the US Department of Energy's high-level waste carbon steel storage tanks. It also provide an evaluation of the materials for the construction of new tanks at the Multi-Function Waste Tank Facility. The evaluation included a materials matrix that summarized the critical design, fabrication, construction, and corrosion resistance requirements; assessed each requirement; and cataloged the advantages and disadvantages of each material. This evaluation is based on the mission of the Multi-Function Waste Tank Facility. On the basis of the compositions of the wastes stored in Hanford waste tanks, it is recommended that tanks for the Multi-Function Waste Tank Facility be constructed of normalized ASME SA 516, Grade 70, carbon steel

  6. A valuation method on physiological functionality of food materials

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-10-15

    This reports is about valuation method on physiological functionality of food materials. It includes ten reports: maintenance condition of functional foods in Korea by Kim, Byeong Tae, management plan and classification of functional foods by Jung, Myeong Seop, measurement method vitality of functional foods for preventing diabetes, measurement way of aging delayed activation by Lee, Jae Yong, improvement on effectiveness of anti hypertension by functional foods by Park, Jeon Hong, and practice case for the method of test on anti gastritis antiulcer by Lee, Eun Bang.

  7. A valuation method on physiological functionality of food materials

    International Nuclear Information System (INIS)

    2001-10-01

    This reports is about valuation method on physiological functionality of food materials. It includes ten reports: maintenance condition of functional foods in Korea by Kim, Byeong Tae, management plan and classification of functional foods by Jung, Myeong Seop, measurement method vitality of functional foods for preventing diabetes, measurement way of aging delayed activation by Lee, Jae Yong, improvement on effectiveness of anti hypertension by functional foods by Park, Jeon Hong, and practice case for the method of test on anti gastritis antiulcer by Lee, Eun Bang.

  8. Distinct taxonomic and functional composition of soil microbiomes along the gradient forest-restinga-mangrove in southeastern Brazil.

    Science.gov (United States)

    Mendes, Lucas William; Tsai, Siu Mui

    2018-01-01

    Soil microorganisms play crucial roles in ecosystem functioning, and the central goal in microbial ecology studies is to elucidate which factors shape community structure. A better understanding of the relationship between microbial diversity, functions and environmental parameters would increase our ability to set conservation priorities. Here, the bacterial and archaeal community structure in Atlantic Forest, restinga and mangrove soils was described and compared based on shotgun metagenomics. We hypothesized that each distinct site would harbor a distinct taxonomic and functional soil community, which is influenced by environmental parameters. Our data showed that the microbiome is shaped by soil properties, with pH, base saturation, boron and iron content significantly correlated to overall community structure. When data of specific phyla were correlated to specific soil properties, we demonstrated that parameters such as boron, copper, sulfur, potassium and aluminum presented significant correlation with the most number of bacterial groups. Mangrove soil was the most distinct site and presented the highest taxonomic and functional diversity in comparison with forest and restinga soils. From the total 34 microbial phyla identified, 14 were overrepresented in mangrove soils, including several archaeal groups. Mangrove soils hosted a high abundance of sequences related to replication, survival and adaptation; forest soils included high numbers of sequences related to the metabolism of nutrients and other composts; while restinga soils included abundant genes related to the metabolism of carbohydrates. Overall, our finds show that the microbial community structure and functional potential were clearly different across the environmental gradient, followed by functional adaptation and both were related to the soil properties.

  9. Some functional properties of composite material based on scrap tires

    Science.gov (United States)

    Plesuma, Renate; Malers, Laimonis

    2013-09-01

    The utilization of scrap tires still obtains a remarkable importance from the aspect of unloading the environment from non-degradable waste [1]. One of the most prospective ways for scrap tires reuse is a production of composite materials [2] This research must be considered as a continuation of previous investigations [3, 4]. It is devoted to the clarification of some functional properties, which are considered important for the view of practical applications, of the composite material. Some functional properties of the material were investigated, for instance, the compressive stress at different extent of deformation of sample (till 67% of initial thickness) (LVS EN 826) [5] and the resistance to UV radiation (modified method based on LVS EN 14836) [6]. Experiments were realized on the purposefully selected samples. The results were evaluated in the correlation with potential changes of Shore C hardness (Shore scale, ISO 7619-1, ISO 868) [7, 8]. The results showed noticeable resistance of the composite material against the mechanical influence and ultraviolet (UV) radiation. The correlation with the composition of the material, activity of binder, definite technological parameters, and the conditions supported during the production, were determined. It was estimated that selected properties and characteristics of the material are strongly dependent from the composition and technological parameters used in production of the composite material, and from the size of rubber crumb. Obtained results show possibility to attain desirable changes in the composite material properties by changing both the composition and technological parameters of examined material.

  10. Review on Advances of Functional Material for Additive Manufacturing

    Science.gov (United States)

    Zulkifli, Nur Amalina Binti; Akmal Johar, Muhammad; Faizan Marwah, Omar Mohd; Irwan Ibrahim, Mohd Halim

    2017-08-01

    The attempt of finding and making new materials in improving products that are already in the market are widely done by researchers nowadays. This project is focusing on making new materials for functional material through additive manufacturing application. The idea of this project came from the ability limitation of capacitor in market nowadays in storing higher charges but smaller in size. Powder glass is the new material that could to be used as a dielectric material for capacitor with the help of palm kernel oil as the binder. This paper reviews on applications done through additive manufacturing method and also types of functional materials used in this method previously. Structure of a capacitor, dielectric properties and measurement techniques that are trying to be carried out are also explains in this paper. Last part of this paper brief on the material proposal and reasons those materials are chosen. New dielectric material for capacitor which are able to store more charges but still small in size are expected to be produced as the outcome of this research.

  11. 3D printing functional materials and devices (Conference Presentation)

    Science.gov (United States)

    McAlpine, Michael C.

    2017-05-01

    The development of methods for interfacing high performance functional devices with biology could impact regenerative medicine, smart prosthetics, and human-machine interfaces. Indeed, the ability to three-dimensionally interweave biological and functional materials could enable the creation of devices possessing unique geometries, properties, and functionalities. Yet, most high quality functional materials are two dimensional, hard and brittle, and require high crystallization temperatures for maximal performance. These properties render the corresponding devices incompatible with biology, which is three-dimensional, soft, stretchable, and temperature sensitive. We overcome these dichotomies by: 1) using 3D printing and scanning for customized, interwoven, anatomically accurate device architectures; 2) employing nanotechnology as an enabling route for overcoming mechanical discrepancies while retaining high performance; and 3) 3D printing a range of soft and nanoscale materials to enable the integration of a diverse palette of high quality functional nanomaterials with biology. 3D printing is a multi-scale platform, allowing for the incorporation of functional nanoscale inks, the printing of microscale features, and ultimately the creation of macroscale devices. This three-dimensional blending of functional materials and `living' platforms may enable next-generation 3D printed devices.

  12. Functionalized Materials From Elastomers to High Performance Thermoplastics

    Energy Technology Data Exchange (ETDEWEB)

    Salazar, Laura Ann [Iowa State Univ., Ames, IA (United States)

    2003-01-01

    Synthesis and incorporation of functionalized materials continues to generate significant research interest in academia and in industry. If chosen correctly, a functional group when incorporated into a polymer can deliver enhanced properties, such as adhesion, water solubility, thermal stability, etc. The utility of these new materials has been demonstrated in drug-delivery systems, coatings, membranes and compatibilizers. Two approaches exist to functionalize a material. The desired moiety can be added to the monomer either before or after polymerization. The polymers used range from low glass transition temperature elastomers to high glass transition temperature, high performance materials. One industrial example of the first approach is the synthesis of Teflon(reg. sign). Poly(tetrafluoroethylene) (PTFE or Teflon(reg. sign)) is synthesized from tetrafluoroethylene, a functionalized monomer. The resulting material has significant property differences from the parent, poly(ethylene). Due to the fluorine in the polymer, PTFE has excellent solvent and heat resistance, a low surface energy and a low coefficient of friction. This allows the material to be used in high temperature applications where the surface needs to be nonabrasive and nonstick. This material has a wide spread use in the cooking industry because it allows for ease of cooking and cleaning as a nonstick coating on cookware. One of the best examples of the second approach, functionalization after polymerization, is the vulcanization process used to make tires. Natural rubber (from the Hevea brasiliensis) has a very low glass transition temperature, is very tacky and would not be useful to make tires without synthetic alteration. Goodyear's invention was the vulcanization of polyisoprene by crosslinking the material with sulfur to create a rubber that was tough enough to withstand the elements of weather and road conditions. Due to the development of polymerization techniques to make cis

  13. MUSE observations of M87: radial gradients for the stellar initial-mass function and the abundance of Sodium

    Science.gov (United States)

    Sarzi, Marc; Spiniello, Chiara; Barbera, Francesco La; Krajnović, Davor; Bosch, Remco van den

    2018-05-01

    Based on MUSE integral-field data we present evidence for a radial variation at the low-mass end of the stellar initial-mass function (IMF) in the central regions of the giant early-type galaxy NGC 4486 (M87). We used state-of-the-art stellar population models and the observed strength of various IMF-sensitive absorption-line features to solve for the best low-mass tapered "bimodal" form of the IMF, while accounting also for variations in stellar metallicity, the overall α-elements abundance and the abundance of individual elements such as Ti, O, Na and Ca. Our analysis reveals a strong negative IMF gradient corresponding to an exceeding fraction of low-mass stars compared to the case of the Milky Way toward the center of M87, which drops to nearly Milky-way levels by 0.4 Re. Such IMF variations correspond to over a factor two increase in stellar mass-to-light M/L ratio compared to the case of a Milky-way IMF, consistent with independent constraints on M/L radial variations in M87 from dynamical models. We also looked into the abundance of Sodium in M87, which turned up to be super-Solar over the entire radial range of our MUSE observations and to exhibit a considerable negative gradient. These findings suggest an additional role of metallicity in boosting the Na-yields in the central, metal-rich regions of M87 during its early and brief star-formation history. Our work adds M87 to the few objects that presently have radial constraints on their IMF or [Na/Fe] abundance, while also illustrating the accuracy that MUSE could bring to this kind of investigations.

  14. A substrate independent approach for generation of surface gradients

    Energy Technology Data Exchange (ETDEWEB)

    Goreham, Renee V. [Mawson Institute, University of South Australia, Mawson Lakes 5095 (Australia); Mierczynska, Agnieszka; Pierce, Madelene [Ian Wark Research Institute, University of South Australia, Mawson Lakes 5095 (Australia); Short, Robert D.; Taheri, Shima; Bachhuka, Akash; Cavallaro, Alex; Smith, Louise E. [Mawson Institute, University of South Australia, Mawson Lakes 5095 (Australia); Vasilev, Krasimir, E-mail: krasimir.vasilev@unisa.edu.au [Mawson Institute, University of South Australia, Mawson Lakes 5095 (Australia)

    2013-01-01

    Recently, surface gradients have attracted significant interest for various research and technological applications. In this paper, we report a facile and versatile method for generating surface gradients of immobilized nanoparticles, nanotopography and ligands that is independent from the substrate material. The method consists of first depositing a functional polymer layer on a substrate and subsequent time controlled immersion of this functionalized substrate in solution gold nanoparticles (AuNPs), silver nanoparticles (AgNPs) or poly (styrenesulfonate) (PSS). Chemical characterization by X-ray Photoelectron Spectroscopy (XPS) and morphological analysis by Atomic Force Microscopy (AFM) show that the density of nanoparticles and the concentration of PSS across the surface increases in a gradient manner. As expected, time of immersion determines the concentration of surface bound species. We also demonstrate the generation of surface gradients of pure nanotopography. This is achieved by depositing a 5 nm thick plasma polymer layer on top of the number density gradient of nanoparticles to achieve a homogeneous surface chemistry. The surface independent approach for generation of surface gradients presented in this paper may open opportunities for a wider use of surface gradient in research and in various technologies. - Highlights: ► We present a substrate independent approach for generation of surface gradients. ► We demonstrate well-defined density gradients of gold and silver nanoparticles. ► We provide an example of pure surface nanotopography gradients. ► We demonstrate concentration gradients of bound ligands.

  15. A substrate independent approach for generation of surface gradients

    International Nuclear Information System (INIS)

    Goreham, Renee V.; Mierczynska, Agnieszka; Pierce, Madelene; Short, Robert D.; Taheri, Shima; Bachhuka, Akash; Cavallaro, Alex; Smith, Louise E.; Vasilev, Krasimir

    2013-01-01

    Recently, surface gradients have attracted significant interest for various research and technological applications. In this paper, we report a facile and versatile method for generating surface gradients of immobilized nanoparticles, nanotopography and ligands that is independent from the substrate material. The method consists of first depositing a functional polymer layer on a substrate and subsequent time controlled immersion of this functionalized substrate in solution gold nanoparticles (AuNPs), silver nanoparticles (AgNPs) or poly (styrenesulfonate) (PSS). Chemical characterization by X-ray Photoelectron Spectroscopy (XPS) and morphological analysis by Atomic Force Microscopy (AFM) show that the density of nanoparticles and the concentration of PSS across the surface increases in a gradient manner. As expected, time of immersion determines the concentration of surface bound species. We also demonstrate the generation of surface gradients of pure nanotopography. This is achieved by depositing a 5 nm thick plasma polymer layer on top of the number density gradient of nanoparticles to achieve a homogeneous surface chemistry. The surface independent approach for generation of surface gradients presented in this paper may open opportunities for a wider use of surface gradient in research and in various technologies. - Highlights: ► We present a substrate independent approach for generation of surface gradients. ► We demonstrate well-defined density gradients of gold and silver nanoparticles. ► We provide an example of pure surface nanotopography gradients. ► We demonstrate concentration gradients of bound ligands

  16. A sensitivity function-based conjugate gradient method for optical tomography with the frequency-domain equation of radiative transfer

    International Nuclear Information System (INIS)

    Kim, Hyun Keol; Charette, Andre

    2007-01-01

    The Sensitivity Function-based Conjugate Gradient Method (SFCGM) is described. This method is used to solve the inverse problems of function estimation, such as the local maps of absorption and scattering coefficients, as applied to optical tomography for biomedical imaging. A highly scattering, absorbing, non-reflecting, non-emitting medium is considered here and simultaneous reconstructions of absorption and scattering coefficients inside the test medium are achieved with the proposed optimization technique, by using the exit intensity measured at boundary surfaces. The forward problem is solved with a discrete-ordinates finite-difference method on the framework of the frequency-domain full equation of radiative transfer. The modulation frequency is set to 600 MHz and the frequency data, obtained with the source modulation, is used as the input data. The inversion results demonstrate that the SFCGM can retrieve simultaneously the spatial distributions of optical properties inside the medium within a reasonable accuracy, by significantly reducing a cross-talk between inter-parameters. It is also observed that the closer-to-detector objects are better retrieved

  17. Energy absorption behaviors of nanoporous materials functionalized (NMF) liquids

    OpenAIRE

    Kim, Tae Wan

    2011-01-01

    For many decades, people have been actively investigating high-performance energy absorption materials, so as to develop lightweight and small-sized protective and damping devices, such as blast mitigation helmets, vehicle armors, etc. Recently, the high energy absorption efficiency of nanoporous materials functionalized (NMF) liquids has drawn considerable attention. A NMF liquid is usually a liquid suspension of nanoporous particles with large nanopore surface areas (100 - 2,000 m²/g). The ...

  18. Recent Advances as Materials of Functional Metal-Organic Frameworks

    Directory of Open Access Journals (Sweden)

    Xiao-Lan Tong

    2013-01-01

    Full Text Available Metal-organic frameworks (MOFs, also known as hybrid inorganic-organic materials, represent an emerging class of materials that have attracted the imagination of solid-state chemists because MOFs combine unprecedented levels of porosity with a range of other functional properties that occur through the metal moiety and/or the organic ligand. The purpose of this critical review is to give a representative and comprehensive overview of the arising developments in the field of functional metal-organic frameworks, including luminescence, magnetism, and porosity through presenting examples. This review will be of interest to researchers and synthetic chemists attempting to design multifunctional MOFs.

  19. IFMIF suitability for evaluation of fusion functional materials

    International Nuclear Information System (INIS)

    Casal, N.; Sordo, F.; Mota, F.; Jordanova, J.; Garcia, A.; Ibarra, A.; Vila, R.; Rapisarda, D.; Queral, V.; Perlado, M.

    2011-01-01

    The International Fusion Materials Irradiation Facility (IFMIF) is a future neutron source based on the D-Li stripping reaction, planned to test candidate fusion materials at relevant fusion irradiation conditions. During the design of IFMIF special attention was paid to the structural materials for the blanket and first wall, because they will be exposed to the most severe irradiation conditions in a fusion reactor. Also the irradiation of candidate materials for solid breeder blankets is planned in the IFMIF reference design. This paper focuses on the assessment of the suitability of IFMIF irradiation conditions for testing functional materials to be used in liquid blankets and diagnostics systems, since they are been also considered within IFMIF objectives. The study has been based on the analysis and comparison of the main expected irradiation parameters in IFMIF and DEMO reactor.

  20. Aeroelastic Tailoring of a Plate Wing with Functionally Graded Materials

    Science.gov (United States)

    Dunning, Peter D.; Stanford, Bret K.; Kim, H. Alicia; Jutte, Christine V.

    2014-01-01

    This work explores the use of functionally graded materials for the aeroelastic tailoring of a metallic cantilevered plate-like wing. Pareto trade-off curves between dynamic stability (flutter) and static aeroelastic stresses are obtained for a variety of grading strategies. A key comparison is between the effectiveness of material grading, geometric grading (i.e., plate thickness variations), and using both simultaneously. The introduction of material grading does, in some cases, improve the aeroelastic performance. This improvement, and the physical mechanism upon which it is based, depends on numerous factors: the two sets of metallic material parameters used for grading, the sweep of the plate, the aspect ratio of the plate, and whether the material is graded continuously or discretely.

  1. Disorder and strain-induced complexity in functional materials

    CERN Document Server

    Saxena, Avadh; Planes, Antoni; Kakeshita, Tomoyuki

    2012-01-01

    This book brings together an emerging consensus on our understanding of the complex functional materials including ferroics, perovskites, multiferroics, CMR and high-temperature superconductors. The common theme is the existence of many competing ground states and frustration as a collusion of spin, charge, orbital and lattice degrees of freedom in the presence of disorder and (both dipolar and elastic) long-range forces. An important consequence of the complex unit cell and the competing interactions is that the emergent materials properties are very sensitive to external fields thus rendering these materials with highly desirable, technologically important applications enabled by cross-response.

  2. Electronic fitness function for screening semiconductors as thermoelectric materials

    International Nuclear Information System (INIS)

    Xing, Guangzong; Sun, Jifeng; Li, Yuwei; Fan, Xiaofeng

    2017-01-01

    Here, we introduce a simple but efficient electronic fitness function (EFF) that describes the electronic aspect of the thermoelectric performance. This EFF finds materials that overcome the inverse relationship between σ and S based on the complexity of the electronic structures regardless of specific origin (e.g., isosurface corrugation, valley degeneracy, heavy-light bands mixture, valley anisotropy or reduced dimensionality). This function is well suited for application in high throughput screening. We applied this function to 75 different thermoelectric and potential thermoelectric materials including full- and half-Heuslers, binary semiconductors, and Zintl phases. We find an efficient screening using this transport function. The EFF identifies known high-performance p- and n-type Zintl phases and half-Heuslers. In addition, we find some previously unstudied phases with superior EFF.

  3. Love waves in functionally graded piezoelectric materials by stiffness matrix method.

    Science.gov (United States)

    Ben Salah, Issam; Wali, Yassine; Ben Ghozlen, Mohamed Hédi

    2011-04-01

    A numerical matrix method relative to the propagation of ultrasonic guided waves in functionally graded piezoelectric heterostructure is given in order to make a comparative study with the respective performances of analytical methods proposed in literature. The preliminary obtained results show a good agreement, however numerical approach has the advantage of conceptual simplicity and flexibility brought about by the stiffness matrix method. The propagation behaviour of Love waves in a functionally graded piezoelectric material (FGPM) is investigated in this article. It involves a thin FGPM layer bonded perfectly to an elastic substrate. The inhomogeneous FGPM heterostructure has been stratified along the depth direction, hence each state can be considered as homogeneous and the ordinary differential equation method is applied. The obtained solutions are used to study the effect of an exponential gradient applied to physical properties. Such numerical approach allows applying different gradient variation for mechanical and electrical properties. For this case, the obtained results reveal opposite effects. The dispersive curves and phase velocities of the Love wave propagation in the layered piezoelectric film are obtained for electrical open and short cases on the free surface, respectively. The effect of gradient coefficients on coupled electromechanical factor, on the stress fields, the electrical potential and the mechanical displacement are discussed, respectively. Illustration is achieved on the well known heterostructure PZT-5H/SiO(2), the obtained results are especially useful in the design of high-performance acoustic surface devices and accurately prediction of the Love wave propagation behaviour. Copyright © 2010 Elsevier B.V. All rights reserved.

  4. Host Plant Physiology and Mycorrhizal Functioning Shift across a Glacial through Future [CO2] Gradient1[OPEN

    Science.gov (United States)

    Mullinix, George W.R.; Ward, Joy K.

    2016-01-01

    Rising atmospheric carbon dioxide concentration ([CO2]) may modulate the functioning of mycorrhizal associations by altering the relative degree of nutrient and carbohydrate limitations in plants. To test this, we grew Taraxacum ceratophorum and Taraxacum officinale (native and exotic dandelions) with and without mycorrhizal fungi across a broad [CO2] gradient (180–1,000 µL L−1). Differential plant growth rates and vegetative plasticity were hypothesized to drive species-specific responses to [CO2] and arbuscular mycorrhizal fungi. To evaluate [CO2] effects on mycorrhizal functioning, we calculated response ratios based on the relative biomass of mycorrhizal (MBio) and nonmycorrhizal (NMBio) plants (RBio = [MBio − NMBio]/NMBio). We then assessed linkages between RBio and host physiology, fungal growth, and biomass allocation using structural equation modeling. For T. officinale, RBio increased with rising [CO2], shifting from negative to positive values at 700 µL L−1. [CO2] and mycorrhizal effects on photosynthesis and leaf growth rates drove shifts in RBio in this species. For T. ceratophorum, RBio increased from 180 to 390 µL L−1 and further increases in [CO2] caused RBio to shift from positive to negative values. [CO2] and fungal effects on plant growth and carbon sink strength were correlated with shifts in RBio in this species. Overall, we show that rising [CO2] significantly altered the functioning of mycorrhizal associations. These symbioses became more beneficial with rising [CO2], but nonlinear effects may limit plant responses to mycorrhizal fungi under future [CO2]. The magnitude and mechanisms driving mycorrhizal-CO2 responses reflected species-specific differences in growth rate and vegetative plasticity, indicating that these traits may provide a framework for predicting mycorrhizal responses to global change. PMID:27573369

  5. Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Shunsuke A. [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Taniguchi, Yasutaka [Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan); Department of Medical and General Sciences, Nihon Institute of Medical Science, 1276 Shimogawara, Moroyama-Machi, Iruma-Gun, Saitama 350-0435 (Japan); Shinohara, Yasushi [Max Planck Institute of Microstructure Physics, 06120 Halle (Germany); Yabana, Kazuhiro [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan)

    2015-12-14

    We develop methods to calculate electron dynamics in crystalline solids in real-time time-dependent density functional theory employing exchange-correlation potentials which reproduce band gap energies of dielectrics; a meta-generalized gradient approximation was proposed by Tran and Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TBm-BJ) and a hybrid functional was proposed by Heyd, Scuseria, and Ernzerhof [J. Chem. Phys. 118, 8207 (2003)] (HSE). In time evolution calculations employing the TB-mBJ potential, we have found it necessary to adopt the predictor-corrector step for a stable time evolution. We have developed a method to evaluate electronic excitation energy without referring to the energy functional which is unknown for the TB-mBJ potential. For the HSE functional, we have developed a method for the operation of the Fock-like term in Fourier space to facilitate efficient use of massive parallel computers equipped with graphic processing units. We compare electronic excitations in silicon and germanium induced by femtosecond laser pulses using the TB-mBJ, HSE, and a simple local density approximation (LDA). At low laser intensities, electronic excitations are found to be sensitive to the band gap energy: they are close to each other using TB-mBJ and HSE and are much smaller in LDA. At high laser intensities close to the damage threshold, electronic excitation energies do not differ much among the three cases.

  6. CHAPTER 9 : Virus-based systems for functional materials

    NARCIS (Netherlands)

    Verwegen, Martijn; Cornelissen, Jeroen J.L.M.; Boker, Alexander; van Rijn, Patrick

    2015-01-01

    Virus-based bionanotechnology holds the promise of control over the structure, properties and functionality of materials at the nanometre scale. After all, viruses, and by extension virus-like particles (VLPs), represent some of the largest hierarchical protein constructs found in Nature. Their

  7. Functionally graded materials for impedance matching in elastic media

    International Nuclear Information System (INIS)

    Chen, Shi; Zhang, Yinhong; Hao, Changchun; Lin, Shuyu; Fu, Zhiqiang

    2014-01-01

    When functionally graded material layers are inserted between two impedance mismatching media, passbands with extremely large bandwidths can appear in these layered systems. An accurate and effective iterative method is developed to deal with these layered systems with extremely large layer number.

  8. Functionally graded materials for impedance matching in elastic media

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Shi; Zhang, Yinhong, E-mail: zyh5337@163.com; Hao, Changchun; Lin, Shuyu; Fu, Zhiqiang

    2014-01-03

    When functionally graded material layers are inserted between two impedance mismatching media, passbands with extremely large bandwidths can appear in these layered systems. An accurate and effective iterative method is developed to deal with these layered systems with extremely large layer number.

  9. Interfacial adhesion of laser clad functionally graded materials

    NARCIS (Netherlands)

    Pei, Y. T.; Ocelik, V.; De Hosson, J. T. M.

    2003-01-01

    Specially designed samples of laser clad AlSi40 functionally graded materials (FGM) are made for evaluating the interfacial adhesion. To obtain the interfacial bond strength notches are made right at the interface of the FGMs. In-situ microstructural observations during straining in a field-emission

  10. Interfacial adhesion of laser clad functionally graded materials

    NARCIS (Netherlands)

    De Hosson, JTM; Pei, YT; Ocelik, [No Value; Sudarshan, TS; Stiglich, JJ; Jeandin, M

    2002-01-01

    Specially designed samples of laser clad AlSi40 functionally graded materials (FGM) are made for evaluating the interfacial adhesion. To obtain the interfacial bond strength notches are made right at the interface of the FGMs. In-sitit microstructural observations during straining in an FEG-ESEM

  11. Functionally graded materials produced with high power lasers

    NARCIS (Netherlands)

    De Hosson, J. T. M.; Ocelik, V.; Chandra, T; Torralba, JM; Sakai, T

    2003-01-01

    In this keynote paper two examples will be present of functionally graded materials produced with high power Nd:YAG lasers. In particular the conditions for a successful Laser Melt Injection (LMI) of SiC and WC particles into the melt pool of A18Si and Ti6Al4V alloys are presented. The formation of

  12. Functional polymeric materials : Complexing amphiphiles as structure-inducing elements

    NARCIS (Netherlands)

    ten Brinke, G.; Ikkala, O.

    2003-01-01

    Self-assembly of polymeric comb-shaped supramolecules is a powerful tool to prepare functional materials. Enhanced conductivity due to hexagonal self-organization of conducting polyaniline and polarized photoluminance in solid-state films of rodlike poly(2,5-pyridinediyl) obtained by removing

  13. Geometrically non linear analysis of functionally graded material ...

    African Journals Online (AJOL)

    user

    when compared to the other engineering materials (Akhavan and Hamed, 2010). However, FGM plates under mechanical loading may undergo elastic instability. Hence, the non-linear behavior of functionally graded plates has to be understood for their optimum design. Reddy (2000) proposed the theoretical formulation ...

  14. Bidirectional reflectance distribution function measurements and analysis of retroreflective materials.

    Science.gov (United States)

    Belcour, Laurent; Pacanowski, Romain; Delahaie, Marion; Laville-Geay, Aude; Eupherte, Laure

    2014-12-01

    We compare the performance of various analytical retroreflecting bidirectional reflectance distribution function (BRDF) models to assess how they reproduce accurately measured data of retroreflecting materials. We introduce a new parametrization, the back vector parametrization, to analyze retroreflecting data, and we show that this parametrization better preserves the isotropy of data. Furthermore, we update existing BRDF models to improve the representation of retroreflective data.

  15. Modified glycogen as construction material for functional biomimetic microfibers.

    Science.gov (United States)

    Rabyk, Mariia; Hruby, Martin; Vetrik, Miroslav; Kucka, Jan; Proks, Vladimir; Parizek, Martin; Konefal, Rafal; Krist, Pavel; Chvatil, David; Bacakova, Lucie; Slouf, Miroslav; Stepanek, Petr

    2016-11-05

    We describe a conceptually new, microfibrous, biodegradable functional material prepared from a modified storage polysaccharide also present in humans (glycogen) showing strong potential as direct-contact dressing/interface material for wound healing. Double bonds were introduced into glycogen via allylation and were further exploited for crosslinking of the microfibers. Triple bonds were introduced by propargylation and served for further click functionalization of the microfibers with bioactive peptide. A simple solvent-free method allowing the preparation of thick layers was used to produce microfibers (diameter ca 2μm) from allylated and/or propargylated glycogen. Crosslinking of the samples was performed by microtron beta-irradiation, and the irradiation dose was optimized to 2kGy. The results from biological testing showed that these highly porous, hydrophilic, readily functionalizable materials were completely nontoxic to cells growing in their presence. The fibers were gradually degraded in the presence of cells. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. The efflux of choline from nerve cells: mediation by ionic gradients and functional exchange of choline from glia to neurons

    International Nuclear Information System (INIS)

    Hoffmann, D.; Ferret, B.; Massarelli, R.; Mykita, S.

    1986-01-01

    This paper analyzes the relationship between ions and the efflux of choline, and suggests the possibility of a balance effect for choline fluxes which is produced and maintained by ioinic gradients. It is also suggested that glial cells may actively exchange choline with neurons during nerve actively exchange choline with neurons during nerve activity, and that they may function as a choline reservoir for neuronal needs. The study shows that neurons and glial cells spontaneously discharge choline into the incubation medium. The exiting choline is essentially of free origin, as can be seen in an illustration provided. Neurons and glial cells had been prelabelled with ( 14 C) choline overnight, and labelled for 15 min with tritium-choline. The higher amount of tritium-choline exiting the cells indicates that it is the freshly labelled choline which is preferentially released. The remaining of ( 14 C) - choline exiting the cells corresponds to the free choline of phospholipid origin which amounts to about one third of the total free choline content

  17. Preparation and corrosion resistance of electroless Ni-P/SiC functionally gradient coatings on AZ91D magnesium alloy

    Science.gov (United States)

    Wang, Hui-Long; Liu, Ling-Yun; Dou, Yong; Zhang, Wen-Zhu; Jiang, Wen-Feng

    2013-12-01

    In this paper, the protective electroless Ni-P/SiC gradient coatings on AZ91D magnesium alloy substrate were successfully prepared. The prepared Ni-P/SiC gradient coatings were characterized for its microstructure, morphology, microhardness and adhesion to the substrate. The deposition reaction kinetics was investigated and an empirical rate equation for electroless Ni-P/SiC plating on AZ91D magnesium alloy was developed. The anticorrosion properties of the Ni-P/SiC gradient coatings in 3.5 wt.% NaCl solution were evaluated by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) studies. The potentiodynamic polarization measurements revealed that the SiC concentration in the bath and heat treatment can influence the corrosion protection performance of electroless deposited Ni-P/SiC gradient coatings. EIS studies indicated that higher charge transfer resistance and slightly lower capacitance values were obtained for Ni-P/SiC gradient coatings compared to Ni-P coatings. The corrosion resistance of the Ni-P/SiC gradient coatings increases initially and decreases afterwards with the sustained increasing of immersion time in the aggressive medium. The electroless Ni-P/SiC gradient coatings can afford better corrosion protection for magnesium alloy substrate compared with Ni-P coatings.

  18. Functional and compositional responses in soil microbial communities along two metal pollution gradients: does the level of historical pollution affect resistance against secondary stress?

    NARCIS (Netherlands)

    Azarbad, H.; Niklinska, M.; Nikiel, K.; van Straalen, N.M.; Röling, W.F.M.

    2015-01-01

    We examined how the exposure to secondary stressors affected the functional and compositional responses of microbial communities along two metal pollution gradients in Polish forests and whether responses were influenced by the level of metal pollution. Basal respiration rate and community

  19. Species Richness and Functional Trait Diversity for Plants in Southern California's Green Infrastructure along a Climate Gradient

    Science.gov (United States)

    Rochford, M. E.; Ibsen, P.; Jenerette, D.

    2016-12-01

    Green infrastructure (GI) is greenery planted to absorb rainwater into the earth as an alternative to grey infrastructure, like storm drains. Not only does GI prevent flooding, but it also performs a number of ecosystem services, including increasing biodiversity, because it allows water to cycle through the environment naturally. Increased biodiversity in plant communities is said to help purify the air and improve the health and resilience of the plants themselves. I want to investigate these claims about GI's benefits by studying types of GI with slightly different functions. This will answer the questions 1) Are different types of green infrastructure's plant communities equally biodiverse in terms of functional trait diversity and species richness? 2) How does functional trait diversity and species richness differ along a temperature gradient in Southern California? To compare biodiversity, I must survey four different types of GI, urban parks, riparian zones, detention basins, and bioswales, in three cities in distinct climate regions. Detention basins are reservoirs lined with vegetation that collect water until it is absorbed into the soil. Bioswales are vegetated gutters that filter out pollutants in storm water. Unlike retention basins, they also add aesthetic value to an area. Even though parks are mainly for recreation and beatification rather than storm water management, they have plenty of permeable surface to absorb storm water. The types of GI that have high levels of interaction with humans should also have higher levels of maintenance. The results should follow the homogenization hypothesis and demonstrate that, regardless of climate, species richness should not differ much between highly maintained areas, like parks, in different cities. Otherwise, in GI that is not as manicured, species richness should be significantly different between cities and the different types of GI. Because types of GI selected vary in expected levels of human

  20. Reutilization of discarded biomass for preparing functional polymer materials.

    Science.gov (United States)

    Wang, Jianfeng; Qian, Wenzhen; He, Yufeng; Xiong, Yubing; Song, Pengfei; Wang, Rong-Min

    2017-07-01

    Biomass is abundant and recyclable on the earth, which has been assigned numerous roles to human beings. However, over the past decades, accompanying with the rapid expansion of man-made materials, such as alloy, plastic, synthetic rubber and fiber, a great number of natural materials had been neglected and abandoned, such as straw, which cause a waste of resource and environmental pollution. In this review, based on introducing sources of discarded biomass, the main composition and polymer chains in discarded biomass materials, the traditional treatment and novel approach for reutilization of discarded biomass were summarized. The discarded biomass mainly come from plant wastes generated in the process of agriculture and forestry production and manufacturing processes, animal wastes generated in the process of animal husbandry and fishery production as well as the residual wastes produced in the process of food processing and rural living garbage. Compared with the traditional treatment including burning, landfill, feeding and fertilizer, the novel approach for reutilization of discarded biomass principally allotted to energy, ecology and polymer materials. The prepared functional materials covered in composite materials, biopolymer based adsorbent and flocculant, carrier materials, energy materials, smart polymer materials for medical and other intelligent polymer materials, which can effectively serve the environmental management and human life, such as wastewater treatment, catalyst, new energy, tissue engineering, drug controlled release, and coating. To sum up, the renewable and biodegradable discarded biomass resources play a vital role in the sustainable development of human society, as well as will be put more emphases in the future. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Functionalized mesoporous silica materials for molsidomine adsorption: Thermodynamic study

    Energy Technology Data Exchange (ETDEWEB)

    Alyoshina, Nonna A.; Parfenyuk, Elena V., E-mail: evp@iscras.ru

    2013-09-15

    A series of unmodified and organically modified mesoporous silica materials was prepared. The unmodified mesoporous silica was synthesized via sol–gel synthesis in the presence of D-glucose as pore-forming agent. The functionalized by phenyl, aminopropyl and mercaptopropyl groups silica materials were prepared via grafting. The fabricated adsorbent materials were characterized by Fourier transform infrared spectroscopy (FTIR) analysis, N{sub 2} adsorption/desorption and elemental analysis methods. Then their adsorption properties for mesoionic dug molsidomine were investigated at 290–313 K and physiological pH value. Thermodynamic parameters of molsidomine adsorption on the synthesized materials have been calculated. The obtained results showed that the adsorption process of molsidomine on the phenyl modified silica is the most quantitatively and energetically favorable. The unmodified and mercaptopropyl modified silica materials exhibit significantly higher adsorption capacities and energies for molsidomine than the aminopropyl modified sample. The effects are discussed from the viewpoint of nature of specific interactions responsible for the adsorption. - Graphical abstract: Comparative analysis of the thermodynamic characteristics of molsidomine adsorption showed that the adsorption process on mesoporous silica materials is controlled by chemical nature of surface functional groups. Molsidomine adsorption on the phenyl modified silica is the most quantitatively and energetically favorable. Taking into account ambiguous nature of mesoionic compounds, it was found that molsidomine is rather aromatic than dipolar. Display Omitted - Highlights: • Unmodified and organically modified mesoporous silica materials were prepared. • Molsidomine adsorption on the silica materials was studied. • Phenyl modified silica shows the highest adsorption capacity and favorable energy. • Molsidomine exhibits the lowest affinity to aminopropyl modified silica.

  2. Functionalized mesoporous silica materials for molsidomine adsorption: Thermodynamic study

    International Nuclear Information System (INIS)

    Alyoshina, Nonna A.; Parfenyuk, Elena V.

    2013-01-01

    A series of unmodified and organically modified mesoporous silica materials was prepared. The unmodified mesoporous silica was synthesized via sol–gel synthesis in the presence of D-glucose as pore-forming agent. The functionalized by phenyl, aminopropyl and mercaptopropyl groups silica materials were prepared via grafting. The fabricated adsorbent materials were characterized by Fourier transform infrared spectroscopy (FTIR) analysis, N 2 adsorption/desorption and elemental analysis methods. Then their adsorption properties for mesoionic dug molsidomine were investigated at 290–313 K and physiological pH value. Thermodynamic parameters of molsidomine adsorption on the synthesized materials have been calculated. The obtained results showed that the adsorption process of molsidomine on the phenyl modified silica is the most quantitatively and energetically favorable. The unmodified and mercaptopropyl modified silica materials exhibit significantly higher adsorption capacities and energies for molsidomine than the aminopropyl modified sample. The effects are discussed from the viewpoint of nature of specific interactions responsible for the adsorption. - Graphical abstract: Comparative analysis of the thermodynamic characteristics of molsidomine adsorption showed that the adsorption process on mesoporous silica materials is controlled by chemical nature of surface functional groups. Molsidomine adsorption on the phenyl modified silica is the most quantitatively and energetically favorable. Taking into account ambiguous nature of mesoionic compounds, it was found that molsidomine is rather aromatic than dipolar. Display Omitted - Highlights: • Unmodified and organically modified mesoporous silica materials were prepared. • Molsidomine adsorption on the silica materials was studied. • Phenyl modified silica shows the highest adsorption capacity and favorable energy. • Molsidomine exhibits the lowest affinity to aminopropyl modified silica

  3. Functional and Multifunctional Polymers: Materials for Smart Structures

    Science.gov (United States)

    Arnold, S.; Pratt, L. M.; Li, J.; Wuagaman, M.; Khan, I. M.

    1996-01-01

    The ultimate goal of the research in smart structures and smart materials is the development of a new generation of products/devices which will perform better than products/devices built from passive materials. There are a few examples of multilayer polymer systems which function as smart structures, e.g. a synthetic muscle which is a multilayer assembly of a poly(ethylene) layer, a gold layer, and a poly(pyrrole) layer immersed in a liquid electrolyte. Oxidation and reductions of the active pyrrole layer causes the assembly to reversibly deflect and mimic biological muscles. The drawback of such a setup is slow response times and the use of a liquid electrolyte. We have developed multifunctional polymers which will eliminate the use of a liquid electrolyte, and also because the functionalities of the polymers are within a few hundred angstroms, an improved response time to changes in the external field should be possible. Such multifunctional polymers may be classified as the futuristic 'smart materials.' These materials are composed of a number of different functionalities which work in a synergistic fashion to function as a device. The device performs on the application of an external field and such multifunctional polymers may be scientifically labeled as 'field responsive polymers.' Our group has undertaken a systematic approach to develop functional and multifunctional polymers capable of functioning as field responsive polymers. Our approach utilizes multicomponent polymer systems (block copolymers and graft copolymers), the strategy involves the preparation of block or graft copolymers where the functionalities are limited to different phases in a microphase separated system. Depending on the weight (or volume) fractions of each of the components, different microstructures are possible. And, because of the intimate contact between the functional components, an increase in the synergism between the functionalities may be observed. In this presentation, three

  4. A unified nonlocal strain gradient plate model for nonlinear axial instability of functionally graded porous micro/nano-plates reinforced with graphene platelets

    Science.gov (United States)

    Sahmani, Saeid; Aghdam, Mohammad Mohammadi; Rabczuk, Timon

    2018-04-01

    By gradually changing of the porosity across a specific direction, functionally graded porous materials (FGPMs) are produced which can impart desirable mechanical properties. To enhance these properties, it is common to reinforce FGPMs with nanofillers. The main aim of the current study is to investigate the size-dependent nonlinear axial postbuckling characteristics of FGPM micro/nano-plates reinforced with graphene platelets. For this purpose, the theory of nonlocal strain gradient elasticity incorporating the both stiffness reduction and stiffness enhancement mechanisms of size effects is applied to the refined exponential shear deformation plate theory. Three different patterns of porosity dispersion across the plate thickness in conjunction with the uniform one are assumed for FGPM as an open-cell metal foam is utilized associated with the coefficients of the relative density and porosity. With the aid of the virtual work’s principle, the non-classical governing differential equations are constructed. Thereafter, an improved perturbation technique is employed to capture the size dependencies in the nonlinear load-deflection and load-shortening responses of the reinforced FGPM micro/nano-plates with and without initial geometric imperfection. It is indicated that by increasing the value of porosity coefficient, the size-dependent critical buckling loads of reinforced FGPM micro/nano-plates with all types of porosity dispersion pattern reduce, but the associated shortening may increase or decrease which depends on the type of dispersion pattern.

  5. Quaternion Gradient and Hessian

    OpenAIRE

    Xu, Dongpo; Mandic, Danilo P.

    2014-01-01

    The optimization of real scalar functions of quaternion variables, such as the mean square error or array output power, underpins many practical applications. Solutions typically require the calculation of the gradient and Hessian. However, real functions of quaternion variables are essentially nonanalytic, which are prohibitive to the development of quaternion-valued learning systems. To address this issue, we propose new definitions of quaternion gradient and Hessian, based on the novel gen...

  6. Rayleigh wave behavior in functionally graded magneto-electro-elastic material

    Science.gov (United States)

    Ezzin, Hamdi; Mkaoir, Mohamed; Amor, Morched Ben

    2017-12-01

    Piezoelectric-piezomagnetic functionally graded materials, with a gradual change of the mechanical and electromagnetic properties have greatly applying promises. Based on the ordinary differential equation and stiffness matrix methods, a dynamic solution is presented for the propagation of the wave on a semi-infinite piezomagnetic substrate covered with a functionally graded piezoelectric material (FGPM) layer. The materials properties are assumed to vary in the direction of the thickness according to a known variation law. The phase and group velocity of the Rayleigh wave is numerically calculated for the magneto-electrically open and short cases, respectively. The effect of gradient coefficients on the phase velocity, group velocity, coupled magneto-electromechanical factor, on the stress fields, the magnetic potential and the mechanical displacement are discussed, respectively. Illustration is achieved on the hetero-structure PZT-5A/CoFe2O4; the obtained results are especially useful in the design of high-performance acoustic surface devices and accurately prediction of the Rayleigh wave propagation behavior.

  7. Aperiodic topological order in the domain configurations of functional materials

    Science.gov (United States)

    Huang, Fei-Ting; Cheong, Sang-Wook

    2017-03-01

    In numerous functional materials, such as steels, ferroelectrics and magnets, new functionalities can be achieved through the engineering of the domain structures, which are associated with the ordering of certain parameters within the material. The recent progress in technologies that enable imaging at atomic-scale spatial resolution has transformed our understanding of domain topology, revealing that, along with simple stripe-like or irregularly shaped domains, intriguing vortex-type topological domain configurations also exist. In this Review, we present a new classification scheme of 'Zm Zn domains with Zl vortices' for 2D macroscopic domain structures with m directional variants and n translational antiphases. This classification, together with the concepts of topological protection and topological charge conservation, can be applied to a wide range of materials, such as multiferroics, improper ferroelectrics, layered transition metal dichalcogenides and magnetic superconductors, as we discuss using selected examples. The resulting topological considerations provide a new basis for the understanding of the formation, kinetics, manipulation and property optimization of domains and domain boundaries in functional materials.

  8. Functional lignocellulosic materials prepared by ATRP from a wood scaffold

    Science.gov (United States)

    Cabane, Etienne; Keplinger, Tobias; Künniger, Tina; Merk, Vivian; Burgert, Ingo

    2016-01-01

    Wood, a natural and abundant source of organic polymers, has been used as a scaffold to develop novel wood-polymer hybrid materials. Through a two-step surface-initiated Atom Transfer Radical Polymerization (ATRP), the porous wood structure can be effectively modified with polymer chains of various nature. In the present study, polystyrene and poly(N-isopropylacrylamide) were used. As shown with various characterization techniques including confocal Raman microscopy, FTIR, and SEM/EDX, the native wood ultrastructure and features are retained and the polymer chains can be introduced deep within the wood, i.e. inside the wood cell walls. The physical properties of the new materials have been studied, and results indicate that the insertion of polymer chains inside the wood cell wall alters the intrinsic properties of wood to yield a hybrid composite material with new functionalities. This approach to the functionalization of wood could lead to the fabrication of a new class of interesting functional materials and promote innovative utilizations of the renewable resource wood. PMID:27506369

  9. Density functional theory for hydrogen storage materials: successes and opportunities

    International Nuclear Information System (INIS)

    Hector, L G Jr; Herbst, J F

    2008-01-01

    Solid state systems for hydrogen storage continue to be the focus of considerable international research, driven to a large extent by technological demands, especially for mobile applications. Density functional theory (DFT) has become a valuable tool in this effort. It has greatly expanded our understanding of the properties of known hydrides, including electronic structure, hydrogen bonding character, enthalpy of formation, elastic behavior, and vibrational energetics. Moreover, DFT holds substantial promise for guiding the discovery of new materials. In this paper we discuss, within the context of results from our own work, some successes and a few shortcomings of state-of-the-art DFT as applied to hydrogen storage materials

  10. Bone marrow-derived cells for cardiovascular cell therapy: an optimized GMP method based on low-density gradient improves cell purity and function.

    Science.gov (United States)

    Radrizzani, Marina; Lo Cicero, Viviana; Soncin, Sabrina; Bolis, Sara; Sürder, Daniel; Torre, Tiziano; Siclari, Francesco; Moccetti, Tiziano; Vassalli, Giuseppe; Turchetto, Lucia

    2014-09-27

    Cardiovascular cell therapy represents a promising field, with several approaches currently being tested. The advanced therapy medicinal product (ATMP) for the ongoing METHOD clinical study ("Bone marrow derived cell therapy in the stable phase of chronic ischemic heart disease") consists of fresh mononuclear cells (MNC) isolated from autologous bone marrow (BM) through density gradient centrifugation on standard Ficoll-Paque. Cells are tested for safety (sterility, endotoxin), identity/potency (cell count, CD45/CD34/CD133, viability) and purity (contaminant granulocytes and platelets). BM-MNC were isolated by density gradient centrifugation on Ficoll-Paque. The following process parameters were optimized throughout the study: gradient medium density; gradient centrifugation speed and duration; washing conditions. A new manufacturing method was set up, based on gradient centrifugation on low density Ficoll-Paque, followed by 2 washing steps, of which the second one at low speed. It led to significantly higher removal of contaminant granulocytes and platelets, improving product purity; the frequencies of CD34+ cells, CD133+ cells and functional hematopoietic and mesenchymal precursors were significantly increased. The methodological optimization described here resulted in a significant improvement of ATMP quality, a crucial issue to clinical applications in cardiovascular cell therapy.

  11. Density Functional Theory and Materials Modeling at Atomistic Length Scales

    Directory of Open Access Journals (Sweden)

    Swapan K. Ghosh

    2002-04-01

    Full Text Available Abstract: We discuss the basic concepts of density functional theory (DFT as applied to materials modeling in the microscopic, mesoscopic and macroscopic length scales. The picture that emerges is that of a single unified framework for the study of both quantum and classical systems. While for quantum DFT, the central equation is a one-particle Schrodinger-like Kohn-Sham equation, the classical DFT consists of Boltzmann type distributions, both corresponding to a system of noninteracting particles in the field of a density-dependent effective potential, the exact functional form of which is unknown. One therefore approximates the exchange-correlation potential for quantum systems and the excess free energy density functional or the direct correlation functions for classical systems. Illustrative applications of quantum DFT to microscopic modeling of molecular interaction and that of classical DFT to a mesoscopic modeling of soft condensed matter systems are highlighted.

  12. Piezoelectric materials mimic the function of the cochlear sensory epithelium.

    Science.gov (United States)

    Inaoka, Takatoshi; Shintaku, Hirofumi; Nakagawa, Takayuki; Kawano, Satoyuki; Ogita, Hideaki; Sakamoto, Tatsunori; Hamanishi, Shinji; Wada, Hiroshi; Ito, Juichi

    2011-11-08

    Cochlear hair cells convert sound vibration into electrical potential, and loss of these cells diminishes auditory function. In response to mechanical stimuli, piezoelectric materials generate electricity, suggesting that they could be used in place of hair cells to create an artificial cochlear epithelium. Here, we report that a piezoelectric membrane generated electrical potentials in response to sound stimuli that were able to induce auditory brainstem responses in deafened guinea pigs, indicating its capacity to mimic basilar membrane function. In addition, sound stimuli were transmitted through the external auditory canal to a piezoelectric membrane implanted in the cochlea, inducing it to vibrate. The application of sound to the middle ear ossicle induced voltage output from the implanted piezoelectric membrane. These findings establish the fundamental principles for the development of hearing devices using piezoelectric materials, although there are many problems to be overcome before practical application.

  13. Anomalous x-ray scattering studies of functional disordered materials

    International Nuclear Information System (INIS)

    Kohara, S; Tajiri, H; Song, C H; Ohara, K; Temleitner, L; Sugimito, K; Fujiwara, A; Pusztai, L; Usuki, T; Hosokawa, S; Benino, Y; Kitamura, N; Fukumi, K

    2014-01-01

    We have developed anomalous x-ray scattering (AXS) spectrometers, that employ intrinsic Ge detectors and crystal analyzers, at SPring-8. The use of LiF analyzer crystal provides us with an energy resolution of ∼ 12 eV. Furthermore, it has been established that the use of AXS technique is essential to reveal the relationship between the atomic structure and its function of a fast phase-change material, Ge 2 Sb 2 Te 5 . We were able to address the issue of why the amorphous phase of fast phase change materials is stable at room temperature for a long time despite the fact that it can rapidly transform to the crystalline phase by using a combination of AXS and large scale density functional theory-based molecular dynamics simulations.

  14. Thermal behavior of the duct applied functionally graded material

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jung Sun; Yoon, Dong Young; Im, Jong Bin [Hankuk Aviation Univ., Goyang (Korea, Republic of)

    2004-07-01

    In Unmanned Aerial Vehicles (UAV), the high temperature results from friction among the air, combustion of fuel in engine and combustion gas of a nozzle. The high temperature may cause serious damages in UAV structure. The Functionally Graded Material(FGM) is chosen as a material of the engine duct structure. Thermal stress analysis of FGM is performed in this paper. FGM is composed of two constituent materials that are mixed up according to the specific volume fraction distribution in order to withstand high temperature. Therefore, hoop stress, axial stress and shear stress of duct with 2 layers, 4 layers and 8 layers FGM are compared and analyzed respectively. In addition, the creep behavior of FGM used in duct structure of an engine is analyzed for better understanding of FGM characteristics.

  15. Butterfly effects: novel functional materials inspired from the wings scales.

    Science.gov (United States)

    Zhang, Wang; Gu, Jiajun; Liu, Qinglei; Su, Huilan; Fan, Tongxiang; Zhang, Di

    2014-10-07

    Through millions of years of evolutionary selection, nature has created biological materials with various functional properties for survival. Many complex natural architectures, such as shells, bones, and honeycombs, have been studied and imitated in the design and fabrication of materials with enhanced hardness and stiffness. Recently, more and more researchers have started to research the wings of butterflies, mostly because of their dazzling colors. It was found that most of these iridescent colors are caused by periodic photonic structures on the scales that make up the surfaces of these wings. These materials have recently become a focus of multidiscipline research because of their promising applications in the display of structural colors, and in advanced sensors, photonic crystals, and solar cells. This paper review aims to provide a perspective overview of the research inspired by these wing structures in recent years.

  16. Model of bidirectional reflectance distribution function for metallic materials

    International Nuclear Information System (INIS)

    Wang Kai; Zhu Jing-Ping; Liu Hong; Hou Xun

    2016-01-01

    Based on the three-component assumption that the reflection is divided into specular reflection, directional diffuse reflection, and ideal diffuse reflection, a bidirectional reflectance distribution function (BRDF) model of metallic materials is presented. Compared with the two-component assumption that the reflection is composed of specular reflection and diffuse reflection, the three-component assumption divides the diffuse reflection into directional diffuse and ideal diffuse reflection. This model effectively resolves the problem that constant diffuse reflection leads to considerable error for metallic materials. Simulation and measurement results validate that this three-component BRDF model can improve the modeling accuracy significantly and describe the reflection properties in the hemisphere space precisely for the metallic materials. (paper)

  17. Model of bidirectional reflectance distribution function for metallic materials

    Science.gov (United States)

    Wang, Kai; Zhu, Jing-Ping; Liu, Hong; Hou, Xun

    2016-09-01

    Based on the three-component assumption that the reflection is divided into specular reflection, directional diffuse reflection, and ideal diffuse reflection, a bidirectional reflectance distribution function (BRDF) model of metallic materials is presented. Compared with the two-component assumption that the reflection is composed of specular reflection and diffuse reflection, the three-component assumption divides the diffuse reflection into directional diffuse and ideal diffuse reflection. This model effectively resolves the problem that constant diffuse reflection leads to considerable error for metallic materials. Simulation and measurement results validate that this three-component BRDF model can improve the modeling accuracy significantly and describe the reflection properties in the hemisphere space precisely for the metallic materials.

  18. Ceramic/polymer functionally graded material (FGM) lightweight armor system

    Energy Technology Data Exchange (ETDEWEB)

    Petrovic, J.J.; McClellan, K.J.

    1998-12-31

    This is the final report of a two-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Functionally graded material is an enabling technology for lightweight body armor improvements. The objective was to demonstrate the ability to produce functionally graded ceramic-polymer and ceramic-metal lightweight armor materials. This objective involved two aspects. The first and key aspect was the development of graded-porosity boron-carbide ceramic microstructures. The second aspect was the development of techniques for liquid infiltration of lightweight metals and polymers into the graded-porosity ceramic. The authors were successful in synthesizing boron-carbide ceramic microstructures with graded porosity. These graded-porosity boron-carbide hot-pressed pieces were then successfully liquid-infiltrated in vacuum with molten aluminum at 1,300 C, and with liquid polymers at room temperature. Thus, they were able to demonstrate the feasibility of producing boron carbide-aluminum and boron carbide-polymer functionally graded materials.

  19. Multi-functionalized side-chain supramolecular polymers: A methodology towards tunable functional materials

    Science.gov (United States)

    Nair, Kamlesh Prabhakaran

    Even as we see a significant growth in the field of supramolecular polymers in the last ten years, multi-functionalized systems have been scarcely studied. Noncovalent multi-functionalization provides unique advantages such as rapid materials optimization via reversible functionalization as well as for the tuning of materials properties by exploiting the differences in the nature of these reversible interactions. This thesis involves the design principles, synthesis & methodology of supramolecular side-chain multi-functionalized polymers. The combination of a functionally tolerant & controlled polymerization technique such as ROMP with multiple noncovalent interactions such as hydrogen bonding, metal coordination and ionic interactions has been successfully used to synthesize these polymers. Furthermore, the orthogonality between the above interactions in block/random copolymers has been studied in detail. It has been found that the studied interactions were orthogonal to each other. To validate the viability of this methodology using multiple orthogonal interactions towards materials design noncovalent crosslinking of polymers has been used as a potential application. Three classes of networks have been studied: complementary multiple hydrogen bonded networks, metal crosslinked networks, & multi-functionalized hydrogen bonded and metal coordinated networks. The first room temperature decrosslinking by exclusive complementary hydrogen bonded interactions has been successfully achieved. Furthermore network properties have been successfully tuned by varying the network micro-structure which in turn was tuned by the hydrogen bonding motifs used for inter-chain crosslinking. By combining two different noncovalent interactions used for inter-chain crosslinking, it was possible to make multi-functionalized materials whose properties could be controlled by varying the crosslinking strategy. Hence by employing multi-functionalization methodology, important materials

  20. Study on the preparation of the SiCp/Al-20Si-3Cu functionally graded material using spray deposition

    International Nuclear Information System (INIS)

    Su, B.; Yan, H.G.; Chen, G.; Shi, J.L.; Chen, J.H.; Zeng, P.L.

    2010-01-01

    Research highlights: → The SiCp/Al-20Si-3Cu functionally gradient material (FGM) was successfully prepared via the spray deposition technique. → The SiCp/Al-20Si-3Cu functionally gradient material (FGM) was successfully prepared via the spray deposition technique. → In the experimental setup, the novel devices play an important role in adjusting the output of SiCp to prepare the FGM. → The experiment results reveal that the SiCp weight fraction of the as-deposited preform from the top to the bottom ranges almost continuously from 0% to 30%. → The fraction of SiC particles has no obvious influence on the phase constitutions of the SiCp/Al-20Si-3Cu FGM. - Abstract: The SiCp/Al-20Si-3Cu functionally gradient material (FGMs) was successfully prepared via the spray deposition technique accompanied with an automatic control system. The results reveal that the SiCp weight fraction of the as-deposited preform from the top to the bottom ranges almost continuously from 0% to 30%. The part with the higher SiCp weight fraction exhibits a relatively smaller density than that with the lower SiCp weight fraction. However, the microhardness and the porosity increase with the increasing SiCp weight fraction in the as-deposited preform. The X-ray diffraction results exhibit that the secondary phases in the regions with the different amount of SiC particles are the same such as Al 2 Cu and AlCuMg. The spray deposition technology is promising to produce a wide range of other FGMs.

  1. Electromagnetic Processing of Materials Materials Processing by Using Electric and Magnetic Functions

    CERN Document Server

    Asai, Shigeo

    2012-01-01

    This book is both a course book and a monograph. In fact, it has developed from notes given to graduate course students on materials processing in the years 1989 to 2006. Electromagnetic Processing of Materials (EPM), originates from a branch of materials science and engineering developed in the 1980s as a field aiming to create new materials and/or design processes by making use of various functions which appear when applying the electric and magnetic fields to materials. It is based on transport phenomena, materials processing and magnetohydrodynamics. The first chapter briefly introduces the history, background and technology of EPM. In the second chapter, the concept of transport phenomena is concisely introduced and in the third chapter the essential part of magnetohydrodynamics is transcribed and readers are shown that the concept of transport phenomena does not only apply to heat, mass and momentum, but also magnetic field. The fourth chapter describes electromagnetic processing of electrica...

  2. PREFACE Surface Modifications and Functionalization of Materials for Biomedical Applications

    Science.gov (United States)

    Endrino, Jose Luis; Puértolas, Jose A.; Albella, Jose M.

    2010-11-01

    Conference photograph This special issue contains selected papers which were presented as invited and contributed communications at the workshop entitled 'Surface modification and functionalization of materials for biomedical applications' (BIO-COAT 2010) which was held on 24 June 2010 in Zaragoza (Spain). The surface of a material plays a major role in its interaction with the biological medium. Processes related to the mechanical stability of articular devices in contact, osseointegration, thrombogenicity, corrosion and leaching, or the inflammatory response of rejection of a material, are clearly conditioned by the surface properties. Therefore, the modification or functionalization of surfaces can have an important impact on these issues. New techniques for functionalization by thin film deposition or surface treatments help to improve superficial properties, while understanding the interaction of the surface-biological medium is critical for their application in new devices. Jointly organized by the Spanish Materials Research Society, BIO-COAT 2010 provided an open forum to discuss the progress and latest developments in thin film processing and the engineering of biomaterials. Invited lectures were particularly aimed at providing overviews on scientific topics and were given by recognized world-class scientists. Two of them have contributed with a proceedings article to this selected collection (articles 012001 and 012008). The contributed communications were focused on particular cutting-edge aspects of thin film science and functionalization technologies for biomaterials, showing the major scientific push of Spanish research groups in the field. The 2010 BIO-COAT conference was organized along four main topics: (1) functionalization and texture on surfaces, (2) tribology and corrosion, (3) the surface modification of biomaterials, and (4) surface-biological environment interactions. The papers published in this volume were accepted for publication after

  3. Development of functional materials by using ultrafast laser pulses

    Science.gov (United States)

    Shimotsuma, Y.; Sakakura, M.; Miura, K.

    2018-01-01

    The polarization-dependent periodic nanostructures inside various materials are successfully induced by ultrafast laser pulses. The periodic nanostructures in various materials can be empirically classified into the following three types: (1) structural deficiency, (2) expanded structure, (3) partial phase separation. Such periodic nanostructures exhibited not only optical anisotropy but also intriguing electric, thermal, and magnetic properties. The formation mechanisms of the periodic nanostructure was interpreted in terms of the interaction between incident light field and the generated electron plasma. Furthermore, the fact that the periodic nanostructures in semiconductors could be formed empirically only if it is indirect bandgap semiconductor materials indicates the stress-dependence of bandgap structure and/or the recombination of the excited electrons are also involved to the nanostructure formation. More recently we have also confirmed that the periodic nanostructures in glass are related to whether a large amount of non-bridged oxygen is present. In the presentation, we demonstrate new possibilities for functionalization of common materials ranging from an eternal 5D optical storage, a polarization imaging, to a thermoelectric conversion, based on the indicated phenomena.

  4. ANALYSIS OF STUDENTS’ LEARNING OBSTACLES ON LEARNING INVERS FUNCTION MATERIAL

    Directory of Open Access Journals (Sweden)

    Krisna Satrio Perbowo

    2017-09-01

    Full Text Available This research is based on the presence of obstacle in learning mathematics on inverse function. This research aims to analyze the learning obstacle, to know the types of error that is suffered by the students in learning inverse function. Kind of this kualitative research descriptive with data triangulation. The research subjects are high school students which is contained of 74 students and was taken 6 students to be main sample. The data of students’ error is obtained from the writen test result, the students’ false answers are identified into the type of error. Then it was chosen several students to be interviewed. Which the analysis result finding data in this research showed there are 4 types of errors, which are concept error, procedure error, counting error and concluding error. An obstacle which appear in learning inverse function is influenced by two factors, i.e internal factor and eksternal factor. Internal factor is showed by the students’ motivation in following learning and students’ skill in receiving learning material. While the eksternal factor is showed by the curriculum which applied in school with acceleration class caused many narrow learning time, teaching materials that is less complete with the discussion of question sample.

  5. Bio-functionalization of conductive textile materials with redox enzymes

    Science.gov (United States)

    Kahoush, M.; Behary, N.; Cayla, A.; Nierstrasz, V.

    2017-10-01

    In recent years, immobilization of oxidoreductase enzymes on electrically conductive materials has played an important role in the development of sustainable bio-technologies. Immobilization process allows the re-use of these bio-catalysts in their final applications. In this study, different methods of immobilizing redox enzymes on conductive textile materials were used to produce bio-functionalized electrodes. These electrodes can be used for bio-processes and bio-sensing in eco-designed applications in domains such as medicine and pollution control. However, the main challenge facing the stability and durability of these electrodes is the maintenance of the enzymatic activity after the immobilization. Hence, preventing the enzyme’s denaturation and leaching is a critical factor for the success of the immobilization processes.

  6. Fluorescent Functionalized Mesoporous Silica for Radioactive Material Extraction

    International Nuclear Information System (INIS)

    Li, Juan; Zhu, Kake; Shang, Jianying; Wang, Donghai; Nie, Zimin; Guo, Ruisong; Liu, Chongxuan; Wang, Zheming; Li, Xiaolin; Liu, Jun

    2012-01-01

    Mesoporous silica with covalently bound salicylic acid molecules incorporated in the structure was synthesized with a one-pot, co-condensation reaction at room temperature. The as-synthesized material has a large surface area, uniform particle size, and an ordered pore structure as determined by characterization with transmission electron microscopy, thermal gravimetric analysis, and infrared spectra, etc. Using the strong fluorescence and metal coordination capability of salicylic acid, functionalized mesoporous silica (FMS) was developed to track and extract radionuclide contaminants, such as uranyl (U(VI)) ions encountered in subsurface environments. Adsorption measurements showed a strong affinity of the FMS toward U(VI) with a Kd value of 105 mL/g, which is four orders of magnitude higher than the adsorption of U(VI) onto most of the sediments in natural environments. The new materials have a potential for synergistic environmental monitoring and remediation of the radionuclide U(VI) from contaminated subsurface environments.

  7. Ion Beams: A Powerful Tool for Making New Functional Materials

    International Nuclear Information System (INIS)

    Dev, B. N.

    2010-01-01

    It is well known that ion beams play an important role in semiconductor industry, which utilizes ion implantation and irradiation for materials modification. Ion sputtering technique is used to fabricate multifunctional coatings and multilayers. Using ion implantation, there is a continued effort for fabrication of quantum bit structures for future quantum computers. Availability of focused ion beams (FIBs) has widened the applications of ion beams and nanostructured functional materials are being fabricated using FIBs. Various quantum structures can be fabricated using FIB. Ferromagnetism can either be induced or destroyed in special layered structures using ion irradiation. The magnetic exchange bias phenomenon is of tremendous utility in magnetic recording. Issues of lateral diffusion in nanoscale doping of semiconductors by FIB and an example of exchange bias enhancement by ion irradiation are discussed.

  8. Structural and functional biological materials: Abalone nacre, sharp materials, and abalone foot adhesion

    Science.gov (United States)

    Lin, Albert Yu-Min

    A three-part study of lessons from nature is presented through the examination of various biological materials, with an emphasis on materials from the mollusk Haliotis rufescens, commonly referred to as the red abalone. The three categories presented are: structural hierarchy, self-assembly, and functionality. Ocean mollusk shells are composed of aragonite/calcite crystals interleaved with layers of a visco-elastic protein, having dense, tailored structures with excellent mechanical properties. The complex nano-laminate structure of this bio-composite material is characterized and related to its mechanical properties. Three levels of structural hierarchy are identified: macroscale mesolayers separating larger regions of tiled aragonite, microscale organization of 0.5 mum by 10 mum aragonite bricks; nanoscale mineral bridges passing through 30 nm layers of organic matrix separating individual aragonite tiles. Composition and growth mechanisms of this nanostructure were observed through close examination of laboratory-grown samples using scanning electron microscopy (SEM), Raman spectroscopy, and transmission electron microscopy (TEM). Glass slides and nacre pucks were implanted onto the growth surface of living abalone and removed periodically to observe trends in nacre deposition. Various deproteinization and demineralization experiments are used to explore the inorganic and organic components of the nacre's structure. The organic component of the shell is characterized by atomic force microscopy (AFM). The functionality of various biological materials is described and investigated. Two specific types of functionality are characterized, the ability of some materials to cut and puncture through sharp designs, and the ability for some materials to be used as attachment devices. Aspects of cutting materials employed by a broad range of animals were characterized and compared. In respect to the attachment mechanisms the foot of the abalone and the tree frog were

  9. Fabrication and application of advanced functional materials from lignincellulosic biomass

    Science.gov (United States)

    Hu, Sixiao

    This dissertation explored the conversion of lignocellulosic biomass into advanced functional materials and their potential applications. Lignocellulosic biomass represents an as-of-yet underutilized renewable source for not only biofuel production but also functional materials fabrication. This renewable source is a great alternative for fossil fuel based chemicals, which could be one of the solutions to energy crisis. In this work, it was demonstrated a variety of advanced materials including functional carbons, metal and silica nanoparticles could be derived from lignocellulosic biomass. Chapter 1 provided overall reviewed of the lignin structures, productions and its utilizations as plastics, absorbents and carbons, as well as the preparation of nano-structured silver, silica and silicon carbide/nitride from biomass. Chapter 2, 3 and 4 discussed the fabrication of highly porous carbons from isolated lignin, and their applications as electric supercapacitors for energy storage. In chapter 2, ultrafine porous carbon fibers were prepared via electrospinning followed by simultaneous carbonization and activation. Chapter 3 covered the fabrication of supercapacitor based on the porous carbon fibers and the investigation of their electrochemical performances. In chapter 4, porous carbon particulates with layered carbon nano plates structures were produced by simple oven-drying followed by simultaneous carbonization and activation. The effects of heat processing parameters on the resulting carbon structures and their electrochemical properties were discussed in details. Chapter 5 and 6 addressed the preparation of silver nanoparticles using lignin. Chapter 5 reported the synthesis, underlying kinetics and mechanism of monodispersed silver nanospheres with diameter less than 25 nm in aqueous solutions using lignin as dual reducing and capping agents. Chapter 6 covered the preparation of silver nanoparticles on electrospun celluloses ultrafine fibers using lignin as both

  10. Damage functions generation for polyatomic materials irradiated in test reactors

    International Nuclear Information System (INIS)

    Alberman, A.; Lesueur, D.

    1987-06-01

    Neutron exposure parameters in polyatomic materials is of great importance for fusion technology programs. The COMPOSI code computes the number of displaced atoms of sub-lattice ''j'' induced by one atom of sub-lattice ''i'' either by direct collision or through intermediate knocked atom. The code uses Lindhard equations; it is solved by iterative process. The atomic displacements cross-sections, as a function of neutron energy are derived by folding previous results with ''i'' type PKA. Moreover the COMPOSI code may include recoils from charged particles e.g.: Alpha + Triton from Li 6 capture in Li Al 0 2 . These responses in various spectra are discussed [fr

  11. Surface regulated arsenenes as Dirac materials: From density functional calculations

    International Nuclear Information System (INIS)

    Yuan, Junhui; Xie, Qingxing; Yu, Niannian; Wang, Jiafu

    2017-01-01

    Highlights: • The presence of Dirac cones in chemically decorated buckled arsenene AsX (X = CN, NC, NCO, NCS, and NCSe) has been revealed. • First-principles calculations show that all these chemically decorated arsenenes are kinetically stable in defending thermal fluctuations in room temperature. - Abstract: Using first principle calculations based on density functional theory (DFT), we have systematically investigated the structure stability and electronic properties of chemically decorated arsenenes, AsX (X = CN, NC, NCO, NCS and NCSe). Phonon dispersion and formation energy analysis reveal that all the five chemically decorated buckled arsenenes are energetically favorable and could be synthesized. Our study shows that wide-bandgap arsenene would turn into Dirac materials when functionalized by -X (X = CN, NC, NCO, NCS and NCSe) groups, rendering new promises in next generation high-performance electronic devices.

  12. Development of symmetric composition-gradient materials including hard particles in its surface layer; Hyosobu ni koshitsu ryushi wo fukumu taishogata sosei keisha zairyo no kaihatsu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-03-01

    Development of new materials with both thermal resistance and thermal shock resistance was studied on the basis of symmetric ceramics/metal/ceramics gradient composition. Al2O3/TiC/Ni/TiC/Al2O3 was used as material model of basic composition, and the system was selected where WC-Co system alloy hard particles were dispersed into the Al2O3 ceramic surface layer. The layered material was sintered in N2 gas atmosphere by SHS/HIP method using exothermic caused by nitriding reaction. Since cracks were generated in some specimens of 5-layer structure, improved specimens of 7-layer structure were prepared. To examine the effect of a particle size on toughness, WC-Co system alloy specimens with different particle sizes were also prepared. As a result, no cracks were found, and residual stress and fracture toughness were affected by particle size. In addition, the following were studied: technique of mass production, observation of fine structures, analysis of thermal stress, thermal shock resistance, and friction and abrasion characteristics. 13 refs., 65 figs., 15 tabs.

  13. Investigation of dynamic fracture behavior in functionally graded materials

    International Nuclear Information System (INIS)

    Yang, X B; Qin, Y P; Zhuang, Z; You, X C

    2008-01-01

    The fast running crack in functionally graded materials (FGMs) is investigated through numerical simulations under impact loading. Some fracture characterizations such as crack propagation and arrest are evaluated by the criterion of the crack tip opening angle. Based on the experimental results, the whole propagation process of the fast running crack is simulated by the finite element program. Thus, the dynamic fracture parameters can be obtained during the crack growing process. In this paper, the crack direction is assumed to be the graded direction of the materials, and the property gradation in FGMs is considered by varying the elastic modulus exponentially along the graded direction and keeping the mass density and Poisson's ratio constant. The influences of the non-homogeneity, the loading ratio and the crack propagation speed on the dynamic fracture response of FGMs are analyzed through the test and numerical analysis. Considering the potential application of FGMs in natural-gas transmission engineering, a functionally graded pipeline is designed to arrest the fast running crack for a short period in high pressure large diameter natural-gas pipelines

  14. Materiality matters: Blurred boundaries and the domestication of functional foods.

    Science.gov (United States)

    Weiner, Kate; Will, Catherine

    2015-06-01

    Previous scholarship on novel foods, including functional foods, has suggested that they are difficult to categorise for both regulators and users. It is argued that they blur the boundary between 'food' and 'drug' and that uncertainties about the products create 'experimental' or 'restless' approaches to consumption. We investigate these uncertainties drawing on data about the use of functional foods containing phytosterols, which are licensed for sale in the EU for people wishing to reduce their cholesterol. We start from an interest in the products as material objects and their incorporation into everyday practices. We consider the scripts encoded in the physical form of the products through their regulation, production and packaging and find that these scripts shape but do not determine their use. The domestication of phytosterols involves bundling the products together with other objects (pills, supplements, foodstuffs). Considering their incorporation into different systems of objects offers new understandings of the products as foods or drugs. In their accounts of their practices, consumers appear to be relatively untroubled by uncertainties about the character of the products. We conclude that attending to materials and practices offers a productive way to open up and interrogate the idea of categorical uncertainties surrounding new food products.

  15. Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory

    Science.gov (United States)

    Győrffy, Werner; Knizia, Gerald; Werner, Hans-Joachim

    2017-12-01

    We present the theory and algorithms for computing analytical energy gradients for explicitly correlated second-order Møller-Plesset perturbation theory (MP2-F12). The main difficulty in F12 gradient theory arises from the large number of two-electron integrals for which effective two-body density matrices and integral derivatives need to be calculated. For efficiency, the density fitting approximation is used for evaluating all two-electron integrals and their derivatives. The accuracies of various previously proposed MP2-F12 approximations [3C, 3C(HY1), 3*C(HY1), and 3*A] are demonstrated by computing equilibrium geometries for a set of molecules containing first- and second-row elements, using double-ζ to quintuple-ζ basis sets. Generally, the convergence of the bond lengths and angles with respect to the basis set size is strongly improved by the F12 treatment, and augmented triple-ζ basis sets are sufficient to closely approach the basis set limit. The results obtained with the different approximations differ only very slightly. This paper is the first step towards analytical gradients for coupled-cluster singles and doubles with perturbative treatment of triple excitations, which will be presented in the second part of this series.

  16. Natural material adsorbed onto a polymer to enhance immune function

    Directory of Open Access Journals (Sweden)

    Reinaque AP

    2012-08-01

    Full Text Available Ana Paula Barcelos Reinaque,1 Eduardo Luzía França,2 Edson Fredulin Scherer,3 Mayra Aparecida Côrtes,1 Francisco José Dutra Souto,4 Adenilda Cristina Honorio-França51Post Graduate Program in Material Science, 2Institute of Biological and Health Science, Federal University of Mato Grosso, Barra do Garças, 3Post Graduate Program in Material Science, Institute of Biological and Health Science, Federal University of Mato Grosso, Pontal do Araguaia, 4Faculty of Medical Sciences, Federal University of Mato Grosso, Cuiabá, 5Institute of Biological and Health Science, Federal University of Mato Grosso, Pontal do Araguaia, MT, BrazilBackground: In this study, we produced poly(ethylene glycol (PEG microspheres of different sizes and adsorbing a medicinal plant mixture, and verified their effect in vitro on the viability, superoxide production, and bactericidal activity of phagocytes in the blood.Methods: The medicinal plant mixture was adsorbed onto PEG microspheres and its effects were evaluated by flow cytometry and fluorescence microscopy.Results: Adsorption of the herbal mixture onto the PEG microspheres was achieved and the particles were internalized by phagocytes. PEG microspheres bearing the adsorbed herbal mixture stimulated superoxide release, and activated scavenging and microbicidal activity in phagocytes. No differences in functional activity were observed when the phagocytes were not incubated with PEG microspheres bearing the adsorbed herbal mixture.Conclusion: This system may be useful for the delivery of a variety of medicinal plants and can confer additional protection against infection. The data reported here suggest that a polymer adsorbed with a natural product is a treatment alternative for enhancing immune function.Keywords: natural product, polymer, adsorption, immune function, phagocytes

  17. Functionalization of group-14 two-dimensional materials

    Science.gov (United States)

    Krawiec, Mariusz

    2018-06-01

    The great success of graphene has boosted intensive search for other single-layer thick materials, mainly composed of group-14 atoms arranged in a honeycomb lattice. This new class of two-dimensional (2D) crystals, known as 2D-Xenes, has become an emerging field of intensive research due to their remarkable electronic properties and the promise for a future generation of nanoelectronics. In contrast to graphene, Xenes are not completely planar, and feature a low buckled geometry with two sublattices displaced vertically as a result of the interplay between sp2 and sp3 orbital hybridization. In spite of the buckling, the outstanding electronic properties of graphene governed by Dirac physics are preserved in Xenes too. The buckled structure also has several advantages over graphene. Together with the spin–orbit (SO) interaction it may lead to the emergence of various experimentally accessible topological phases, like the quantum spin Hall effect. This in turn would lead to designing and building new electronic and spintronic devices, like topological field effect transistors. In this regard an important issue concerns the electron energy gap, which for Xenes naturally exists owing to the buckling and SO interaction. The electronic properties, including the magnitude of the energy gap, can further be tuned and controlled by external means. Xenes can easily be functionalized by substrate, chemical adsorption, defects, charge doping, external electric field, periodic potential, in-plane uniaxial and biaxial stress, and out-of-plane long-range structural deformation, to name a few. This topical review explores structural, electronic and magnetic properties of Xenes and addresses the question of their functionalization in various ways, including external factors acting simultaneously. It also points to future directions to be explored in functionalization of Xenes. The results of experimental and theoretical studies obtained so far have many promising features making

  18. Bioinspiration from fish for smart material design and function

    International Nuclear Information System (INIS)

    Lauder, G V; Madden, P G A; Tangorra, J L; Anderson, E; Baker, T V

    2011-01-01

    Fish are a potentially rich source of inspiration for the design of smart materials. Fish exemplify the use of flexible materials to generate forces during locomotion, and a hallmark of fish functional design is the use of body and fin deformation to power propulsion and maneuvering. As a result of nearly 500 million years of evolutionary experimentation, fish design has a number of interesting features of note to materials engineers. In this paper we first provide a brief general overview of some key features of the mechanical design of fish, and then focus on two key properties of fish: the bilaminar mechanical design of bony fish fin rays that allows active muscular control of curvature, and the role of body flexibility in propulsion. After describing the anatomy of bony fish fin rays, we provide new data on their mechanical properties. Three-point bending tests and measurement of force inputs to and outputs from the fin rays show that these fin rays are effective displacement transducers. Fin rays in different regions of the fin differ considerably in their material properties, and in the curvature produced by displacement of one of the two fin ray halves. The mean modulus for the proximal (basal) region of the fin rays was 1.34 GPa, but this varied from 0.24 to 3.7 GPa for different fin rays. The distal fin region was less stiff, and moduli for the different fin rays measured varied from 0.11 to 0.67 GPa. These data are similar to those for human tendons (modulus around 0.5 GPa). Analysis of propulsion using flexible foils controlled using a robotic flapping device allows investigation of the effect of altering flexural stiffness on swimming speed. Flexible foils with the leading edge moved in a heave show a distinct peak in propulsive performance, while the addition of pitch input produces a broad plateau where the swimming speed is relatively unaffected by the flexural stiffness. Our understanding of the material design of fish and the control of tissue

  19. Convergent sum of gradient expansion of the kinetic-energy density functional up to the sixth order term using Padé approximant

    Science.gov (United States)

    Sergeev, A.; Alharbi, F. H.; Jovanovic, R.; Kais, S.

    2016-04-01

    The gradient expansion of the kinetic energy density functional, when applied to atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverges in the sixth order. We avoid the divergence of the integral by replacing the asymptotic series including the sixth order term in the integrand by a rational function. Padé approximants show moderate improvements in accuracy in comparison with partial sums of the series. The results are discussed for atoms and Hooke’s law model for two-electron atoms.

  20. Gradient computation for VTI acoustic wavefield tomography

    KAUST Repository

    Li, Vladimir; Wang, Hui; Tsvankin, Ilya; Diaz, Esteban; Alkhalifah, Tariq Ali

    2016-01-01

    -power objective functions. We also obtain the gradient expressions for the data-domain objective function, which can incorporate borehole information necessary for stable VTI velocity analysis. These gradients are compared to the ones obtained with a space

  1. Ultrathin coatings of nanoporous materials as property enhancements for advanced functional materials

    International Nuclear Information System (INIS)

    Coker, Eric Nicholas

    2010-01-01

    This report summarizes the findings of a five-month LDRD project funded through Sandia's NTM Investment Area. The project was aimed at providing the foundation for the development of advanced functional materials through the application of ultrathin coatings of microporous or mesoporous materials onto the surface of substrates such as silicon wafers. Prior art teaches that layers of microporous materials such as zeolites may be applied as, e.g., sensor platforms or gas separation membranes. These layers, however, are typically several microns to several hundred microns thick. For many potential applications, vast improvements in the response of a device could be realized if the thickness of the porous layer were reduced to tens of nanometers. However, a basic understanding of how to synthesize or fabricate such ultra-thin layers is lacking. This report describes traditional and novel approaches to the growth of layers of microporous materials on silicon wafers. The novel approaches include reduction of the quantity of nutrients available to grow the zeolite layer through minimization of solution volume, and reaction of organic base (template) with thermally-oxidized silicon wafers under a steam atmosphere to generate ultra-thin layers of zeolite MFI.

  2. Template-assisted growth of nano structured functional materials

    International Nuclear Information System (INIS)

    Ying, K.K.; Nur Ubaidah Saidin; Khuan, N.I.; Suhaila Hani Ilias; Foo, C.T.

    2012-01-01

    Template-assisted growth is an important nano electrochemical deposition technique for synthesizing one-dimensional (1-D) nano structures with uniformly well-controlled shapes and sizes. A good template with well-defined dimensions is imperative for realizing this task. Porous anodic alumina (PAA) has been a favorable candidate for this purpose as it can be tailor-made with precise pore geometries, such as pore length and diameter as well as inter-pore distances, via the anodization of pure aluminium. This paper reports the fabrication of PAA templates and electrochemical synthesis of functional nano structures in the form of nano wires using PAA templates as scaffolds. Axial heterostructure and homogeneous nano wires formed by engineering materials configuration via composition and/ or layer thickness variations were fabricated for different functionalities. X-ray diffraction and imaging techniques were used to alucidate the microstructures, morphologies and chemical compositions of the nano wires produced. Due to their large surface area-to-volume ratios, and therefore high sensitivities, these functional nano structures have useful applications as critical components in nano sensor devices and various areas of nano technology. Potential applications include as hydrogen gas sensors in nuclear power plant for monitoring structural integrity of reactor components and containment building, as well as environmental monitoring of air pollution and leakages of toxic gases and chemicals. (Author)

  3. Functionalization of mesoporous materials for lanthanide and actinide extraction.

    Science.gov (United States)

    Florek, Justyna; Giret, Simon; Juère, Estelle; Larivière, Dominic; Kleitz, Freddy

    2016-10-14

    Among the energy sources currently available that could address our insatiable appetite for energy and minimize our CO2 emission, solar, wind, and nuclear energy currently occupy an increasing portion of our energy portfolio. The energy associated with these sources can however only be harnessed after mineral resources containing valuable constituents such as actinides (Ac) and rare earth elements (REEs) are extracted, purified and transformed into components necessary for the conversion of energy into electricity. Unfortunately, the environmental impacts resulting from their manufacture including the generation of undesirable and, sometimes, radioactive wastes and the non-renewable nature of the mineral resources, to name a few, have emerged as challenges that should be addressed by the scientific community. In this perspective, the recent development of functionalized solid materials dedicated to selective elemental separation/pre-concentration could provide answers to several of the above-mentioned challenges. This review focuses on recent advances in the field of mesoporous solid-phase (SP) sorbents designed for REEs and Ac liquid-solid extraction. Particular attention will be devoted to silica and carbon sorbents functionalized with commonly known ligands, such as phosphorus or amide-containing functionalities. The extraction performances of these new systems are discussed in terms of sorption capacity and selectivity. In order to support potential industrial applications of the silica and carbon-based sorbents, their main drawbacks and advantages are highlighted and discussed.

  4. An efficient formulation and implementation of the analytic energy gradient method to the single and double excitation coupled-cluster wave function - Application to Cl2O2

    Science.gov (United States)

    Rendell, Alistair P.; Lee, Timothy J.

    1991-01-01

    The analytic energy gradient for the single and double excitation coupled-cluster (CCSD) wave function has been reformulated and implemented in a new set of programs. The reformulated set of gradient equations have a smaller computational cost than any previously published. The iterative solution of the linear equations and the construction of the effective density matrices are fully vectorized, being based on matrix multiplications. The new method has been used to investigate the Cl2O2 molecule, which has recently been postulated as an important intermediate in the destruction of ozone in the stratosphere. In addition to reporting computational timings, the CCSD equilibrium geometries, harmonic vibrational frequencies, infrared intensities, and relative energetics of three isomers of Cl2O2 are presented.

  5. Harvesting bioenergy with rationally designed complex functional materials

    Science.gov (United States)

    Kuang, Liangju

    A key challenge in renewable energy is to capture, convert and store solar power with earth-abundant materials and environmentally benign technologies. The goal of this thesis is to develop rationally designed complex functional materials for bio-renewable energy applications. On one hand, photoconversion membrane proteins (MPs) are nature's nanoengineering feats for renewable energy management. Harnessing their functions in synthetic systems could help understand, predict, and ultimately control matter and energy at the nanoscale. This is particularly enticing in the post-genome era as recombinant or cell-free expression of many MPs with high yields becomes possible. However, the labile nature of lipid bilayers renders them unsuitable for use in a broad range of engineered systems. A knowledge gap exists about how to design robust synthetic nanomembranes as lipid-bilayer-mimics to support MP functions and how to direct hierarchical MP reconstitution into those membranes to form 2-D or 3-D ordered proteomembrane arrays. Our studies on proteorhodopsin (PR) and bacterial reaction center (BRC), the two light-harvesting MPs, reveal that a charge-interaction-directed reconstitution (CIDR) mechanism induces spontaneous reconstitution of detergent-solubilized MPs into various amphiphilic block copolymer membranes, many of which have far superior stability than lipid bilayers. Our preliminary data also suggest MPs are not enslaved by the biological membranes they derive from; rather, the chemically nonspecific material properties of MP-supporting membranes may act as allosteric regulators. Versatile chemical designs are possible to modulate the conformational energetics of MPs, hence their transport performance in synthetic systems. On the other hand, microalgae are widely regarded as a sustainable feedstock for biofuel production. Microalgae-derived biofuels have not been commercialized yet because current technologies for microalgae dewatering add a huge cost to the

  6. Functionally Graded Thermoelectric Material though One Step Band Gap and Dopant Engineering

    DEFF Research Database (Denmark)

    Jensen, Ellen Marie; Borup, Kasper Andersen; Cederkrantz, Daniel

    , and dopant concentration. Parameters relevant to the thermoelectric properties have been determined along the pulling direction. All of these properties exhibit the wanted gradient. It has thereby been shown that engineering of the electrical contributions to the thermoelectric properties of a material...

  7. Reconstruction of Single-Grain Orientation Distribution Functions for Crystalline Materials

    DEFF Research Database (Denmark)

    Hansen, Per Christian; Sørensen, Henning Osholm; Sükösd, Zsuzsanna

    2009-01-01

    for individual grains of the material in consideration. We study two iterative large-scale reconstruction algorithms, the algebraic reconstruction technique (ART) and conjugate gradients for least squares (CGLS), and demonstrate that right preconditioning is necessary in both algorithms to provide satisfactory...

  8. Inkjet Printing of Functional Materials for Optical and Photonic Applications

    Science.gov (United States)

    Alamán, Jorge; Alicante, Raquel; Peña, Jose Ignacio; Sánchez-Somolinos, Carlos

    2016-01-01

    Inkjet printing, traditionally used in graphics, has been widely investigated as a valuable tool in the preparation of functional surfaces and devices. This review focuses on the use of inkjet printing technology for the manufacturing of different optical elements and photonic devices. The presented overview mainly surveys work done in the fabrication of micro-optical components such as microlenses, waveguides and integrated lasers; the manufacturing of large area light emitting diodes displays, liquid crystal displays and solar cells; as well as the preparation of liquid crystal and colloidal crystal based photonic devices working as lasers or optical sensors. Special emphasis is placed on reviewing the materials employed as well as in the relevance of inkjet in the manufacturing of the different devices showing in each of the revised technologies, main achievements, applications and challenges. PMID:28774032

  9. Inkjet Printing of Functional Materials for Optical and Photonic Applications

    Directory of Open Access Journals (Sweden)

    Jorge Alamán

    2016-11-01

    Full Text Available Inkjet printing, traditionally used in graphics, has been widely investigated as a valuable tool in the preparation of functional surfaces and devices. This review focuses on the use of inkjet printing technology for the manufacturing of different optical elements and photonic devices. The presented overview mainly surveys work done in the fabrication of micro-optical components such as microlenses, waveguides and integrated lasers; the manufacturing of large area light emitting diodes displays, liquid crystal displays and solar cells; as well as the preparation of liquid crystal and colloidal crystal based photonic devices working as lasers or optical sensors. Special emphasis is placed on reviewing the materials employed as well as in the relevance of inkjet in the manufacturing of the different devices showing in each of the revised technologies, main achievements, applications and challenges.

  10. Si Functionalization With Dye Molecular as Light-Harvesting Material

    International Nuclear Information System (INIS)

    Nurul Aqidah Mohd Sinin; Mohd Adib Ibrahim; Mohd Asri Mat Teridi; Norasikin Ahmad Ludin; Suhaila Sepeai; Kamaruzzaman Sopian

    2015-01-01

    The surface plays an important role in thin silicon solar cells, especially with regard to the surface state and interface electronic properties that influence the electron and hole to recombine. In order to keep the recombination loss at a tolerable minimum and avoid an unacceptably large efficiency loss when moving towards thinner silicon materials, the surface must be electronically well passivated. Passivation is the most significant step for the functionalization of silicon. In this study, Si functionalization with a dye molecule might increase the absorption of light that acts as light-harvesting material on the silicon surface. Two types of dye molecular were used; DiL (λ_p_e_a_k = 549 nm) and DiO (λ_p_e_a_k = 484 nm). Both dyes were deposited using a spin-coating technique. These dye layers on the silicon surface were characterized using a Kelvin probe (KP) and photoluminescence (PL) spectroscopy. A different mechanism of slow charge trapping and detrapping was observed using KP measurement. A lifetime decay was observed that indicated a slow process of charge detrapping, owing to light trapping inside the dye/ SiNW interface, with a slow process for an equilibrium to establish between the surface states and the space charge region. An average lifetime of the entire fluorescence decay process was recorded at about 1.24 ns (DiO) and 0.22 ns (DiL), using PL spectroscopy. We show conclusively that these two types of dye can be used as light absorbers, in order to improve the surface properties of the silicon. (author)

  11. 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.

  12. Predicting critical temperatures of iron(II) spin crossover materials: Density functional theory plus U approach

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yachao, E-mail: yczhang@nano.gznc.edu.cn [Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Guizhou Normal College, Guiyang 550018, Guizhou (China)

    2014-12-07

    A first-principles study of critical temperatures (T{sub c}) of spin crossover (SCO) materials requires accurate description of the strongly correlated 3d electrons as well as much computational effort. This task is still a challenge for the widely used local density or generalized gradient approximations (LDA/GGA) and hybrid functionals. One remedy, termed density functional theory plus U (DFT+U) approach, introduces a Hubbard U term to deal with the localized electrons at marginal computational cost, while treats the delocalized electrons with LDA/GGA. Here, we employ the DFT+U approach to investigate the T{sub c} of a pair of iron(II) SCO molecular crystals (α and β phase), where identical constituent molecules are packed in different ways. We first calculate the adiabatic high spin-low spin energy splitting ΔE{sub HL} and molecular vibrational frequencies in both spin states, then obtain the temperature dependent enthalpy and entropy changes (ΔH and ΔS), and finally extract T{sub c} by exploiting the ΔH/T − T and ΔS − T relationships. The results are in agreement with experiment. Analysis of geometries and electronic structures shows that the local ligand field in the α phase is slightly weakened by the H-bondings involving the ligand atoms and the specific crystal packing style. We find that this effect is largely responsible for the difference in T{sub c} of the two phases. This study shows the applicability of the DFT+U approach for predicting T{sub c} of SCO materials, and provides a clear insight into the subtle influence of the crystal packing effects on SCO behavior.

  13. Nonlinear analysis of thermally and electrically actuated functionally graded material microbeam.

    Science.gov (United States)

    Li, Yingli; Meguid, S A; Fu, Yiming; Xu, Daolin

    2014-02-08

    In this paper, we provide a unified and self-consistent treatment of a functionally graded material (FGM) microbeam with varying thermal conductivity subjected to non-uniform or uniform temperature field. Specifically, it is our objective to determine the effect of the microscopic size of the beam, the electrostatic gap, the temperature field and material property on the pull-in voltage of the microbeam under different boundary conditions. The non-uniform temperature field is obtained by integrating the steady-state heat conduction equation. The governing equations account for the microbeam size by introducing an internal material length-scale parameter that is based on the modified couple stress theory. Furthermore, it takes into account Casimir and van der Waals forces, and the associated electrostatic force with the first-order fringing field effects. The resulting nonlinear differential equations were converted to a coupled system of algebraic equations using the differential quadrature method. The outcome of our work shows the dramatic effect and dependence of the pull-in voltage of the FGM microbeam upon the temperature field, its gradient for a given boundary condition. Specifically, both uniform and non-uniform thermal loading can actuate the FGM microbeam even without an applied voltage. Our work also reveals that the non-uniform temperature field is more effective than the uniform temperature field in actuating a FGM cantilever-type microbeam. For the clamped-clamped case, care must be taken to account for the effective use of thermal loading in the design of microbeams. It is also observed that uniform thermal loading will lead to a reduction in the pull-in voltage of a FGM microbeam for all the three boundary conditions considered.

  14. Investigational research on highly functional carbon and related materials (HF-CRMs); Tansokei kokino zairyo no chosa kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-03-01

    The paper arranged a fiscal 1997 guiding study of highly functional carbon and related materials (HF-CRMs). In the material invention field, described were the composition by interatomic control technology and the characteristics of pure carbon nanotubes, carbynes, graphite, fullerene polymer, porous carbon, etc. Heteroelement substituted materials were also described. The paper also reported the application of HF-CRMs to the electric/chemical field, and arranged the basement technology and applicability of diamond in particular. The subjects are enhancement of composition technology and reduction of the price of processing technology. Especially, the control of impurities and defects is a must for the electric use. The application of HF-CRMs to the mechanical field was reported. Superlubricant, wear resistant and high temperature corrosion resistant materials were taken up, and were surveyed in terms of their use mostly to refuse incineration power generation boilers, and thermal power generation use turbines. In the development of mechanical materials, technologies were surveyed especially for large area/complex shape film formation to form films for various parts, functionally gradient film formation for relaxation of thermal stress and residual stress in the film, and high speed film formation for quantity production. 363 refs., 88 figs., 10 tabs.

  15. Validation for 2D/3D registration II: The comparison of intensity- and gradient-based merit functions using a new gold standard data set

    International Nuclear Information System (INIS)

    Gendrin, Christelle; Markelj, Primoz; Pawiro, Supriyanto Ardjo; Spoerk, Jakob; Bloch, Christoph; Weber, Christoph; Figl, Michael; Bergmann, Helmar; Birkfellner, Wolfgang; Likar, Bostjan; Pernus, Franjo

    2011-01-01

    Purpose: A new gold standard data set for validation of 2D/3D registration based on a porcine cadaver head with attached fiducial markers was presented in the first part of this article. The advantage of this new phantom is the large amount of soft tissue, which simulates realistic conditions for registration. This article tests the performance of intensity- and gradient-based algorithms for 2D/3D registration using the new phantom data set. Methods: Intensity-based methods with four merit functions, namely, cross correlation, rank correlation, correlation ratio, and mutual information (MI), and two gradient-based algorithms, the backprojection gradient-based (BGB) registration method and the reconstruction gradient-based (RGB) registration method, were compared. Four volumes consisting of CBCT with two fields of view, 64 slice multidetector CT, and magnetic resonance-T1 weighted images were registered to a pair of kV x-ray images and a pair of MV images. A standardized evaluation methodology was employed. Targets were evenly spread over the volumes and 250 starting positions of the 3D volumes with initial displacements of up to 25 mm from the gold standard position were calculated. After the registration, the displacement from the gold standard was retrieved and the root mean square (RMS), mean, and standard deviation mean target registration errors (mTREs) over 250 registrations were derived. Additionally, the following merit properties were computed: Accuracy, capture range, number of minima, risk of nonconvergence, and distinctiveness of optimum for better comparison of the robustness of each merit. Results: Among the merit functions used for the intensity-based method, MI reached the best accuracy with an RMS mTRE down to 1.30 mm. Furthermore, it was the only merit function that could accurately register the CT to the kV x rays with the presence of tissue deformation. As for the gradient-based methods, BGB and RGB methods achieved subvoxel accuracy (RMS m

  16. Combined short scale roughness and surface dielectric function gradient effects on the determination of tip-sample force in atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gusso, André, E-mail: gusso@metal.eeimvr.uff.br [Departamento de Ciências Exatas-EEIMVR, Universidade Federal Fluminense, Volta Redonda, RJ 27255-125 (Brazil)

    2013-11-11

    The contribution of tip roughness to the van der Waals force between an atomic force microscopy probe tip and the sample is calculated using the multilayer effective medium model, which allows us to consider the relevant case of roughness characterized by correlation length and amplitude in the nanometer scale. The effect of the surface dielectric function gradient is incorporated in the tip-sample force model. It is concluded that for rms roughness in the few nanometers range the effect of short scale tip roughness is quite significant.

  17. High Gradient Accelerator Research

    International Nuclear Information System (INIS)

    Temkin, Richard

    2016-01-01

    The goal of the MIT program of research on high gradient acceleration is the development of advanced acceleration concepts that lead to a practical and affordable next generation linear collider at the TeV energy level. Other applications, which are more near-term, include accelerators for materials processing; medicine; defense; mining; security; and inspection. The specific goals of the MIT program are: • Pioneering theoretical research on advanced structures for high gradient acceleration, including photonic structures and metamaterial structures; evaluation of the wakefields in these advanced structures • Experimental research to demonstrate the properties of advanced structures both in low-power microwave cold test and high-power, high-gradient test at megawatt power levels • Experimental research on microwave breakdown at high gradient including studies of breakdown phenomena induced by RF electric fields and RF magnetic fields; development of new diagnostics of the breakdown process • Theoretical research on the physics and engineering features of RF vacuum breakdown • Maintaining and improving the Haimson / MIT 17 GHz accelerator, the highest frequency operational accelerator in the world, a unique facility for accelerator research • Providing the Haimson / MIT 17 GHz accelerator facility as a facility for outside users • Active participation in the US DOE program of High Gradient Collaboration, including joint work with SLAC and with Los Alamos National Laboratory; participation of MIT students in research at the national laboratories • Training the next generation of Ph. D. students in the field of accelerator physics.

  18. A Gradient-Field Pulsed Eddy Current Probe for Evaluation of Hidden Material Degradation in Conductive Structures Based on Lift-Off Invariance.

    Science.gov (United States)

    Li, Yong; Jing, Haoqing; Zainal Abidin, Ilham Mukriz; Yan, Bei

    2017-04-25

    Coated conductive structures are widely adopted in such engineering fields as aerospace, nuclear energy, etc. The hostile and corrosive environment leaves in-service coated conductive structures vulnerable to Hidden Material Degradation (HMD) occurring under the protection coating. It is highly demanded that HMD can be non-intrusively assessed using non-destructive evaluation techniques. In light of the advantages of Gradient-field Pulsed Eddy Current technique (GPEC) over other non-destructive evaluation methods in corrosion evaluation, in this paper the GPEC probe for quantitative evaluation of HMD is intensively investigated. Closed-form expressions of GPEC responses to HMD are formulated via analytical modeling. The Lift-off Invariance (LOI) in GPEC signals, which makes the HMD evaluation immune to the variation in thickness of the protection coating, is introduced and analyzed through simulations involving HMD with variable depths and conductivities. A fast inverse method employing magnitude and time of the LOI point in GPEC signals for simultaneously evaluating the conductivity and thickness of HMD region is proposed, and subsequently verified by finite element modeling and experiments. It has been found from the results that along with the proposed inverse method the GPEC probe is applicable to evaluation of HMD in coated conductive structures without much loss in accuracy.

  19. Non-linear extension of FFT-based methods accelerated by conjugate gradients to evaluate the mechanical behavior of composite materials

    International Nuclear Information System (INIS)

    Gelebart, Lionel; Mondon-Cancel, Romain

    2013-01-01

    FFT-based methods are used to solve the problem of a heterogeneous unit-cell submitted to periodic boundary conditions, which is of a great interest in the context of numerical homogenization. Recently (in 2010), Brisard and Zeman proposed simultaneously to use Conjugate Gradient based solvers in order to improve the convergence properties (when compared to the basic scheme, proposed initially in 1994). The purpose of the paper is to extend this idea to the case of non-linear behaviors. The proposed method is based on a Newton-Raphson algorithm and can be applied to various kinds of behaviors (time dependant or independent, with or without internal variables) through a conventional integration procedure as used in finite element codes. It must be pointed out that this approach is fundamentally different from the traditional FFT-based approaches which rely on a fixed-point algorithm (e.g. basic scheme, Eyre and Milton accelerated scheme, Augmented Lagrangian scheme, etc.). The method is compared to the basic scheme on the basis of a simple application (a linear elastic spherical inclusion within a non-linear elastic matrix): a low sensitivity to the reference material and an improved efficiency, for a soft or a stiff inclusion, are observed. At first proposed for a prescribed macroscopic strain, the method is then extended to mixed loadings. (authors)

  20. Direct Observation of Active Material Concentration Gradients and Crystallinity Breakdown in LiFePO4 Electrodes During Charge/Discharge Cycling of Lithium Batteries.

    Science.gov (United States)

    Roberts, Matthew R; Madsen, Alex; Nicklin, Chris; Rawle, Jonathan; Palmer, Michael G; Owen, John R; Hector, Andrew L

    2014-04-03

    The phase changes that occur during discharge of an electrode comprised of LiFePO 4 , carbon, and PTFE binder have been studied in lithium half cells by using X-ray diffraction measurements in reflection geometry. Differences in the state of charge between the front and the back of LiFePO 4 electrodes have been visualized. By modifying the X-ray incident angle the depth of penetration of the X-ray beam into the electrode was altered, allowing for the examination of any concentration gradients that were present within the electrode. At high rates of discharge the electrode side facing the current collector underwent limited lithium insertion while the electrode as a whole underwent greater than 50% of discharge. This behavior is consistent with depletion at high rate of the lithium content of the electrolyte contained in the electrode pores. Increases in the diffraction peak widths indicated a breakdown of crystallinity within the active material during cycling even during the relatively short duration of these experiments, which can also be linked to cycling at high rate.

  1. Functional materials - Study of process for CVD SiC/C composite material

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Doo Jin; Wang, Chae Chyun; Lee, Young Jin; Oh, Byung Jun [Yonsei University, Seoul (Korea)

    2000-04-01

    The CVD SiC coating techniques are the one of high functional material manufactures that improve the thermal, wear, oxidization and infiltration resistance of the surface of raw materials and extend the life of material. Silicon carbide films have been grown onto graphite substrates by low pressure chemical vapor deposition using MTS(CH{sub 3}SiCl{sub 3}) as a source precursor and H{sub 2} or N{sub 2} as a diluent gas. The experiments for temperature and diluent gas addition changes were performed. The effect of temperature from 900 deg. C to 1350 deg. C and the alteration of diluent gas species on the growth rate and structure of deposits have been studied. The experimental results showed that the deposition rate increased with increasing deposition temperature irrespective of diluent gases and reactant depletion effect increased especially at H{sub 2} diluent gas ambient. As the diluent gas added, the growth rate decreased parabolically. For N{sub 2} addition, surface morphology of leaf-like structure appeared, and for H{sub 2}, faceted structure at 1350 deg. C. The observed features were involved by crystalline phase of {beta}-SiC and surface composition with different gas ambient. We also compared the experimental results of the effect of partial pressure on the growth rate with the results of theoretical approach based on the Langmuir-Hinshelwood model. C/SiC composites were prepared by isothermal chemical vapor infiltration (ICVI). In order to fabricate the more dense C/SiC composites, a novel process of the in-situ whisker growing and filling during ICVI was devised, which was manipulated by alternating dilute gas species. The denser C/SiC composites were successfully prepared by the novel process comparing with the conventional ICVI process. 64 refs., 36 figs., 5 tabs. (Author)

  2. Molecularly imprinted hydrogels as functional active packaging materials.

    Science.gov (United States)

    Benito-Peña, Elena; González-Vallejo, Victoria; Rico-Yuste, Alberto; Barbosa-Pereira, Letricia; Cruz, José Manuel; Bilbao, Ainhoa; Alvarez-Lorenzo, Carmen; Moreno-Bondi, María Cruz

    2016-01-01

    This paper describes the synthesis of novel molecularly imprinted hydrogels (MIHs) for the natural antioxidant ferulic acid (FA), and their application as packaging materials to prevent lipid oxidation of butter. A library of MIHs was synthesized using a synthetic surrogate of FA, 3-(4-hydroxy-3-methoxyphenyl)propionic acid (HFA), as template molecule, ethyleneglycol dimethacrylate (EDMA) as cross-linker, and 1-allylpiperazine (1-ALPP) or 2-(dimethylamino)ethyl methacrylate (DMAEMA), in combination with 2-hydroxyethyl methacrylate (HEMA) as functional monomers, at different molar concentrations. The DMAEMA/HEMA-based MIHs showed the greatest FA loading capacity, while the 1-ALLP/HEMA-based polymers exhibited the highest imprinting effect. During cold storage, FA-loaded MIHs protected butter from oxidation and led to TBARs values that were approximately half those of butter stored without protection and 25% less than those recorded for butter covered with hydrogels without FA, potentially extending the shelf life of butter. Active packaging is a new field of application for MIHs with great potential in the food industry. Copyright © 2015 Elsevier Ltd. All rights reserved.

  3. Review of selected dynamic material control functions for international safeguards

    International Nuclear Information System (INIS)

    Lowry, L.L.

    1980-09-01

    With the development of Dynamic Special Nuclear Material Accounting and Control systems used in nuclear manufacturing and reprocessing plants, there arises the question as to how these systems affect the IAEA inspection capabilities. The systems in being and under development provide information and control for a variety of purposes important to the plant operator, the safeguards purpose being one of them. This report attempts to judge the usefulness of these dynamic systems to the IAEA and have defined 12 functions that provide essential information to it. If the information acquired by these dynamic systems is to be useful to the IAEA, the inspectors must be able to independently verify it. Some suggestions are made as to how this might be done. But, even if it should not be possible to verify all the data, the availability to the IAEA of detailed, simultaneous, and plant-wide information would tend to inhibit a plant operator from attempting to generate a floating or fictitious inventory. Suggestions are made that might be helpful in the design of future software systems, an area which has proved to be fatally deficient in some systems and difficult in all

  4. Functional requirements document for measuring emissions of airborne radioactive materials

    International Nuclear Information System (INIS)

    Glissmeyer, J.A.; Alvarez, J.L.; Hoover, M.D.; Newton, G.C.; McFarland, A.R.; Rodgers, J.C.

    1994-11-01

    This document states the general functional requirements for systems and procedures for measuring emissions of airborne radioactive materials from facilities administered by the Westinghouse Hanford Company (WHC). The following issues are addressed in this document: lg-bullet definition of the program objectives lg-bullet selection of the overall approach to collecting the samples lg-bullet sampling equipment design lg-bullet sampling equipment maintenance and quality assurance issues. The following issues are not addressed in this document: lg-bullet air sampling in work areas or containments lg-bullet selection of specific on-line sample monitoring instrumentation lg-bullet analyzing collected samples lg-bullet reporting and interpreting results. The document provides equipment design guidance that is performance based rather than prescriptive. Locations from which samples are obtained should exhibit mixing of the contaminants with the airstream and acceptable air flow characteristics. Sample collection equipment and effluent and sample flow elements should meet defined performance standards. Quality control and assurance requirements specific to sample collection, equipment inspection, and calibration are presented. Key sample collection performance requirements are summarized in Section 5.4. The intent of this document is to assist WHC in demonstrating a high quality of air emission measurements with verified system performance based on documented system design, testing, inspection, and maintenance

  5. Gradient Boosting Machines, A Tutorial

    Directory of Open Access Journals (Sweden)

    Alexey eNatekin

    2013-12-01

    Full Text Available Gradient boosting machines are a family of powerful machine-learning techniques that have shown considerable success in a wide range of practical applications. They are highly customizable to the particular needs of the application, like being learned with respect to different loss functions. This article gives a tutorial introduction into the methodology of gradient boosting methods. A theoretical information is complemented with many descriptive examples and illustrations which cover all the stages of the gradient boosting model design. Considerations on handling the model complexity are discussed. A set of practical examples of gradient boosting applications are presented and comprehensively analyzed.

  6. Electron velocity distribution function in a plasma with temperature gradient and in the presence of suprathermal electrons: application to incoherent-scatter plasma lines

    Directory of Open Access Journals (Sweden)

    P. Guio

    Full Text Available The plasma dispersion function and the reduced velocity distribution function are calculated numerically for any arbitrary velocity distribution function with cylindrical symmetry along the magnetic field. The electron velocity distribution is separated into two distributions representing the distribution of the ambient electrons and the suprathermal electrons. The velocity distribution function of the ambient electrons is modelled by a near-Maxwellian distribution function in presence of a temperature gradient and a potential electric field. The velocity distribution function of the suprathermal electrons is derived from a numerical model of the angular energy flux spectrum obtained by solving the transport equation of electrons. The numerical method used to calculate the plasma dispersion function and the reduced velocity distribution is described. The numerical code is used with simulated data to evaluate the Doppler frequency asymmetry between the up- and downshifted plasma lines of the incoherent-scatter plasma lines at different wave vectors. It is shown that the observed Doppler asymmetry is more dependent on deviation from the Maxwellian through the thermal part for high-frequency radars, while for low-frequency radars the Doppler asymmetry depends more on the presence of a suprathermal population. It is also seen that the full evaluation of the plasma dispersion function gives larger Doppler asymmetry than the heat flow approximation for Langmuir waves with phase velocity about three to six times the mean thermal velocity. For such waves the moment expansion of the dispersion function is not fully valid and the full calculation of the dispersion function is needed.

    Key words. Non-Maxwellian electron velocity distribution · Incoherent scatter plasma lines · EISCAT · Dielectric response function

  7. Electron velocity distribution function in a plasma with temperature gradient and in the presence of suprathermal electrons: application to incoherent-scatter plasma lines

    Directory of Open Access Journals (Sweden)

    P. Guio

    1998-10-01

    Full Text Available The plasma dispersion function and the reduced velocity distribution function are calculated numerically for any arbitrary velocity distribution function with cylindrical symmetry along the magnetic field. The electron velocity distribution is separated into two distributions representing the distribution of the ambient electrons and the suprathermal electrons. The velocity distribution function of the ambient electrons is modelled by a near-Maxwellian distribution function in presence of a temperature gradient and a potential electric field. The velocity distribution function of the suprathermal electrons is derived from a numerical model of the angular energy flux spectrum obtained by solving the transport equation of electrons. The numerical method used to calculate the plasma dispersion function and the reduced velocity distribution is described. The numerical code is used with simulated data to evaluate the Doppler frequency asymmetry between the up- and downshifted plasma lines of the incoherent-scatter plasma lines at different wave vectors. It is shown that the observed Doppler asymmetry is more dependent on deviation from the Maxwellian through the thermal part for high-frequency radars, while for low-frequency radars the Doppler asymmetry depends more on the presence of a suprathermal population. It is also seen that the full evaluation of the plasma dispersion function gives larger Doppler asymmetry than the heat flow approximation for Langmuir waves with phase velocity about three to six times the mean thermal velocity. For such waves the moment expansion of the dispersion function is not fully valid and the full calculation of the dispersion function is needed.Key words. Non-Maxwellian electron velocity distribution · Incoherent scatter plasma lines · EISCAT · Dielectric response function

  8. Acoustic beam control in biomimetic projector via velocity gradient

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Xiaowei; Dong, Erqian; Song, Zhongchang [Key Laboratory of Underwater Acoustic Communication and Marine Information Technology of the Ministry of Education, Xiamen University, Xiamen 361005 (China); Zhang, Yu, E-mail: yuzhang@xmu.edu.cn, E-mail: dzk@psu.edu; Tang, Liguo [Key Laboratory of Underwater Acoustic Communication and Marine Information Technology of the Ministry of Education, Xiamen University, Xiamen 361005 (China); State Key Laboratory of Marine Environmental Science, Xiamen University, Xiamen 361005 (China); Cao, Wenwu, E-mail: yuzhang@xmu.edu.cn, E-mail: dzk@psu.edu [Department of Mathematics and Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Li, Songhai [Sanya Key Laboratory of Marin Mammal and Marine Bioacoustics, Sanya Institute of Deep-Sea Science and Engineering, Chinese Academy of Science, Sanya 57200 (China); Zhang, Sai [Faculty of Science, Jiangsu University, Zhenjiang 212013 (China)

    2016-07-04

    A biomimetic projector (BioP) based on computerized tomography of pygmy sperm whale's biosonar system has been designed using gradient-index (GRIN) material. The directivity of this BioP device was investigated as function of frequency and the velocity gradient of the GRIN material. A strong beam control over a broad bandwidth at the subwavelength scale has been achieved. Compared with a bare subwavelength source, the main lobe pressure of the BioP is about five times as high and the angular resolution is one order of magnitude better. Our results indicate that this BioP has excellent application potential in miniaturized underwater sonars.

  9. The little maghemite story: a classic functional material

    International Nuclear Information System (INIS)

    Dronskowski, R.

    2001-01-01

    Data storage is an integral part of today's society and is something that we tend to take for granted. In this article, the history of one of the most important magnetic information storage materials-maghemite-is presented from a unique perspective. As the story of this material unfolds, insight into the generally accepted scientific principles at different periods of time is gained as the major breakthroughs in the understanding of this material and magnetism in general are described. (orig.)

  10. Strain gradient effects in surface roughening

    DEFF Research Database (Denmark)

    Borg, Ulrik; Fleck, N.A.

    2007-01-01

    evidence for strain gradient effects. Numerical analyses of a bicrystal undergoing in-plane tensile deformation are also studied using a strain gradient crystal plasticity theory and also by using a strain gradient plasticity theory for an isotropic solid. Both theories include an internal material length...

  11. Work function characterization of electroactive materials using an E MOSFET

    NARCIS (Netherlands)

    Dam, T.V.A.; Olthuis, Wouter; Bergveld, Piet

    2004-01-01

    Materials with redox properties have been widely used in sensing applications. Understanding the redox properties of these materials is an important issue. In order to investigate the redox properties, there are several methods, such as using the Kelvin probe and a conductivity sensor, or using

  12. Amyloid Fibrils as Building Blocks for Natural and Artificial Functional Materials.

    Science.gov (United States)

    Knowles, Tuomas P J; Mezzenga, Raffaele

    2016-08-01

    Proteinaceous materials based on the amyloid core structure have recently been discovered at the origin of biological functionality in a remarkably diverse set of roles, and attention is increasingly turning towards such structures as the basis of artificial self-assembling materials. These roles contrast markedly with the original picture of amyloid fibrils as inherently pathological structures. Here we outline the salient features of this class of functional materials, both in the context of the functional roles that have been revealed for amyloid fibrils in nature, as well as in relation to their potential as artificial materials. We discuss how amyloid materials exemplify the emergence of function from protein self-assembly at multiple length scales. We focus on the connections between mesoscale structure and material function, and demonstrate how the natural examples of functional amyloids illuminate the potential applications for future artificial protein based materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Functional inks and printing of two-dimensional materials.

    Science.gov (United States)

    Hu, Guohua; Kang, Joohoon; Ng, Leonard W T; Zhu, Xiaoxi; Howe, Richard C T; Jones, Christopher G; Hersam, Mark C; Hasan, Tawfique

    2018-05-08

    Graphene and related two-dimensional materials provide an ideal platform for next generation disruptive technologies and applications. Exploiting these solution-processed two-dimensional materials in printing can accelerate this development by allowing additive patterning on both rigid and conformable substrates for flexible device design and large-scale, high-speed, cost-effective manufacturing. In this review, we summarise the current progress on ink formulation of two-dimensional materials and the printable applications enabled by them. We also present our perspectives on their research and technological future prospects.

  14. Non-Conventional Thermodynamics and Models of Gradient Elasticity

    Directory of Open Access Journals (Sweden)

    Hans-Dieter Alber

    2018-03-01

    Full Text Available We consider material bodies exhibiting a response function for free energy, which depends on both the strain and its gradient. Toupin–Mindlin’s gradient elasticity is characterized by Cauchy stress tensors, which are given by space-like Euler–Lagrange derivative of the free energy with respect to the strain. The present paper aims at developing a first version of gradient elasticity of non-Toupin–Mindlin’s type, i.e., a theory employing Cauchy stress tensors, which are not necessarily expressed as Euler–Lagrange derivatives. This is accomplished in the framework of non-conventional thermodynamics. A one-dimensional boundary value problem is solved in detail in order to illustrate the differences of the present theory with Toupin–Mindlin’s gradient elasticity theory.

  15. Sobolev gradients and differential equations

    CERN Document Server

    Neuberger, J W

    2010-01-01

    A Sobolev gradient of a real-valued functional on a Hilbert space is a gradient of that functional taken relative to an underlying Sobolev norm. This book shows how descent methods using such gradients allow a unified treatment of a wide variety of problems in differential equations. For discrete versions of partial differential equations, corresponding Sobolev gradients are seen to be vastly more efficient than ordinary gradients. In fact, descent methods with these gradients generally scale linearly with the number of grid points, in sharp contrast with the use of ordinary gradients. Aside from the first edition of this work, this is the only known account of Sobolev gradients in book form. Most of the applications in this book have emerged since the first edition was published some twelve years ago. What remains of the first edition has been extensively revised. There are a number of plots of results from calculations and a sample MatLab code is included for a simple problem. Those working through a fair p...

  16. Excessive signal transduction of gain-of-function variants of the calcium-sensing receptor (CaSR are associated with increased ER to cytosol calcium gradient.

    Directory of Open Access Journals (Sweden)

    Marianna Ranieri

    Full Text Available In humans, gain-of-function mutations of the calcium-sensing receptor (CASR gene are the cause of autosomal dominant hypocalcemia or type 5 Bartter syndrome characterized by an abnormality of calcium metabolism with low parathyroid hormone levels and excessive renal calcium excretion. Functional characterization of CaSR activating variants has been so far limited at demonstrating an increased sensitivity to external calcium leading to lower Ca-EC50. Here we combine high resolution fluorescence based techniques and provide evidence that for the efficiency of calcium signaling system, cells expressing gain-of-function variants of CaSR monitor cytosolic and ER calcium levels increasing the expression of the Sarco-Endoplasmic Reticulum Calcium-ATPase (SERCA and reducing expression of Plasma Membrane Calcium-ATPase (PMCA. Wild-type CaSR (hCaSR-wt and its gain-of-function (hCaSR-R990G; hCaSR-N124K variants were transiently transfected in HEK-293 cells. Basal intracellular calcium concentration was significantly lower in cells expressing hCaSR-wt and its gain of function variants compared to mock. In line, FRET studies using the D1ER probe, which detects [Ca2+]ER directly, demonstrated significantly higher calcium accumulation in cells expressing the gain of function CaSR variants compared to hCaSR-wt. Consistently, cells expressing activating CaSR variants showed a significant increase in SERCA activity and expression and a reduced PMCA expression. This combined parallel regulation in protein expression increases the ER to cytosol calcium gradient explaining the higher sensitivity of CaSR gain-of-function variants to external calcium. This control principle provides a general explanation of how cells reliably connect (and exacerbate receptor inputs to cell function.

  17. Consistent functional response of meadow species and communities to land-use changes across productivity and soilmoisture gradients

    Czech Academy of Sciences Publication Activity Database

    Májeková, M.; Janeček, Štěpán; Mudrák, Ondřej; Horník, J.; Janečková, Petra; Bartoš, Michael; Fajmon, K.; Jiráská, Š.; Götzenberger, Lars; Šmilauer, P.; Lepš, J.; de Bello, Francesco

    2016-01-01

    Roč. 19, č. 2 (2016), s. 196-205 ISSN 1402-2001 R&D Projects: GA ČR GAP505/12/1296 Institutional support: RVO:67985939 Keywords : Competition * Functional traits * Vegetation changes Subject RIV: EH - Ecology, Behaviour Impact factor: 2.474, year: 2016

  18. The orthogonal gradients method: A radial basis functions method for solving partial differential equations on arbitrary surfaces

    KAUST Repository

    Piret, Cé cile

    2012-01-01

    Much work has been done on reconstructing arbitrary surfaces using the radial basis function (RBF) method, but one can hardly find any work done on the use of RBFs to solve partial differential equations (PDEs) on arbitrary surfaces. In this paper

  19. Developing Novel Protein-based Materials using Ultrabithorax: Production, Characterization, and Functionalization

    Science.gov (United States)

    Huang, Zhao

    2011-12-01

    Compared to 'conventional' materials made from metal, glass, or ceramics, protein-based materials have unique mechanical properties. Furthermore, the morphology, mechanical properties, and functionality of protein-based materials may be optimized via sequence engineering for use in a variety of applications, including textile materials, biosensors, and tissue engineering scaffolds. The development of recombinant DNA technology has enabled the production and engineering of protein-based materials ex vivo. However, harsh production conditions can compromise the mechanical properties of protein-based materials and diminish their ability to incorporate functional proteins. Developing a new generation of protein-based materials is crucial to (i) improve materials assembly conditions, (ii) create novel mechanical properties, and (iii) expand the capacity to carry functional protein/peptide sequences. This thesis describes development of novel protein-based materials using Ultrabithorax, a member of the Hox family of proteins that regulate developmental pathways in Drosophila melanogaster. The experiments presented (i) establish the conditions required for the assembly of Ubx-based materials, (ii) generate a wide range of Ubx morphologies, (iii) examine the mechanical properties of Ubx fibers, (iv) incorporate protein functions to Ubx-based materials via gene fusion, (v) pattern protein functions within the Ubx materials, and (vi) examine the biocompatibility of Ubx materials in vitro. Ubx-based materials assemble at mild conditions compatible with protein folding and activity, which enables Ubx chimeric materials to retain the function of appended proteins in spatial patterns determined by materials assembly. Ubx-based materials also display mechanical properties comparable to existing protein-based materials and demonstrate good biocompatibility with living cells in vitro. Taken together, this research demonstrates the unique features and future potential of novel Ubx

  20. Additive manufacturing of a functionally graded material from Ti-6Al-4V to Invar: Experimental characterization and thermodynamic calculations

    International Nuclear Information System (INIS)

    Bobbio, Lourdes D.; Otis, Richard A.; Borgonia, John Paul; Dillon, R. Peter; Shapiro, Andrew A.; Liu, Zi-Kui; Beese, Allison M.

    2017-01-01

    In functionally graded materials (FGMs), the elemental composition, or structure, within a component varies gradually as a function of position, allowing for the gradual transition from one alloy to another, and the local tailoring of properties. One method for fabricating FGMs with varying elemental composition is through layer-by-layer directed energy deposition additive manufacturing. This work combines experimental characterization and computational analysis to investigate a material graded from Ti-6Al-4V to Invar 36 (64 wt% Fe, 36 wt% Ni). The microstructure, composition, phases, and microhardness were determined as a function of position within the FGM. During the fabrication process, detrimental phases associated with the compositional blending of the Ti-6Al-4V and Invar formed, leading to cracking in the final deposited part. Intermetallic phases (FeTi, Fe_2Ti, Ni_3Ti, and NiTi_2) were experimentally identified to occur throughout the gradient region, and were considered as the reason that the FGM cracked during fabrication. CALPHAD (CALculation of PHase Diagrams) thermodynamic calculations were used concurrently to predict phases that would form during the manufacturing process and were compared to the experimental results. The experimental-computational approach described herein for characterizing FGMs can be used to improve the understanding and design of other FGMs.

  1. Passivation of boron in silicon by hydrogen and muonium: calculation of electric field gradients, quadrupole resonance frequencies and cross relaxation functions

    International Nuclear Information System (INIS)

    Maric, Dj.M.; Meier, P.F.; Vogel, S.; Davis, E.A.

    1991-01-01

    The possibility of studying impurity passivation complexes in semiconductors by quadrupole resonance spectroscopy is examined. The problem is illustrated for the case of boron in silicon passivated with hydrogen or, equivalently, with muonium, since the radioactive light isotope in principle offers a greater sensitivity for detection of the spectra. Ab initio calculations on suitable cluster models of the passivation complexes provide estimates of the electric field gradients at the quadrupolar nuclei, and thereby predictions of the quadrupole resonance frequencies. Detection via cross-relaxation techniques is proposed, notably muon level crossing resonance (μLCR), and illustrated by calculation of the time dependence of the muon polarization function. Possible reasons for the absence of quadrupolar resonances in μLCR spectra recorded in exploratory experiments are discussed; these include the existence of a local tunnelling mode for the lighter isotope. (author)

  2. Spatial gradient tuning in metamaterials

    Science.gov (United States)

    Driscoll, Tom; Goldflam, Michael; Jokerst, Nan; Basov, Dimitri; Smith, David

    2011-03-01

    Gradient Index (GRIN) metamaterials have been used to create devices inspired by, but often surpassing the potential of, conventional GRIN optics. The unit-cell nature of metamaterials presents the opportunity to exert much greater control over spatial gradients than is possible in natural materials. This is true not only during the design phase but also offers the potential for real-time reconfiguration of the metamaterial gradient. This ability fits nicely into the picture of transformation-optics, in which spatial gradients can enable an impressive suite of innovative devices. We discuss methods to exert control over metamaterial response, focusing on our recent demonstrations using Vanadium Dioxide. We give special attention to role of memristance and mem-capacitance observed in Vanadium Dioxide, which simplify the demands of stimuli and addressing, as well as intersecting metamaterials with the field of memory-materials.

  3. The exponential function expansion of the intra-nodal cross sections for the spectral history gradient correction

    International Nuclear Information System (INIS)

    Cho, J. Y.; Noh, J. M.; Cheong, H. K.; Choo, H. K.

    1998-01-01

    In order to simplify the previous spectral history effect correction based on the polynomial expansion nodal method, a new spectral history effect correction is proposed. The new spectral history correction eliminates four microscopic depletion points out of total 13 depletion points in the previous correction by approximating the group cross sections with exponential function. The neutron flux to homogenize the group cross sections for the correction of the spectral history effect is calculated by the analytic function expansion nodal method in stead of the conventional polynomial expansion nodal method. This spectral history correction model is verified against the three MOX benchmark cores: a checkerboard type, a small core with 25 fuel assemblies, and a large core with 177 fuel assemblies. The benchmark results prove that this new spectral history correction model is superior to the previous one even with the reduced number of the local microscopic depletion points

  4. Correlations Between the Gradient of Contrast Density, Evaluated by Cardio CT, and Functional Significance of Coronary Artery Stenosis

    Directory of Open Access Journals (Sweden)

    Orzan Marius

    2016-06-01

    Full Text Available Background: Assessment of the hemodynamic significance of a coronary artery stenosis is a challenging task, being extremely important for the establishment of indication for revascularization in atherosclerotic coronary artery stenosis. The aim of this study was to evaluate the role of a new marker reflecting the functional significance of a coronary artery stenosis, represented by the attenuation degree of contrast density along the stenosis by Coronary CT.

  5. Functional gene array-based analysis of microbial community structure in groundwaters with a gradient of contaminant levels

    Energy Technology Data Exchange (ETDEWEB)

    Waldron, P.J.; Wu, L.; Van Nostrand, J.D.; Schadt, C.W.; Watson, D.B.; Jardine, P.M.; Palumbo, A.V.; Hazen, T.C.; Zhou, J.

    2009-06-15

    To understand how contaminants affect microbial community diversity, heterogeneity, and functional structure, six groundwater monitoring wells from the Field Research Center of the U.S. Department of Energy Environmental Remediation Science Program (ERSP; Oak Ridge, TN), with a wide range of pH, nitrate, and heavy metal contamination were investigated. DNA from the groundwater community was analyzed with a functional gene array containing 2006 probes to detect genes involved in metal resistance, sulfate reduction, organic contaminant degradation, and carbon and nitrogen cycling. Microbial diversity decreased in relation to the contamination levels of the wells. Highly contaminated wells had lower gene diversity but greater signal intensity than the pristine well. The microbial composition was heterogeneous, with 17-70% overlap between different wells. Metal-resistant and metal-reducing microorganisms were detected in both contaminated and pristine wells, suggesting the potential for successful bioremediation of metal-contaminated groundwaters. In addition, results of Mantel tests and canonical correspondence analysis indicate that nitrate, sulfate, pH, uranium, and technetium have a significant (p < 0.05) effect on microbial community structure. This study provides an overall picture of microbial community structure in contaminated environments with functional gene arrays by showing that diversity and heterogeneity can vary greatly in relation to contamination.

  6. Two dimensional dynamic analysis of sandwich plates with gradient foam cores

    Energy Technology Data Exchange (ETDEWEB)

    Mu, Lin; Xiao, Deng Bao; Zhao, Guiping [State Key Laboratory for Mechanical structure Strength and Vibration, School of AerospaceXi' an Jiaotong University, Xi' an (China); Cho, Chong Du [Dept. of Mechanical Engineering, Inha University, Inchon (Korea, Republic of)

    2016-09-15

    Present investigation is concerned about dynamic response of composite sandwich plates with the functionally gradient foam cores under time-dependent impulse. The analysis is based on a model of the gradient sandwich plate, in which the face sheets and the core adopt the Kirchhoff theory and a [2, 1]-order theory, respectively. The material properties of the gradient foam core vary continuously along the thickness direction. The gradient plate model is validated with the finite element code ABAQUS®. And the results show that the proposed model can predict well the free vibration of composite sandwich plates with gradient foam cores. The influences of gradient foam cores on the natural frequency, deflection and energy absorbing of the sandwich plates are also investigated.

  7. Functional properties of whey protein and its application in nanocomposite materials and functional foods

    Science.gov (United States)

    Walsh, Helen

    Whey is a byproduct of cheese making; whey proteins are globular proteins which can be modified and polymerized to add functional benefits, these benefits can be both nutritional and structural in foods. Modified proteins can be used in non-foods, being of particular interest in polymer films and coatings. Food packaging materials, including plastics, can linings, interior coatings of paper containers, and beverage cap sealing materials, are generally made of synthetic petroleum based compounds. These synthetic materials may pose a potential human health risk due to presence of certain chemicals such as Bisphenol A (BPA). They also add to environmental pollution, being difficult to degrade. Protein-based materials do not have the same issues as synthetics and so can be used as alternatives in many packaging types. As proteins are generally hydrophilic they must be modified structurally and their performance enhanced by the addition of waterproofing agents. Polymerization of whey proteins results in a network, adding both strength and flexibility. The most interesting of the food-safe waterproofing agents are the (large aspect ratio) nanoclays. Nanoclays are relatively inexpensive, widely available and have low environmental impact. The clay surface can be modified to make it organophilic and so compatible with organic polymers. The objective of this study is the use of polymerized whey protein (PWP), with reinforcing nanoclays, to produce flexible surface coatings which limit the transfer of contents while maintaining food safety. Four smectite and kaolin type clays, one treated and three natural were assessed for strengthening qualities and the potential waterproofing and plasticizing benefits of other additives were also analyzed. The nutritional benefits of whey proteins can also be used to enhance the protein content of various foodstuffs. Drinkable yogurt is a popular beverage in the US and other countries and is considered a functional food, especially when

  8. Development of functionally graded materials by ultrasonic consolidation

    CSIR Research Space (South Africa)

    Kumar, S

    2010-08-01

    Full Text Available parameters for welding various combinations of materials have been found for making a sample of aminimumo f62 foils of width 2” and length 3”. Optical microscopy and mirohardness test have been performed thereupon for the characterization....

  9. Geometrically non linear analysis of functionally graded material ...

    African Journals Online (AJOL)

    The nonlinear algebraic equations are solved using Newton Raphson iterative method. The numerical results are obtained for various boundary conditions, material variation parameter, aspect ratio, side to thickness ratio and compared with the available solutions. The effect of shear deformation and nonlinearity response ...

  10. Inkjet Printing of Functional Materials on Selectively Plasma Treated Surfaces

    NARCIS (Netherlands)

    ir Martijn van Dongen; ir Renee Verkuijlen; Dr Jan Bernards

    2011-01-01

    In manufacturing of organic electronics, inkjet printing as an alternative technique for depositing materials is becoming increasingly important. Aside to the ink formulations challenges, improving the resolution of the printed patterns is a major goal. In this study we will discuss a newly

  11. 3rd Workshop on metal ceramic materials for functional applications

    Energy Technology Data Exchange (ETDEWEB)

    Korb, G [Oesterreichisches Forschungszentrum Seibersdorf, 2444 Seibersdorf (Austria)

    1998-12-31

    This workshop contains contributions about materials and processing, characterization and modeling of properties and applications of metallic ceramics and composite structures. It was held on behalf of the Taiwan-Austrian scientific collaboration in Vienna, June 4{sup th} - 6{sup th} 1997. (Suda)

  12. 3rd Workshop on metal ceramic materials for functional applications

    International Nuclear Information System (INIS)

    Korb, G.

    1997-01-01

    This workshop contains contributions about materials and processing, characterization and modeling of properties and applications of metallic ceramics and composite structures. It was held on behalf of the Taiwan-Austrian scientific collaboration in Vienna, June 4 th - 6 th 1997. (Suda)

  13. DNA Block Copolymers : Functional Materials for Nanoscience and Biomedicine

    NARCIS (Netherlands)

    Schnitzler, Tobias; Herrmann, Andreas

    2012-01-01

    We live in a world full of synthetic materials, and the development of new technologies builds on the design and synthesis of new chemical structures, such as polymers. Synthetic macromolecules have changed the world and currently play a major role in all aspects of daily life. Due to their

  14. Peak negative myocardial velocity gradient in early diastole as a noninvasive indicator of left ventricular diastolic function: comparison with transmitral flow velocity indices.

    Science.gov (United States)

    Shimizu, Y; Uematsu, M; Shimizu, H; Nakamura, K; Yamagishi, M; Miyatake, K

    1998-11-01

    We sought to assess the clinical significance of peak negative myocardial velocity gradient (MVG) in early diastole as a noninvasive indicator of left ventricular (LV) diastolic function. Peak systolic MVG has been shown useful for the quantitative assessment of regional wall motion abnormalities, but limited data exist regarding the diastolic MVG as an indicator of LV diastolic function. Peak negative MVG was obtained from M-mode tissue Doppler imaging (TDI) in 43 subjects with or without impairment of systolic and diastolic performance: 12 normal subjects, 12 patients with hypertensive heart disease (HHD) with normal systolic performance and 19 patients with dilated cardiomyopathy (DCM), and was compared with standard Doppler transmitral flow velocity indices. In a subgroup of 30 patients, effects of preload increase on these indices were assessed by performing passive leg lifting. In an additional 11 patients with congestive heart failure at the initial examination, the measurements were repeated after 26+/-16 days of volume-reducing therapy. Peak negative MVG was significantly depressed both in HHD (-3.9+/-1.3/s, p indices failed to distinguish DCM from normal due to the pseudonormalization. Transmitral flow velocity indices were significantly altered (peak early/late diastolic filling velocity [E/A]=1.1+/-0.5 to 1.5+/-0.7, p indicator of LV diastolic function that is less affected by preload alterations than the transmitral flow velocity indices, and thereby could be used for the follow-up of patients with nonischemic LV dysfunction presenting congestive heart failure.

  15. Divergence of dominant factors in soil microbial communities and functions in forest ecosystems along a climatic gradient

    Science.gov (United States)

    Xu, Zhiwei; Yu, Guirui; Zhang, Xinyu; He, Nianpeng; Wang, Qiufeng; Wang, Shengzhong; Xu, Xiaofeng; Wang, Ruili; Zhao, Ning

    2018-03-01

    Soil microorganisms play an important role in regulating nutrient cycling in terrestrial ecosystems. Most of the studies conducted thus far have been confined to a single forest biome or have focused on one or two controlling factors, and few have dealt with the integrated effects of climate, vegetation, and soil substrate availability on soil microbial communities and functions among different forests. In this study, we used phospholipid-derived fatty acid (PLFA) analysis to investigate soil microbial community structure and extracellular enzymatic activities to evaluate the functional potential of soil microbes of different types of forests in three different climatic zones along the north-south transect in eastern China (NSTEC). Both climate and forest type had significant effects on soil enzyme activities and microbial communities with considerable interactive effects. Except for soil acid phosphatase (AP), the other three enzyme activities were much higher in the warm temperate zone than in the temperate and the subtropical climate zones. The soil total PLFAs and bacteria were much higher in the temperate zone than in the warm temperate and the subtropical zones. The soil β-glucosidase (BG) and N-acetylglucosaminidase (NAG) activities were highest in the coniferous forest. Except for the soil fungi and fungi-bacteria (F/B), the different groups of microbial PLFAs were much higher in the conifer broad-leaved mixed forests than in the coniferous forests and the broad-leaved forests. In general, soil enzyme activities and microbial PLFAs were higher in primary forests than in secondary forests in temperate and warm temperate regions. In the subtropical region, soil enzyme activities were lower in the primary forests than in the secondary forests and microbial PLFAs did not differ significantly between primary and secondary forests. Different compositions of the tree species may cause variations in soil microbial communities and enzyme activities. Our results

  16. Networks of soil biota in a secondary succession gradient: Is it biodiversity or network structure that determines soil function?

    Science.gov (United States)

    Morriën, Elly; Hannula, Emilia; Snoek, Basten; Hol, Gera; van Veen, Hans; van der Putten, Wim

    2017-04-01

    Land abandonment is considered an effective tool for restoring biodiversity and ecosystem functions. However, thus far little attention is given to the role of soil biodiversity. Here, we present results of a soil biodiversity development and ecosystem functioning from a chonosequence of ex-arable fields in The Netherlands. These fields are typically managed by low-intensive grazing while undergoing a transition from an arable system into a species-rich grassland. We manipulated soil biodiversity to be able to couple biodiversity loss to loss of soil functions. We hypothesized that biodiversity loss would lead to less N uptake by plants and slower C transfer to microbes. A greenhouse mesocosm experiment was performed in which sterilized soils from the chronosequence were re-inoculated with a dilution series of soil suspensions (filtered to include only bacteria, fungi and protozoa) to manipulate soil diversity. These mesocosms were planted with a community of plants that naturally occur in all of the grasslands along the chronosequence. We measured microbial community development with TRFLP and sequencing, plant C, N and biomass and using dual labelled 15N ammonium nitrate (15NH415NO3) and 13C in the form of 13CO2 fed to the plants to assess the short term fate, turnover and retention of recent plant assimilated carbon and nitrogen in soil. The faith of the C and N were followed by sequential sampling of aboveground and belowground plant tissues and soil bacterial and fungal PLFA and NLFA biomarkers. With the first method the role of microbial diversity and soil on plant carbon assimilation and nitrogen uptake was evaluated. This was further related to the amount of recently photosynthesized carbon plants allocated to different microbial groups in soils. Microbial end-communities were pyrosequenced to evaluate the end diversity. In this study we showed the effects of the loss of soil biodiversity to C and N cycling in plants and microbes. Next to this manipulative

  17. Modelling of functionally graded materials by numerical homogenization

    Energy Technology Data Exchange (ETDEWEB)

    Schmauder, S.; Weber, U. [Stuttgart Univ. (Germany). Staatliche Materialpruefungsanstalt

    2001-03-01

    In this contribution, the mechanical behaviour of different ZrO{sub 2}/NiCr 80 20 compositions is analysed and compared with experimental findings. The microwave-sintered material is found to possess a slightly dominant ceramic matrix for intermediate volume fractions. Its thermal expansion coefficient deviates from the rule of mixture. The modulus and the stress strain behaviour can be simulated by a numerical homogenization procedure, and the influence of residual stresses is found to be negligible. A newly introduced parameter (matricity) describes the mutual circumvention of the phases and is found to strongly control the stress level of the composite, globally as well as locally. Finally, a graded component and a metal/ceramic bi-material are compared for thermal as well as mechanical loading. (orig.)

  18. Coating and Patterning Functional Materials for Large Area Electrofluidic Arrays

    Directory of Open Access Journals (Sweden)

    Hao Wu

    2016-08-01

    Full Text Available Industrialization of electrofluidic devices requires both high performance coating laminates and efficient material utilization on large area substrates. Here we show that screen printing can be effectively used to provide homogeneous pin-hole free patterned amorphous fluoropolymer dielectric layers to provide both the insulating and fluidic reversibility required for devices. Subsequently, we over-coat photoresist using slit coating on this normally extremely hydrophobic layer. In this way, we are able to pattern the photoresist by conventional lithography to provide the chemical contrast required for liquids dosing by self-assembly and highly-reversible electrofluidic switching. Materials, interfacial chemistry, and processing all contribute to the provision of the required engineered substrate properties. Coating homogeneity as characterized by metrology and device performance data are used to validate the methodology, which is well-suited for transfer to high volume production in existing LCD cell-making facilities.

  19. Enhanced Functionality for Materials Analysis in the DTEM

    International Nuclear Information System (INIS)

    Nigel D. Browning

    2008-01-01

    The recent explosion in the use of pump-probe studies on the picosecond timescale to investigate structural and electronic phase transitions and the dynamics of chemical reactions has been based largely on laser-induced reactions coupled with laser interrogation techniques, or on laser induced reactions coupled with synchrotron radiation interrogation techniques. Much less attention has been given to approaches based on laser-induced (or electron-beam-induced) reactions coupled with electron interrogation methods, despite the fact that electron sources are brighter, and their interactions with matter stronger (thereby giving higher signal levels). The use of electrons as probes has great potential to study complex transient events not only because of the possible high temporal resolution using ultrafast electron diffraction (UED) but also the potential for high spatial resolution using dynamic transmission electron microscopy (DTEM). Taking this potential of electron interrogation methods and turning it into a routine nanoscale characterization technique requires several key aspects of the instrumentation used for electron microscopy/diffraction to be optimized. In this proposal, several approaches to instrument optimization for DTEM and UED (to be performed in the same instrument) will be addressed. The new instrumentation developments will be used to study the dynamics of strongly driven materials, aging and corrosion in structural materials, as well as the nanoscale structural properties of other materials systems. In addition to providing new instrument capabilities (the technology for which will be transferred to the DTEM at Lawrence Livermore National Laboratory (LLNL)) and fundamental insights into the dynamic properties of materials, the interaction between 3 universities (University of California-Davis, University of Illinois at Chicago and Arizona State University) and 2 national laboratories (LLNL and Sandia National Laboratory) will help train the next

  20. Introducing Magneto-Optical Functions into Soft Materials

    Science.gov (United States)

    2017-05-03

    including organic and bio materials by using magnetic nanomaterials. This final report includes the successful developments of magneto-optical... successful developments of magneto-optical properties in both organic and bio magnetic nanocomposites during the project period of three years...proteins on the photoluminescence of nanodiamond. J. Appl . Phys. 2011, 109 (3), 034704. 7, Xu, H.; Hung, C.E.; Cheng, C.L.; Hu, B., Magneto-electric

  1. Enhanced Functionality for Materials Analysis in the DTEM

    Energy Technology Data Exchange (ETDEWEB)

    Nigel D. Browning

    2008-04-28

    The recent explosion in the use of pump–probe studies on the picosecond timescale to investigate structural and electronic phase transitions and the dynamics of chemical reactions has been based largely on laser–induced reactions coupled with laser interrogation techniques, or on laser induced reactions coupled with synchrotron radiation interrogation techniques. Much less attention has been given to approaches based on laser–induced (or electron–beam–induced) reactions coupled with electron interrogation methods, despite the fact that electron sources are brighter, and their interactions with matter stronger (thereby giving higher signal levels). The use of electrons as probes has great potential to study complex transient events not only because of the possible high temporal resolution using ultrafast electron diffraction (UED) but also the potential for high spatial resolution using dynamic transmission electron microscopy (DTEM). Taking this potential of electron interrogation methods and turning it into a routine nanoscale characterization technique requires several key aspects of the instrumentation used for electron microscopy/diffraction to be optimized. In this proposal, several approaches to instrument optimization for DTEM and UED (to be performed in the same instrument) will be addressed. The new instrumentation developments will be used to study the dynamics of strongly driven materials, aging and corrosion in structural materials, as well as the nanoscale structural properties of other materials systems. In addition to providing new instrument capabilities (the technology for which will be transferred to the DTEM at Lawrence Livermore National Laboratory (LLNL)) and fundamental insights into the dynamic properties of materials, the interaction between 3 universities (University of California-Davis, University of Illinois at Chicago and Arizona State University) and 2 national laboratories (LLNL and Sandia National Laboratory) will help train

  2. Functional living biointerfaces to direct cell-material interaction

    OpenAIRE

    Rodrigo Navarro, Aleixandre

    2016-01-01

    [EN] This thesis deals with the development of a living biointerface between synthetic substrates and living cells to engineer cell-material interactions for tissue engineering purposes. This living biointerface is made of Lactococcus lactis, a non-pathogenic lactic bacteria widely used as starter in the dairy industry and, recently, in the expression of heterologous proteins in applications such as oral vaccine delivery or membrane-bound expression of proteins. L. lactis has been engine...

  3. Spatial variations in drainage efficiency in a boreal wetland environment as a function of lidar and radar-derived deviations from the regional hydraulic gradient

    Science.gov (United States)

    Hopkinson, C.; Brisco, B.; Chasmer, L.; Devito, K.; Montgomery, J. S.; Patterson, S.; Petrone, R. M.

    2017-12-01

    The dense forest cover of the Western Boreal Plains of northern Alberta is underlain by a mix of glacial moraines, sandy outwash sediments and clay plains possessing spatially variable hydraulic conductivities. The region is also characterised by a large number of post-glacial surface depression wetlands that have seasonally and topographically limited surface connectivity. Consequently, drainage along shallow regional hydraulic gradients may be dominated either by variations in surface geology or local variations in Et. Long-term government lake level monitoring is sparse in this region, but over a decade of hydrometeorological monitoring has taken place around the Utikuma Regional Study Area (URSA), a research site led by the University of Alberta. In situ lake and ground water level data are here combined with time series of airborne lidar and RadarSat II synthetic aperture radar (SAR) data to assess the spatial variability of water levels during late summer period characterised by flow recession. Long term Lidar data were collected or obtained by the authors in August of 2002, 2008, 2011 and 2016, while seasonal SAR data were captured approximately every 24 days during the summers of 2015, 2016 and 2017. Water levels for wetlands exceeding 100m2 in area across a north-trending 20km x 5km topographic gradient north of Utikuma Lake were extracted directly from the lidar and indirectly from the SAR. The recent seasonal variability in spatial water levels was extracted from SAR, while the lidar data illustrated more long term trends associated with land use and riparian vegetation succession. All water level data collected in August were combined and averaged at multiple scales using a raster focal statistics function to generate a long term spatial map of the regional hydraulic gradient and scale-dependent variations. Areas of indicated high and low drainage efficiency were overlain onto layers of landcover and surface geology to ascertain causal relationships

  4. Variations in erosive wear of metallic materials with temperature via the electron work function

    International Nuclear Information System (INIS)

    Huang, Xiaochen; Yu, Bin; Yan, X.G.; Li, D.Y.

    2016-01-01

    Mechanical properties of metals are intrinsically determined by their electron behavior, which is largely reflected by the electron work function (EWF or φ). Since the work function varies with temperature, the dependence of material properties on temperature could be predicted via variations in work function with temperature. Combining a hardness – φ relationship and the dependence of work function on temperature, a temperature-dependent model for predicting solid-particle erosion is proposed. Erosive wear losses of copper, nickel, and carbon steel as sample materials were measured at different temperatures. Results of the tests are consistent with the theoretical prediction. This study demonstrates a promising parameter, electron work function, for looking into fundamental aspects of wear phenomena, which would also help develop alternative methodologies for material design. - Highlights: • Metallic materials' wear resistance is influenced by temperature. • Electron work function (EWF) intrinsically determines materials' wear resistance. • An EWF-based temperature-dependent solid-particle erosion model is proposed.

  5. Micro-/nanostructured multicomponent molecular materials: design, assembly, and functionality.

    Science.gov (United States)

    Yan, Dongpeng

    2015-03-23

    Molecule-based micro-/nanomaterials have attracted considerable attention because their properties can vary greatly from the corresponding macro-sized bulk systems. Recently, the construction of multicomponent molecular solids based on crystal engineering principles has emerged as a promising alternative way to develop micro-/nanomaterials. Unlike single-component materials, the resulting multicomponent systems offer the advantages of tunable composition, and adjustable molecular arrangement, and intermolecular interactions within their solid states. The study of these materials also supplies insight into how the crystal structure, molecular components, and micro-/nanoscale effects can influence the performance of molecular materials. In this review, we describe recent advances and current directions in the assembly and applications of crystalline multicomponent micro-/nanostructures. Firstly, the design strategies for multicomponent systems based on molecular recognition and crystal engineering principles are introduced. Attention is then focused on the methods of fabrication of low-dimensional multicomponent micro-/nanostructures. Their new applications are also outlined. Finally, we briefly discuss perspectives for the further development of these molecular crystalline micro-/nanomaterials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Radiation crosslinking of polymer materials and its functional properties

    International Nuclear Information System (INIS)

    Yoshii, Fumio

    2006-01-01

    It was found out that radiation crosslinking of biodegradable polymer such as poly (butylene succinate, PBS) and poly(ε-caprolactone, PCL) could be achieved by radiation in the presence of small amount of trimethallyl isocyanurate (TMAIC) or 1% triallyl isocyanurate (TAIC). Such modification is very effective to improve heat resistance for PBS and PCL. Poly (lactic acid, PLA) undergoes crosslinking effectively with 3% TAIC by radiation. Outstanding feature of these polymers is their biodegradability even after crosslinking. Radiation crosslinking of polysaccharide derivatives such as carboxymethyl-cellulose (CMC) is also achieved in aqueous solution at high concentration (paste-like state). The crosslinking behavior was largely affected by the degree of substitution (DS) and polymer concentration. After removal of water the dry CMC gel is used as water absorbent material. This dry gel is the most effective for removal of large amounts of water from organic wastes, resulting in the acceleration of their fermentation. Measurement of swelling ratio of the dry CMC gel in 0.9% NaCl aqueous solution was carried out to expand application fields for this material. Radiation crosslinked poly (vinyl alcohol) hydrogel was successfully commercialized from July 2004 as wound dressing for accelerated healing. Furthermore, this material was also used as gel protector to prevent shore sore and was further commercialized. (author)

  7. Nano Enabled Thermo-Mechanical Materials in Adhesive Joints: A New Paradigm to Materials Functionality (Preprint)

    National Research Council Canada - National Science Library

    Roy, Ajit K; Ganguli, Sabyasachi; Sihn, Sangwook; Qu, Liangti; Dai, Liming

    2006-01-01

    One of the barriers in achieving adequate through-thickness thermal conductivity in composite materials and also in composite joints is the extremely low thermal conductivity of resins (polymer) or adhesives (typically 0.3 W/mK...

  8. Size structure of marine soft-bottom macrobenthic communities across natural habitat gradients: implications for productivity and ecosystem function.

    Directory of Open Access Journals (Sweden)

    Tara A Macdonald

    Full Text Available Size distributions of biotic assemblages are important modifiers of productivity and function in marine sediments. We investigated the distribution of proportional organic biomass among logarithmic size classes (2(-6J to 2(16J in the soft-bottom macrofaunal communities of the Strait of Georgia, Salish Sea on the west coast of Canada. The study examines how size structure is influenced by 3 fundamental habitat descriptors: depth, sediment percent fines, and organic flux (modified by quality. These habitat variables are uncorrelated in this hydrographically diverse area, thus we examine their effects in combination and separately. Cluster analyses and cumulative biomass size spectra reveal clear and significant responses to each separate habitat variable. When combined, habitat factors result in three distinct assemblages: (1 communities with a high proportion of biomass in small organisms, typical of shallow areas (3 g C/m(2/yr/δ(15N from the Fraser River; and (3 communities with biomass dominated by moderately large organisms, but lacking the smallest and largest size classes, typical of deep, fine sediments experiencing low modified organic flux (<3.0 gC/m(2/yr/δ(15N. The remaining assemblages had intermediate habitat types and size structures. Sediment percent fines and flux appear to elicit threshold responses in size structure, whereas depth has the most linear influence on community size structure. The ecological implications of size structure in the Strait of Georgia relative to environmental conditions, secondary production and sediment bioturbation are discussed.

  9. Orientation of Al3Ti platelets in Al-Al3Ti functionally graded material manufactured by centrifugal method

    International Nuclear Information System (INIS)

    Watanabe, Y.; Fukui, Y.

    1997-01-01

    Al-Al 3 Ti functionally graded materials (FGMs) were manufactured by the centrifugal method with a commercial ingot of Al-5 mass% Ti master alloy. The alloy was melted at a liquid/solid coexisting temperature, at which Al 3 Ti remains as a solid, and then it was cast into a thick-walled ring. It was found that the Al-Al 3 Ti functionally graded material can be successfully fabricated by the centrifugal method. It was also found that the volume fraction of the Al 3 Ti can be increased by repetition of the centrifugal method. Since the shape of Al 3 Ti particles in a commercial alloy ingot is that of a platelet, the Al 3 Ti particles are arranged with their platelet planes nearly perpendicular to the radial direction. The orientation effects become stronger when the G number becomes larger. Although the final centrifugal casting was conducted under a very large centrifugal force for the specimen cast three times, the orientation effects were weaker than those in the specimen cast one time. From these observations, it is concluded that the origin of orientation of Al 3 Ti platelets can be attributed to the angular velocity gradient of the melt along the radial direction produced by the difference in the viscosity. (orig.)

  10. Thermoelastic Theory for the Response of Materials Functionally Graded in Two Directions with Applications to the Free-Edge Problem

    Science.gov (United States)

    Aboudi, Jacob; Pindera, Marek-Jerzy; Arnold, Steven M.

    1995-01-01

    A recently developed micromechanical theory for the thermoelastic response of functionally graded composites with nonuniform fiber spacing in the through-thickness direction is further extended to enable analysis of material architectures characterized by arbitrarily nonuniform fiber spacing in two directions. In contrast to currently employed micromechanical approaches applied to functionally graded materials, which decouple the local and global effects by assuming the existence of a representative volume element at every point within the composite, the new theory explicitly couples the local and global effects. The analytical development is based on volumetric averaging of the various field quantities, together with imposition of boundary and interfacial conditions in an average sense. Results are presented that illustrate the capability of the derived theory to capture local stress gradients at the free edge of a laminated composite plate due to the application of a uniform temperature change. It is further shown that it is possible to reduce the magnitude of these stress concentrations by a proper management of the microstructure of the composite plies near the free edge. Thus by an appropriate tailoring of the microstructure it is possible to reduce or prevent the likelihood of delamination at free edges of standard composite laminates.

  11. Negative thermal expansion in functional materials: controllable thermal expansion by chemical modifications.

    Science.gov (United States)

    Chen, Jun; Hu, Lei; Deng, Jinxia; Xing, Xianran

    2015-06-07

    Negative thermal expansion (NTE) is an intriguing physical property of solids, which is a consequence of a complex interplay among the lattice, phonons, and electrons. Interestingly, a large number of NTE materials have been found in various types of functional materials. In the last two decades good progress has been achieved to discover new phenomena and mechanisms of NTE. In the present review article, NTE is reviewed in functional materials of ferroelectrics, magnetics, multiferroics, superconductors, temperature-induced electron configuration change and so on. Zero thermal expansion (ZTE) of functional materials is emphasized due to the importance for practical applications. The NTE functional materials present a general physical picture to reveal a strong coupling role between physical properties and NTE. There is a general nature of NTE for both ferroelectrics and magnetics, in which NTE is determined by either ferroelectric order or magnetic one. In NTE functional materials, a multi-way to control thermal expansion can be established through the coupling roles of ferroelectricity-NTE, magnetism-NTE, change of electron configuration-NTE, open-framework-NTE, and so on. Chemical modification has been proved to be an effective method to control thermal expansion. Finally, challenges and questions are discussed for the development of NTE materials. There remains a challenge to discover a "perfect" NTE material for each specific application for chemists. The future studies on NTE functional materials will definitely promote the development of NTE materials.

  12. Functionally Graded Materials by Laser Metal Deposition (PREPRINT)

    Science.gov (United States)

    2010-03-01

    composition of Fe-82 wt% V (powder-1) and Inconel - 625 (powder-2) powders are listed in Table 1. The substrate materials used for the experiment were cold...like laser power, travel speed and powder feed rate is yet to be determined to obtain a successful FGM. Inconel - 625 deposits showed macro-cracks...Composition (wt%) Powder-1: Fe-82 wt% V V (82), Al (0.68), Si (0.9), C (0.07), S (0.01), P (0.02), Fe (18) Powder-2: Inconel - 625 Ni (58), Cr (20-23

  13. Neutron scattering studies of eco-friendly functional materials

    International Nuclear Information System (INIS)

    Mishra, S.K.; Gupta, M.K.; Mittal, R.; Krishna, P.S.R.; Chaplot, S.L.

    2016-01-01

    Niobate based materials are environment friendly and appropriate for wide piezoelectric applications due to their piezo-response that is comparable to Pb(Zr Ti)O_3 beyond the technological application, NaNbO_3 has been a rich model system for understanding of mechanisms of structural phase transitions when subject to changes in thermodynamical conditions like: temperature, pressure, and/or composition, particle size and external stimuli like electric/magnetic field etc. In the present work, we report systematic investigation of structural phase transitions with variations in temperature, external pressure and chemical pressure (via compositional modification) using the neutron scattering technique. (author)

  14. Functional materials derived from block copolymer self-assembly

    DEFF Research Database (Denmark)

    Li, Tao

    deposition methods, namely nanocasting and atomic layer deposition (ALD) will be applied to fabricate compact, inter-connected, and continuous metal oxide films. In this way, the structure integrity will be preserved after template removal during the annealing procedure. Another objective of this project......-casting, the block copolymer self-organizes into monolayer packed sphere pattern, without any surface treatment of the substrate and annealing process. Arrays of nano-pillars and nanowells of various materials are fabricated in dry etch processes over wafer scale without defects. We also show an in situ Al2O3 hard...

  15. Functional organic materials based on polymerized liquid-crystal monomers: supramolecular hydrogen-bonded systems

    NARCIS (Netherlands)

    Broer, D.J.; Bastiaansen, C.W.M.; Debije, M.G.; Schenning, A.P.H.J.

    2012-01-01

    Functional organic materials are of great interest for a variety of applications. To obtain precise functional properties, well-defined hierarchically ordered supramolecular materials are crucial. The self-assembly of liquid crystals has proven to be an extremely useful tool in the development of

  16. Sub-50 nm Scale to Micrometer Scale Soft Lithographic Patterning of Functional Materials

    NARCIS (Netherlands)

    George, A.

    2011-01-01

    This PhD thesis addresses two major issues: 1) Fabricating nanometer-scale patterns of functional materials, 2) Extending the applicability of soft lithographic processes to a wide range of functional materials on conventional silicon substrates and flexible plastic substrates. This thesis describes

  17. Chemical Functionalization, Self-Assembly, and Applications of Nano materials and Nano composites 2014

    International Nuclear Information System (INIS)

    Yan, X.; Jiao, T.; Balan, L.; Chen, X.; Hu, M.Z.; Liu, W.

    2014-01-01

    The growing interests in nano materials and nano composites call for the development of processing techniques to obtain multiple functionalization nano structures and achieve the tailoring of specific features of the nanometer size. Functional nano materials and nano composites will expand the applied range of the original material and at the same time promote the development of inter discipline. Thus, the chemical functionalization and bottom-up assemblies of nano materials and subsequent applications will accelerate the development of nano science and nano technology.

  18. SANITY OF CORN GRAINS AS A FUNCTION OF GENETIC MATERIAL

    Directory of Open Access Journals (Sweden)

    L. F. Oliveira

    2018-02-01

    Full Text Available Diseases that occur in corn crops can cause great losses to farmers and consumers of its product and derivatives. So, was evaluated the sanity of maize grains in different genetic materials. The grains used were obtained from the crop of 2014/2015 on a farm in the city of Sorriso, State of Mato Grosso. For this, grain samples were collected from hybrids P3630H, 30F53YH, P2830H, and P3844H. The standard test ("Blotter Test" allowed noticing the incidence of Aspergillus sp., Fusarium sp. and Penicillium sp. Data were submitted to analysis of variance and Scott-Knott test at 5% probability. In treatments with the resistant genetic material the genus with the highest incidence was Penicillium sp. (82%, followed by Fusarium sp. (68.75% and Aspergillus sp. (15.25%. The hybrid with the lower incidence of Fusarium sp. was P2830H (59%. The hybrid with greater resistance to Aspergillus sp. and Penicillium sp. was P3844H (5 and 55%, respectively. The most susceptible hybrid to pathogens Aspergillus sp., Fusarium sp. and Penicillium sp. was 30F53YH (37, 79 and 94%, respectively. For the better sanitary quality of grains, based on the observed data, it is recommended to use the hybrid P2830H

  19. Local Area Network Material Accounting System (LANMAS) Functions and Features Overview

    International Nuclear Information System (INIS)

    Robichaux, J.J.

    1998-07-01

    The Local Area Network Material Accounting System (LANMAS) application is a standardized approach to comply with the DOE Order 5633.3B, control and Accountability of Nuclear Material, material accounting requirements. This paper provides a general overview of the functions and features included in the LANMAS application

  20. Novel Functionalized Carbon Nanotube Supercapacitor Materials: Contribution to the Supercapacitor TIF

    Science.gov (United States)

    2014-08-01

    which are effectively the dielectric material . Thus, each electrode of a supercapacitor is in essence a conventional capacitor, and in full cell, the...promise as supercapacitor electrode materials . SWNTs, which exist in bundles of ropes, exhibit very large surface area (~1300 m2/g) [2]. Effective...Novel functionalized carbon nanotube supercapacitor materials Contribution to the supercapacitor TIF Trisha Huber

  1. Rising U.S. income inequality and the changing gradient of socioeconomic status on physical functioning and activity limitations, 1984-2007.

    Science.gov (United States)

    Zheng, Hui; George, Linda K

    2012-12-01

    This study examines the interactive contextual effect of income inequality on health. Specifically, we hypothesize that income inequality will moderate the relationships between individual-level risk factors and health. Using National Health Interview Survey data 1984-2007 (n = 607,959) and U.S. Census data, this paper estimates the effect of the dramatic increase in income inequality in the U.S. over the past two decades on the gradient of socioeconomic status on two measures of health (i.e., physical functioning and activity limitations). Results indicate that increasing income inequality strengthens the protective effects of family income, employment, college education, and marriage on these two measures of health. In contrast, high school education's protective effect (relative to less than a high school education) weakens in the context of increasing income inequality. In addition, we find that increasing income inequality exacerbates men's disadvantages in physical functioning and activity limitations. These findings shed light on research about growing health disparities in the U.S. in the last several decades. Copyright © 2012 Elsevier Ltd. All rights reserved.

  2. Age and gender specific normal values of left ventricular mass, volume and function for gradient echo magnetic resonance imaging: a cross sectional study

    Directory of Open Access Journals (Sweden)

    Allansdotter-Johnsson Ase

    2009-01-01

    Full Text Available Abstract Background Knowledge about age-specific normal values for left ventricular mass (LVM, end-diastolic volume (EDV, end-systolic volume (ESV, stroke volume (SV and ejection fraction (EF by cardiac magnetic resonance imaging (CMR is of importance to differentiate between health and disease and to assess the severity of disease. The aims of the study were to determine age and gender specific normal reference values and to explore the normal physiological variation of these parameters from adolescence to late adulthood, in a cross sectional study. Methods Gradient echo CMR was performed at 1.5 T in 96 healthy volunteers (11–81 years, 50 male. Gender-specific analysis of parameters was undertaken in both absolute values and adjusted for body surface area (BSA. Results Age and gender specific normal ranges for LV volumes, mass and function are presented from the second through the eighth decade of life. LVM, ESV and EDV rose during adolescence and declined in adulthood. SV and EF decreased with age. Compared to adult females, adult males had higher BSA-adjusted values of EDV (p = 0.006 and ESV (p Conclusion LV volumes, mass and function vary over a broad age range in healthy individuals. LV volumes and mass both rise in adolescence and decline with age. EF showed a rapid decline in adolescence compared to changes throughout adulthood. These findings demonstrate the need for age and gender specific normal ranges for clinical use.

  3. Analysis of viscoplastic plates with material degradation using influence functions

    International Nuclear Information System (INIS)

    Fotiu, P.; Irschik, H.

    1987-01-01

    Influence functions are well-known from the computational analysis of linear elastic plates. For inelastic plates, unfortunately, this convenient Green's function method does not apply in its classical sense, because superposition of imposed loadings is not possible. However, following a complete elastic-inelastic analogy for small deflections of beams and plates, the inelastic part of strain may be treated as an additional source of self-stress in the linear elastic structure with fixed (initial) stiffness. Hence, the inelastic plate is analogous to the linear elastic one, but subjected to the imposed loadings as well as to fictitious additional sources of self-stress, likewise to a given thermal loading. (orig./GL)

  4. Application of Patterson-function direct methods to materials characterization.

    Science.gov (United States)

    Rius, Jordi

    2014-09-01

    The aim of this article is a general description of the so-called Patterson-function direct methods (PFDM), from their origin to their present state. It covers a 20-year period of methodological contributions to crystal structure solution, most of them published in Acta Crystallographica Section A. The common feature of these variants of direct methods is the introduction of the experimental intensities in the form of the Fourier coefficients of origin-free Patterson-type functions, which allows the active use of both strong and weak reflections. The different optimization algorithms are discussed and their performances compared. This review focuses not only on those PFDM applications related to powder diffraction data but also on some recent results obtained with electron diffraction tomography data.

  5. Application of Patterson-function direct methods to materials characterization

    Directory of Open Access Journals (Sweden)

    Jordi Rius

    2014-09-01

    Full Text Available The aim of this article is a general description of the so-called Patterson-function direct methods (PFDM, from their origin to their present state. It covers a 20-year period of methodological contributions to crystal structure solution, most of them published in Acta Crystallographica Section A. The common feature of these variants of direct methods is the introduction of the experimental intensities in the form of the Fourier coefficients of origin-free Patterson-type functions, which allows the active use of both strong and weak reflections. The different optimization algorithms are discussed and their performances compared. This review focuses not only on those PFDM applications related to powder diffraction data but also on some recent results obtained with electron diffraction tomography data.

  6. Status of development of functional materials with perspective on beyond ITER

    International Nuclear Information System (INIS)

    Shikama, T.; Knitter, R.; Moeslang, A.; Konys, J.; Deli, L.; Muroga, T.; Kawamura, H.; Kohyama, A.

    2007-01-01

    Any engineering system is composed of functional materials as well as of structural materials, and more advanced systems tend to demand a more important and versatile role to functional materials. In nuclear fusion systems, examples of principle functional materials will be breeders and neutron multipliers for tritium production, coatings on structural materials for corrosion-resistance, MHD-loss-reduction and control of tritium permeation, thermal insertions for heat transport control, and optical and electrical materials for plasma and environmental diagnostics. For incarnation of a nuclear fusion power plant, namely DEMO, development of the functional materials with appropriate properties is essential. A role of functional materials depends strongly on a specific design of DEMO, namely designs of systems for tritium-breeding, system-cooling and heat-transfer. In the framework of ITER project, development of tritium blanket modules (TBM) is underway. Also, in parallel with the ITER project, a complemental program called the BA (Broader Approach) is launched for realization of a DEMO nuclear fusion reactor in an appropriate time schedule, where key issues of the nuclear fusion engineering needed for the DEMO will be studied under EU/Japan collaboration. In the meantime, technologies and materials needed for diagnostics and control of burning plasma are extensively discussed under the framework of International Tokamak Physics Activity (ITPA). The present paper reviews a present status of development of functional materials from views of internationally coordinated activities based on fundamental aspects of the DEMO demands as well as from views of activities based on specific but currently dominant DEMO designs. Examples of functional materials reviewed here are solid breeders, beryllium and beryllium alloys, coating layers on structural materials, thermal inserts, and some electrical and optical materials. (orig.)

  7. 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

  8. Electron work function-a promising guiding parameter for material design.

    Science.gov (United States)

    Lu, Hao; Liu, Ziran; Yan, Xianguo; Li, Dongyang; Parent, Leo; Tian, Harry

    2016-04-14

    Using nickel added X70 steel as a sample material, we demonstrate that electron work function (EWF), which largely reflects the electron behavior of materials, could be used as a guide parameter for material modification or design. Adding Ni having a higher electron work function to X70 steel brings more "free" electrons to the steel, leading to increased overall work function, accompanied with enhanced e(-)-nuclei interactions or higher atomic bond strength. Young's modulus and hardness increase correspondingly. However, the free electron density and work function decrease as the Ni content is continuously increased, accompanied with the formation of a second phase, FeNi3, which is softer with a lower work function. The decrease in the overall work function corresponds to deterioration of the mechanical strength of the steel. It is expected that EWF, a simple but fundamental parameter, may lead to new methodologies or supplementary approaches for metallic materials design or tailoring on a feasible electronic base.

  9. Postpolymerization Modifications of Alkene-Functional Polycarbonates for the Development of Advanced Materials Biomaterials.

    Science.gov (United States)

    Thomas, Anthony W; Dove, Andrew P

    2016-12-01

    Functional aliphatic polycarbonates have attracted significant attention as materials for use as biomedical polymers in recent years. The incorporation of pendent functionality offers a facile method of modifying materials postpolymerization, thus enabling functionalities not compatible with ring-opening polymerization (ROP) to be introduced into the polymer. In particular, polycarbonates bearing alkene-terminated functional groups have generated considerable interest as a result of their ease of synthesis, and the wide range of materials that can be obtained by performing simple postpolymerization modifications on this functionality, for example, through radical thiol-ene addition, Michael addition, and epoxidation reactions. This review presents an in-depth appraisal of the methods used to modify alkene-functional polycarbonates postpolymerization, and the diversity of practical applications for which these materials and their derivatives have been used. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Functional size analysis of bioactive materials by radiation inactivation

    International Nuclear Information System (INIS)

    Kume, Tamikazu

    1994-01-01

    When the research on various proteins including enzymes is carried out, first molecular weight is measured. The physical chemical methods used for measuring molecular weight cannot measure it in the state of actually acting in living bodies. Radiation inactivation method is the unique method which can measure the molecular weight of the active substances in living bodies. Paying attention to this point, recently it is attempted to measure the activity unit of enzymes, receptors and others, and to apply to the elucidation of their functions. In this report, the concept of the method of measuring molecular size based on radiation inactivation, the detailed experimental method and the points to which attention must be paid are described. Also its application to the elucidation of living body functions according to the example of the studies by the author is reported. The concept of the measurement of molecular weight by radiation inactivation is based on target theory. The preparation of samples, the effect of oxygen, radiation sources, dosimetry, irradiation temperature, internal standard process and so on are reported. The trend of the research is shown. (K.I.)

  11. Calculation of intensity factors using weight function theory for a transversely isotropic piezoelectric material

    International Nuclear Information System (INIS)

    Son, In Ho; An, Deuk Man

    2012-01-01

    In fracture mechanics, the weight function can be used for calculating stress intensity factors. In this paper, a two dimensional electroelastic analysis is performed on a transversely isotropic piezoelectric material with an open crack. A plane strain formulation of the piezoelectric problem is solved within the Leknitskii formalism. Weight function theory is extended to piezoelectric materials. The stress intensity factors and electric displacement intensity factor are calculated by the weight function theory

  12. Concepts on integration of physical protection and material accounting functions in a safeguards system

    International Nuclear Information System (INIS)

    Reynolds, D.A.

    1981-01-01

    Concepts on integration of physical protection and material accounting systems to enhance overall safeguards capability are developed and presented. These concepts identify ways in which material accounting systems can be used to enable effective monitoring of authorized movement of nuclear material through physical protection boundaries. Concepts are also discussed for monitoring user access to nuclear material and for tagging user identification to material accounting transactions through physical protection functions. These result in benefits in detecting diversion and in positively tracing material movement. Finally, coordination of safeguards information from both subsystems in such an integrated system through a safeguards coordination center is addressed with emphasis on appropriate response in case of discrepancies

  13. Functionalized mesoporous materials for adsorption and release of different drug molecules: A comparative study

    International Nuclear Information System (INIS)

    Wang Gang; Otuonye, Amy N.; Blair, Elizabeth A.; Denton, Kelley; Tao Zhimin; Asefa, Tewodros

    2009-01-01

    The adsorption capacity and release properties of mesoporous materials for drug molecules can be improved by functionalizing their surfaces with judiciously chosen organic groups. Functionalized ordered mesoporous materials containing various types of organic groups via a co-condensation synthetic method from 15% organosilane and by post-grafting organosilanes onto a pre-made mesoporous silica were synthesized. Comparative studies of their adsorption and release properties for various model drug molecules were then conducted. Functional groups including 3-aminopropyl, 3-mercaptopropyl, vinyl, and secondary amine groups were used to functionalize the mesoporous materials while rhodamine 6G and ibuprofen were utilized to investigate the materials' relative adsorption and release properties. The self-assembly of the mesoporous materials was carried out in the presence of cetyltrimethylammonium bromide (CTAB) surfactant, which produced MCM-41 type materials with pore diameters of ∼2.7-3.3 nm and moderate to high surface areas up to ∼1000 m 2 /g. The different functional groups introduced into the materials dictated their adsorption capacity and release properties. While mercaptopropyl and vinyl functionalized samples showed high adsorption capacity for rhodamine 6G, amine functionalized samples exhibited higher adsorption capacity for ibuprofen. While the diffusional release of ibuprofen was fitted on the Fickian diffusion model, the release of rhodamine 6G followed Super Case-II transport model. - Graphical abstract: The adsorption capacity and release properties of mesoporous materials for various drug molecules are tuned by functionalizing the surfaces of the materials with judiciously chosen organic groups. This work reports comparative studies of the adsorption and release properties of functionalized ordered mesoporous materials containing different hydrophobic and hydrophilic groups that are synthesized via a co-condensation and post-grafting methods for

  14. Evaluation of van der Waals density functionals for layered materials

    Science.gov (United States)

    Tawfik, Sherif Abdulkader; Gould, Tim; Stampfl, Catherine; Ford, Michael J.

    2018-03-01

    In 2012, Björkman et al. posed the question "Are we van der Waals ready?" [T. Björkman et al., J. Phys.: Condens. Matter 24, 424218 (2012), 10.1088/0953-8984/24/42/424218] about the ability of ab initio modeling to reproduce van der Waals (vdW) dispersion forces in layered materials. The answer at that time was no, however. Here we report on a new generation of vdW dispersion models and show that one, i.e., the fractionally ionic atom theory with many-body dispersions, offers close to quantitative predictions for layered structures. Furthermore, it does so from a qualitatively correct picture of dispersion forces. Other methods, such as D3 and optB88vdW, also work well, albeit with some exceptions. We thus argue that we are nearly vdW ready and that some modern dispersion methods are accurate enough to be used for nanomaterial prediction, albeit with some caution required.

  15. Biomass derived novel functional foamy materials - BIO-FOAM

    Energy Technology Data Exchange (ETDEWEB)

    Suurnaekki, A.; Boer, H.; Forssell, P. (and others) (VTT Technical Research Centre of Finland, Espoo (Finland)), Email: anna.suurnakki@vtt.fi

    2010-10-15

    BIO-FOAM has aimed at exploiting the potential of biomaterials in replacing synthetic polymers in solid foamy materials. The target applications have been various, including food, packaging, construction and insulation. The project activities during the second project year have focused on characterisation of the solid model foams and on modeling the behaviour of polymers at liquid- liquid interfaces. In the modelling study the intrinsic consistence of the applied thermodynamic approach was confirmed. The experimentally obtained solubility parameters of polymers were in good agreement with the calculated solubility parameters. The polymers were, however, found to posses too little surface activity to alone provide stable foams, but they were able to act as co-surfactants. In the model polymer foam work both expanded polymer foams and wood fibre based foams were prepared. Supercritical CO{sub 2}-gas chamber was found to be a useful tool to prepare expanded polymer foams in small scale. Only partial replacement of synthetic polymers could, however, be obtained with native biomaterials indicating the need of tailoring of biopolymer properties and suitable formulations including surfactants or stabilizing particles. In wood fibre-based foams both nanocellulose and lignin showed potential as additives or reinforcing components.The outcome of the extruded food snacks study was that the processing parameters were related with the equipmentvariables. Furthermore, glycerol was shown to facilitate greatly extrusion processing. In foam concrete work concrete pore structure was shown to correlate with its strength and stability. At optimum concentration wood fibres affected positively the concrete processing performance. (orig.)

  16. Development of biological functional material and product from Nelumbo nucifera

    International Nuclear Information System (INIS)

    Jeong, Il Yun; Park, Yong Dae; Jin, Chang Hyun; Choi, Dae Seong

    2008-01-01

    The solvent extracts of Nelumbo nucifera G. were investigated for the activities of antioxidant, whitening, anti-wrinkle and antimicrobial effects to apply as a functional ingredient for cosmetic products. The electron donating ability of irradiated NN-L extract was above 85% at the concentration of 50ppm. The superoxide dismutase(SOD)-like activity of irradiated NN-L extract was about 76% at 1,000ppm concentration. The xanthine oxidase inhibitory effect of irradiated NN-L extract was about 15% at 1,000ppm. The tyrosinase inhibitory effect of irradiated NN-L extract was about 18% at 1,000ppm. Anti-wrinkle effect, the elastase inhibition activity of irradiated NN-L extract was about 45% at 1,000ppm concentration. All these findings suggested that Nelumbo nucifera G. has a great potential as a cosmeceutical ingredient

  17. Development of biological functional material and product from Nelumbo nucifera

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Il Yun; Park, Yong Dae; Jin, Chang Hyun; Choi, Dae Seong

    2008-01-15

    The solvent extracts of Nelumbo nucifera G. were investigated for the activities of antioxidant, whitening, anti-wrinkle and antimicrobial effects to apply as a functional ingredient for cosmetic products. The electron donating ability of irradiated NN-L extract was above 85% at the concentration of 50ppm. The superoxide dismutase(SOD)-like activity of irradiated NN-L extract was about 76% at 1,000ppm concentration. The xanthine oxidase inhibitory effect of irradiated NN-L extract was about 15% at 1,000ppm. The tyrosinase inhibitory effect of irradiated NN-L extract was about 18% at 1,000ppm. Anti-wrinkle effect, the elastase inhibition activity of irradiated NN-L extract was about 45% at 1,000ppm concentration. All these findings suggested that Nelumbo nucifera G. has a great potential as a cosmeceutical ingredient.

  18. Strength gradient enhances fatigue resistance of steels

    Science.gov (United States)

    Ma, Zhiwei; Liu, Jiabin; Wang, Gang; Wang, Hongtao; Wei, Yujie; Gao, Huajian

    2016-02-01

    Steels are heavily used in infrastructure and the transportation industry, and enhancing their fatigue resistance is a major challenge in materials engineering. In this study, by introducing a gradient microstructure into 304 austenitic steel, which is one of the most widely used types of stainless steel, we show that a strength gradient substantially enhances the fatigue life of the material. Pre-notched samples with negative strength gradients in front of the notch’s tip endure many more fatigue cycles than do samples with positive strength gradients during the crack initiation stage, and samples with either type of gradient perform better than do gradient-free samples with the same average yield strength. However, as a crack grows, samples with positive strength gradients exhibit better resistance to fatigue crack propagation than do samples with negative gradients or no gradient. This study demonstrates a simple and promising strategy for using gradient structures to enhance the fatigue resistance of materials and complements related studies of strength and ductility.

  19. A TLBO based gradient descent learning-functional link higher order ANN: An efficient model for learning from non-linear data

    Directory of Open Access Journals (Sweden)

    Bighnaraj Naik

    2018-01-01

    Full Text Available All the higher order ANNs (HONNs including functional link ANN (FLANN are sensitive to random initialization of weight and rely on the learning algorithms adopted. Although a selection of efficient learning algorithms for HONNs helps to improve the performance, on the other hand, initialization of weights with optimized weights rather than random weights also play important roles on its efficiency. In this paper, the problem solving approach of the teaching learning based optimization (TLBO along with learning ability of the gradient descent learning (GDL is used to obtain the optimal set of weight of FLANN learning model. TLBO does not require any specific parameters rather it requires only some of the common independent parameters like number of populations, number of iterations and stopping criteria, thereby eliminating the intricacy in selection of algorithmic parameters for adjusting the set of weights of FLANN model. The proposed TLBO-FLANN is implemented in MATLAB and compared with GA-FLANN, PSO-FLANN and HS-FLANN. The TLBO-FLANN is tested on various 5-fold cross validated benchmark data sets from UCI machine learning repository and analyzed under the null-hypothesis by using Friedman test, Holm’s procedure and post hoc ANOVA statistical analysis (Tukey test & Dunnett test.

  20. Functional properties of composite material from recycled tires and polyurethane binder in water medium

    International Nuclear Information System (INIS)

    Plesuma, R.; Malers, L.

    2016-01-01

    The present research is as a continuation of the authors’ previous research of composite material and practical application of composite material largely connected with water. The aim of present study was to establish certain functional properties of the material in water medium. Water permeability, absorption and swelling of the composite material after being exposed to water for certain period were determined. Water absorption, permeability and swelling of the composite material showed close correlation with polymer reactivity. Molding pressure, temperature and the distribution of rubber particle sizes also demonstrate a direct influence on the water absorption and permeability of the composite material. The obtained results are useful for the practical application of selected composite material with desirable and predictable functional properties. (paper)

  1. Density functional theory and beyond-opportunities for quantum methods in materials modeling semiconductor technology

    International Nuclear Information System (INIS)

    Shankar, Sadasivan; Simka, Harsono; Haverty, Michael

    2008-01-01

    In the semiconductor industry, the use of new materials has been increasing with the advent of nanotechnology. As critical dimensions decrease, and the number of materials increases, the interactions between heterogeneous materials themselves and processing increase in complexity. Traditionally, applications of ab initio techniques are confined to electronic structure and band gap calculations of bulk materials, which are then used in coarse-grained models such as mesoscopic and continuum models. Density functional theory is the most widely used ab initio technique that was successfully extended to several applications. This paper illustrates applications of density functional theory to semiconductor processes and proposes further opportunities for use of such techniques in process development

  2. Differences in functional traits between invasive and native Amaranthus species under simulated acid deposition with a gradient of pH levels

    Science.gov (United States)

    Wang, Congyan; Wu, Bingde; Jiang, Kun; Zhou, Jiawei

    2018-05-01

    Co-occurring invasive plant species (invaders hereafter) and natives receive similar or even the same environmental selection pressures. Thus, the differences in functional traits between natives and invaders have become widely recognized as a major driving force of the success of plant invasion. Meanwhile, increasing amounts of acid are deposited into ecosystems. Thus, it is important to elucidate the potential effects of acid deposition on the functional traits of invaders in order to better understand the potential mechanisms for the successful invasion. This study aims to address the differences in functional traits between native red amaranth (Amaranthus tricolor L.; amaranth hereafter) and invasive redroot pigweed (A. retroflexus L.; pigweed hereafter) under simulated acid deposition with a gradient of pH levels. Pigweed was significantly taller than amaranth under most treatments. The greater height of pigweed can lead to greater competitive ability for resource acquisition, particularly for sunlight. Leaf shape index of pigweed was also significantly greater than that of amaranth under all treatments. The greater leaf shape index of pigweed can enhance the efficiency of resource capture (especially sunlight capture) via adjustments to leaf shape and size. Thus, the greater height and leaf shape index of pigweed can significantly enhance its competitive ability, especially under acid deposition. Acid deposition of pH 5.6 significantly increased amaranth leaf width in the co-cultivation due to added nutrients. The pH 4.5 acid deposition treatment significantly increased the specific leaf area of amaranth in the monoculture compared with the pH 5.6 acid deposition treatment and the control. The main mechanism explaining this pattern may be due to acid deposition mediating a hormesis effect on plants, promoting plant growth. The values of the relative competition intensity between amaranth and pigweed for most functional traits were lower than zero under most

  3. Strain gradient effects on cyclic plasticity

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof; Legarth, Brian Nyvang

    2010-01-01

    Size effects on the cyclic shear response are studied numerically using a recent higher order strain gradient visco-plasticity theory accounting for both dissipative and energetic gradient hardening. Numerical investigations of the response under cyclic pure shear and shear of a finite slab between...... rigid platens have been carried out, using the finite element method. It is shown for elastic–perfectly plastic solids how dissipative gradient effects lead to increased yield strength, whereas energetic gradient contributions lead to increased hardening as well as a Bauschinger effect. For linearly...... hardening materials it is quantified how dissipative and energetic gradient effects promote hardening above that of conventional predictions. Usually, increased hardening is attributed to energetic gradient effects, but here it is found that also dissipative gradient effects lead to additional hardening...

  4. Love-type waves in functionally graded piezoelectric material (FGPM) sandwiched between initially stressed layer and elastic substrate

    Science.gov (United States)

    Saroj, Pradeep K.; Sahu, S. A.; Chaudhary, S.; Chattopadhyay, A.

    2015-10-01

    This paper investigates the propagation behavior of Love-type surface waves in three-layered composite structure with initial stress. The composite structure has been taken in such a way that a functionally graded piezoelectric material (FGPM) layer is bonded between initially stressed piezoelectric upper layer and an elastic substrate. Using the method of separation of variables, frequency equation for the considered wave has been established in the form of determinant for electrical open and short cases on free surface. The bisection method iteration technique has been used to find the roots of the dispersion relations which give the modes for electrical open and short cases. The effects of gradient variation of material constant and initial stress on the phase velocity of surface waves are discussed. Dependence of thickness on each parameter of the study has been shown explicitly. Study has been also done to show the existence of cut-off frequency. Graphical representation has been done to exhibit the findings. The obtained results are significant for the investigation and characterization of Love-type waves in FGPM-layered media.

  5. PREFACE: 3rd International Symposium on Functional Materials 2009 (ISFM 2009) 3rd International Symposium on Functional Materials 2009 (ISFM 2009)

    Science.gov (United States)

    Kiwon, Kim; Li, Lu; Taehyun, Nam; Jouhyeon, Ahn

    2010-05-01

    The 3rd International Symposium on Functional Materials 2009 (ISFM 2009) and its preconference, Advances in Functional Materials 2009 (AFM 2009), were successfully held in the Republic of Korea from 15-18 June 2009 and in the People's Republic of China from 8-12 June 2009, respectively. The two conferences attracted over 300 oral and poster presentations from over 12 countries including Australia, Canada, China, Germany, Japan, India, Israel, Korea, The Netherlands, Thailand, the UK and the USA. In the two conferences, eight keynote lectures were delivered by S Miyazaki, S A Akbar, D J Singh, C Suryanarayana, M~Greenblatt, H Zhang, T Sato and J Ding. This topical issue of Physica Scripta contains papers presented at the ISFM 2009 and AFM 2009. Keyan Li from Dalian University, People's Republic of China, presents some empirical formulae to estimate the elastic moduli of rocksalt-, zincblende- and chalcopyrite-structured crystals, on the basis of electronegativities of bonded atoms in the crystallographic frame. Min-Jung Kim from Hanyang University, Korea, reports on the preparation and characterization of carboxyl functionalization of magnetite nanoparticles for oligonucleotide immobilization. F Yan from the National University of Singapore studies the fabrication of Bi(Fe0.5Sc0.5)O3-PbTiO3 (BSF-PT) thin films by pulsed laser deposition, and the enhanced magnetic moment with respect to BiFeO3-PbTiO3. Dong-Gil Lee from Pusan National University, Korea, reports on the sterilization of enteropathogenic Escherichia coli using nanofiber TiO2 films prepared by the electrostatic spray method. Sang-Eun Park from the Korea Institute of Science and Technology reports on the study of encapsulated Fe3O4 nanoparticles with a silica thin layer with a reversible capacity of about 363 mAhg-1. Other researchers report on many other exiting achievements in the fields of ferromagnetic materials, magneto-optical materials, thermoelectric materials, shape memory materials, fuel-cell and

  6. Age and gender specific normal values of left ventricular mass, volume and function for gradient echo magnetic resonance imaging: a cross sectional study

    International Nuclear Information System (INIS)

    Cain, Peter A; Ahl, Ragnhild; Hedstrom, Erik; Ugander, Martin; Allansdotter-Johnsson, Ase; Friberg, Peter; Arheden, Hakan

    2009-01-01

    Knowledge about age-specific normal values for left ventricular mass (LVM), end-diastolic volume (EDV), end-systolic volume (ESV), stroke volume (SV) and ejection fraction (EF) by cardiac magnetic resonance imaging (CMR) is of importance to differentiate between health and disease and to assess the severity of disease. The aims of the study were to determine age and gender specific normal reference values and to explore the normal physiological variation of these parameters from adolescence to late adulthood, in a cross sectional study. Gradient echo CMR was performed at 1.5 T in 96 healthy volunteers (11–81 years, 50 male). Gender-specific analysis of parameters was undertaken in both absolute values and adjusted for body surface area (BSA). Age and gender specific normal ranges for LV volumes, mass and function are presented from the second through the eighth decade of life. LVM, ESV and EDV rose during adolescence and declined in adulthood. SV and EF decreased with age. Compared to adult females, adult males had higher BSA-adjusted values of EDV (p = 0.006) and ESV (p < 0.001), similar SV (p = 0.51) and lower EF (p = 0.014). No gender differences were seen in the youngest, 11–15 year, age range. LV volumes, mass and function vary over a broad age range in healthy individuals. LV volumes and mass both rise in adolescence and decline with age. EF showed a rapid decline in adolescence compared to changes throughout adulthood. These findings demonstrate the need for age and gender specific normal ranges for clinical use

  7. Graded/Gradient Porous Biomaterials

    Directory of Open Access Journals (Sweden)

    Xigeng Miao

    2009-12-01

    Full Text Available Biomaterials include bioceramics, biometals, biopolymers and biocomposites and they play important roles in the replacement and regeneration of human tissues. However, dense bioceramics and dense biometals pose the problem of stress shielding due to their high Young’s moduli compared to those of bones. On the other hand, porous biomaterials exhibit the potential of bone ingrowth, which will depend on porous parameters such as pore size, pore interconnectivity, and porosity. Unfortunately, a highly porous biomaterial results in poor mechanical properties. To optimise the mechanical and the biological properties, porous biomaterials with graded/gradient porosity, pores size, and/or composition have been developed. Graded/gradient porous biomaterials have many advantages over graded/gradient dense biomaterials and uniform or homogenous porous biomaterials. The internal pore surfaces of graded/gradient porous biomaterials can be modified with organic, inorganic, or biological coatings and the internal pores themselves can also be filled with biocompatible and biodegradable materials or living cells. However, graded/gradient porous biomaterials are generally more difficult to fabricate than uniform or homogenous porous biomaterials. With the development of cost-effective processing techniques, graded/gradient porous biomaterials can find wide applications in bone defect filling, implant fixation, bone replacement, drug delivery, and tissue engineering.

  8. Deep eutectic solvents: sustainable media for nanoscale and functional materials.

    Science.gov (United States)

    Wagle, Durgesh V; Zhao, Hua; Baker, Gary A

    2014-08-19

    genesis of nanostructure. Furthermore, DES components may modulate nucleation and growth mechanisms by charge neutralization, modification of reduction potentials (or chemical activities), and passivation of particular crystal faces, dictating growth along preferred crystallographic directions. Broad operational windows for electrochemical reactions coupled with their inherent ionic nature facilitate the electrodeposition of alloys and semiconductors inaccessible to classical means and the use of cosolvents or applied potential control provide under-explored strategies for mediating interfacial interactions leading to control over film characteristics. The biocompatibility of DESs suggests intriguing potential for the construction of biomolecular architectures in these novel media. It has been demonstrated that nucleic acid structures can be manipulated in the ionic, crowded, dehydrating (low water activity) DES environment-including the adoption of duplex helical structures divergent from the canonical B form and parallel G-quadruplex DNA persisting near water's boiling point-challenging the misconception that water is a necessity for maintenance of nucleic acid structure/functionality and suggesting an enticing trajectory toward DNA/RNA-based nanocatalysis within a strictly anhydrous medium. DESs offer tremendous opportunities and open intriguing perspectives for generating sophisticated nanostructures within an anhydrous or low-water medium. We conclude this Account by offering our thoughts on the evolution of the field, pointing to areas of clear and compelling utility which will surely see fruition in the coming years. Finally, we highlight a few hurdles (e.g., need for a universal nomenclature, absence of water-immiscible, oriented-phase, and low-viscosity DESs) which, once navigated, will hasten progress in this area.

  9. Molecular-beam epitaxial growth and ion-beam analysis systems for functional materials research

    International Nuclear Information System (INIS)

    Takeshita, H.; Aoki, Y.; Yamamoto, S.; Naramoto, H.

    1992-01-01

    Experimental systems for molecular beam epitaxial growth and ion beam analysis have been designed and constructed for the research of inorganic functional materials such as thin films and superlattices. (author)

  10. Maruzen Petrochemical Co., Ltd.: It sells function carbon material; Kinosei tanso zai wo kakuhan

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-02-28

    Maruzen Petrochemical Co., Ltd. strengthens the sales of the function carbon material. Maruzen Petrochemical Co., Ltd. started development of demand of the new function charcoals purple material. New carbon material proceeds with the sample work to turn the lithium ion the second battery that an electric self-help car and so on is being expected demand expansion with the material for molding which made naphsa resolution child quality oil raw material, and capacitor. In the same company, the policy that laying will be fitted to this rank diffusion of the electric car in the future and a business story comic will be advanced as a high-performance capacitor material. (translated by NEDO)

  11. Application of radiation-induced graft polymerization to preparation of functional materials

    International Nuclear Information System (INIS)

    Sugo, Takanobu

    2010-01-01

    Radiation-induced graft polymerization is a powerful method for appending various functionalities onto existing fabrics, nonwoven fabrics, fibers, membranes, and beads while maintaining the shape and mechanical strength. By using this method, the author has developed and commercialized functional polymeric materials over 45 years. The materials produced by the fruits of radiation chemistry contributed to the improvement of our lives and environments and the collection of rare metal resources. (author)

  12. Tailored functional materials with controlled thermal expansion and excellent thermal conductivity

    International Nuclear Information System (INIS)

    Korb, G.; Sebo, P.

    1997-01-01

    Engineering materials are mainly used for structures. Therefore high-strength, stiffness and sufficient toughness are of prime importance. For a long time engineers thought first in terms of metals. Material scientists developed alloys tailored to the needs of industry. Ceramics are known to be brittle and therefore not suitable in the first place for structural application under stress. Polymers with their low modulus became attractive when reinforced with high-strength fibres. Composites processed by polymer, metal or ceramic matrices and high-strength reinforcements have been introduced into many sectors of industry. Engineering materials for structural applications fulfil a function: they withstand high stresses, temperatures, fatigue, creep etc. But usually we do not call them functional materials. Functional materials serve applications apart from classical engineering fields. Electricity conducting materials, semi conductors, memory alloys and many others are called functional materials. Because of the fact that the basic physical properties cannot be changed in single-phase materials, the combination of two and more materials with different properties lead to components with new and tailored properties. A few techniques for preparation are described as powder metallurgy, infiltration of prepegs and compaction of precoated fibres/particles. The lecture is focusing on carbon fibre/particle reinforced Metal Matrix Materials. The achievable properties, in particular the thermal conductivity originating from the base materials is depending on the orientation of the fibres and interfacial contacts in the composite. The carefully controlled expansion behaviour is the most important property to use the material as a heat sink in electronic assemblies. (author)

  13. Towards the Industrial Application of Spark Ablation for Nanostructured Functional Materials

    NARCIS (Netherlands)

    Pfeiffer, T.V.

    2014-01-01

    Nanostructuring of functional materials is an essential part in the design of energy related devices – but the industrial tools we have to make these materials are lacking. This dissertation explores the green, flexible, and scalable spark discharge process for the fabrication of complex

  14. 49 CFR 171.1 - Applicability of Hazardous Materials Regulations (HMR) to persons and functions.

    Science.gov (United States)

    2010-10-01

    ... $250 for each violation, except the maximum civil penalty is $110,000 if the violation results in death... and functions. Federal hazardous materials transportation law (49 U.S.C. 5101 et seq.) directs the... regulations to persons who transport hazardous materials in commerce. In addition, the law authorizes the...

  15. STOCHASTIC GRADIENT METHODS FOR UNCONSTRAINED OPTIMIZATION

    Directory of Open Access Journals (Sweden)

    Nataša Krejić

    2014-12-01

    Full Text Available This papers presents an overview of gradient based methods for minimization of noisy functions. It is assumed that the objective functions is either given with error terms of stochastic nature or given as the mathematical expectation. Such problems arise in the context of simulation based optimization. The focus of this presentation is on the gradient based Stochastic Approximation and Sample Average Approximation methods. The concept of stochastic gradient approximation of the true gradient can be successfully extended to deterministic problems. Methods of this kind are presented for the data fitting and machine learning problems.

  16. The Complex Gradient Operator and the CR-Calculus

    OpenAIRE

    Kreutz-Delgado, Ken

    2009-01-01

    A thorough discussion and development of the calculus of real-valued functions of complex-valued vectors is given using the framework of the Wirtinger Calculus. The presented material is suitable for exposition in an introductory Electrical Engineering graduate level course on the use of complex gradients and complex Hessian matrices, and has been successfully used in teaching at UC San Diego. Going beyond the commonly encountered treatments of the first-order complex vector calculus, second-...

  17. Where do the Nuclear Materials Management functions fit in the Materials Control and Accountability (MC and A) plan?

    International Nuclear Information System (INIS)

    DeVer, E.A.

    1987-01-01

    Safeguards had its beginning in the early 1940s and has continued to grow through the stormy years in dealing with nuclear materials. MC and A Plans have been developed for each facility which includes requirements for containment, surveillance, internal controls, measurements, statistics, records and report systems, and inventory certification of its nuclear materials, in the context of how precisely the inventory is known at stated risk or confidence levels. The I and E Regulations, the newest document affecting the control system, are used for testing the current MC and A plan in place at each facility. Nuclear Materials Management activities also have reporting requirements that include: (1) Annual Forecast, (2) Materials Management Plan, (3) Quarterly Status Report, (4) Assessment Report, and (5) Scrap and Excess Material Management. Data used to generate reports for both functions come from the same data base and source documents at most facilities. The separation of sponsoring groups at the DOE for NM Accountability and NM Management can and does pose problems for contractors. In this paper, we will try to separate and identify these overlaps at the Facility and DOE level

  18. Determination of the Local Thermal Conductivity of Functionally Graded Materials by a Laser Flash Method

    DEFF Research Database (Denmark)

    Zajas, Jan Jakub; Heiselberg, Per

    2013-01-01

    Determination of thermal conductivity of construction materials is essential to estimate their insulation capabilities. In most cases, homogenous materials are used and well developed methods exist for measurements of their thermal conductivity. The task becomes more challenging when dealing...... by scanning them point by point and determining the thermal conductivity as a function of the spatial dimensions. The method proves to be repeatable and of reasonable accuracy and can be used to determine the local thermal properties on a scale of millimeters. In this study, the method was successfully...... applied to create a map of thermal conductivity of a functionally graded material sample....

  19. A strain gradient plasticity theory with application to wire torsion

    KAUST Repository

    Liu, J. X.; El Sayed, Tamer S.

    2014-01-01

    Based on the framework of the existing strain gradient plasticity theories, we have examined three kinds of relations for the plastic strain dependence of the material intrinsic length scale, and thus developed updated strain gradient plasticity

  20. Functional organic materials based on polymerized liquid-crystal monomers: supramolecular hydrogen-bonded systems.

    Science.gov (United States)

    Broer, Dirk J; Bastiaansen, Cees M W; Debije, Michael G; Schenning, Albertus P H J

    2012-07-16

    Functional organic materials are of great interest for a variety of applications. To obtain precise functional properties, well-defined hierarchically ordered supramolecular materials are crucial. The self-assembly of liquid crystals has proven to be an extremely useful tool in the development of well-defined nanostructured materials. We have chosen the illustrative example of photopolymerizable hydrogen-bonding mesogens to show that a wide variety of functional materials can be made from a relatively simple set of building blocks. Upon mixing these compounds with other reactive mesogens, nematic, chiral nematic, and smectic or columnar liquid-crystalline phases can be formed that can be applied as actuators, sensors and responsive reflectors, and nanoporous membranes, respectively. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. CO_2 capture by amine-functionalized nanoporous materials: A review

    International Nuclear Information System (INIS)

    Chen, Chao; Kim, Jun; Ahn, Wha-Seung

    2014-01-01

    Amine-functionalized nanoporous materials can be prepared by the incorporation of diverse organic amine moieties into the pore structures of a range of support materials, such as mesoporous silica and alumina, zeolite, carbon and metal organic frameworks (MOFs), either by direct functionalization or post-synthesis through physical impregnation or grafting. These hybrid materials have great potential for practical applications, such as dry adsorbents for postcombustion CO_2 capture, owing to their high CO_2 capture capacity, high capture selectivity towards CO_2 compared to other gases, and excellent stability. This paper summarizes the preparation methods and CO_2 capture performance based on the equilibrium CO_2 uptake of a range of amine-functionalized nanoporous materials

  2. Rapid Gradient-Echo Imaging

    Science.gov (United States)

    Hargreaves, Brian

    2012-01-01

    Gradient echo sequences are widely used in magnetic resonance imaging (MRI) for numerous applications ranging from angiography to perfusion to functional MRI. Compared with spin-echo techniques, the very short repetition times of gradient-echo methods enable very rapid 2D and 3D imaging, but also lead to complicated “steady states.” Signal and contrast behavior can be described graphically and mathematically, and depends strongly on the type of spoiling: fully balanced (no spoiling), gradient spoiling, or RF-spoiling. These spoiling options trade off between high signal and pure T1 contrast while the flip angle also affects image contrast in all cases, both of which can be demonstrated theoretically and in image examples. As with spin-echo sequences, magnetization preparation can be added to gradient-echo sequences to alter image contrast. Gradient echo sequences are widely used for numerous applications such as 3D perfusion imaging, functional MRI, cardiac imaging and MR angiography. PMID:23097185

  3. Green's functions of one-dimensional quasicrystal bi-material with piezoelectric effect

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Liangliang [College of Engineering, China Agricultural University, Beijing 100083 (China); Sinomatech Wind Power Blade Co., Ltd, Beijing 100092 (China); Wu, Di [College of Engineering, China Agricultural University, Beijing 100083 (China); Xu, Wenshuai [College of Science, China Agricultural University, Beijing 100083 (China); Yang, Lianzhi [Civil and Environmental Engineering School, University of Science and Technology Beijing, Beijing 100083 (China); Ricoeur, Andreas; Wang, Zhibin [Institute of Mechanics, University of Kassel, 34125 Kassel (Germany); Gao, Yang, E-mail: gaoyangg@gmail.com [College of Science, China Agricultural University, Beijing 100083 (China)

    2016-09-16

    Based on the Stroh formalism of one-dimensional quasicrystals with piezoelectric effect, the problems of an infinite plane composed of two different quasicrystal half-planes are taken into account. The solutions of the internal and interfacial Green's functions of quasicrystal bi-material are obtained. Moreover, numerical examples are analyzed for a quasicrystal bi-material subjected to line forces or line dislocations, showing the contour maps of the coupled fields. The impacts of changing material constants on the coupled field components are investigated. - Highlights: • Green's functions of 1D piezoelectric quasicrystal bi-material are studied. • The coupled fields subjected to line forces or line dislocations are obtained. • Mechanical behavior under the effect of different material constants is researched.

  4. Coral Reef Functioning Along a Cross‐shelf Environmental Gradient: Abiotic and Biotic Drivers of Coral Reef Growth in the Red Sea

    KAUST Repository

    Roik, Anna

    2016-06-01

    Despite high temperature and salinity conditions that challenge reef growth in other oceans, the Red Sea maintains amongst the most biodiverse and productive coral reefs worldwide. It is therefore an important region for the exploration of coral reef functioning, and expected to contribute valuable insights towards the understanding of coral reefs in challenging environments. This dissertation assessed the baseline variability of in situ abiotic conditions (temperature, dissolved oxygen, pH, and total alkalinity, among others) in the central Red Sea and highlights these environmental regimes in a global context. Further, focus was directed on biotic factors (biofilm community dynamics, calcification and bioerosion), which underlie reef growth processes and are crucial for maintaining coral reef functioning and ecosystem services. Using full‐year data from an environmental cross‐shelf gradient, the dynamic interplay of abiotic and biotic factors was investigated. In situ observations demonstrate that central Red Sea coral reefs were highly variable on spatial, seasonal, and diel scales, and exhibited comparably high temperature, high salinity, and low dissolved oxygen levels, which on the one hand reflect future ocean predictions. Under these conditions epilithic bacterial and algal assemblages were mainly driven by variables (i.e., temperature, salinity, dissolved oxygen) which are predicted to change strongly in the progression of global climate change, implying an influential bottom up effect on reef‐building communities. On the other hand, measured alkalinity and other carbonate chemistry value were close to the estimates of preindustrial global ocean surface water and thus in favor of reef growth processes. Despite this beneficial carbonate chemistry, calcification and carbonate budgets in the reefs were not higher than in other coral reef regions. In this regard, seasonal calcification patterns suggest that summer temperatures may be exceeding the optima

  5. The effect of gradient boracic polyanion-doping on structure, morphology, and cycling performance of Ni-rich LiNi0.8Co0.15Al0.05O2 cathode material

    Science.gov (United States)

    Chen, Tao; Li, Xiang; Wang, Hao; Yan, Xinxiu; Wang, Lei; Deng, Bangwei; Ge, Wujie; Qu, Meizhen

    2018-01-01

    A gradient boracic polyanion-doping method is applied to Ni-rich LiNi0.8Co0.15Al0.05O2 (NCA) cathode material in this study to suppress the capacity/potential fade during charge-discharge cycling. Scanning electron microscope (SEM) results show that all samples present spherical morphology and the secondary particle size increases with increasing boron content. X-ray diffraction (XRD), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) results demonstrate that boracic polyanions are successfully introduced into the bulk material and more enriched in the outer layer. XPS analysis further reveals that the valence state of Ni3+ is partly reduced to Ni2+ at the surface due to the incorporation of boracic polyanions. From the electrochemical measurements, B0.015-NCA electrode exhibits excellent cycling performance, even at high potential and elevated temperature. Moreover, the SEM images illustrate the presence of cracks and a thick SEI layer on pristine particles after 100 cycles at high temperature, while the B0.015-NCA particles show an intact structure and thin SEI layer. Electrochemical impedance spectroscopy confirms that the boracic polyanion doping could hinder the impedance increase during cycling at elevated temperature. These results clearly indicate that the gradient boracic polyanion-doping contributes to the remarkable enhancement of structure stability and cycling performance of NCA.

  6. Al2O3 Coated Concentration-Gradient Li[Ni0.73Co0.12Mn0.15]O2 Cathode Material by Freeze Drying for Long-Life Lithium Ion Batteries

    International Nuclear Information System (INIS)

    Wang, Jingpeng; Du, Chunyu; Yan, Chunqiu; He, Xiaoshu; Song, Bai; Yin, Geping; Zuo, Pengjian; Cheng, Xinqun

    2015-01-01

    Highlights: • Al 2 O 3 -coated concentration-gradient oxide is synthesized by a freeze drying method. • The effect of Al 2 O 3 -coating on concentration-gradient cathode is firstly studied. • Al 2 O 3 -coated sample exhibits high capacity and significantly enhanced cyclability. • Improved cyclability is ascribed to the effective protection of uniform Al 2 O 3 layer. - Abstract: In order to enhance the electrochemical performance of the high capacity layered oxide cathode with a Ni-rich core and a concentration-gradient shell (NRC-CGS), we use a freeze drying method to coat Al 2 O 3 layer onto the surface of NRC-CGS Li[Ni 0.73 Co 0.12 Mn 0.15 ]O 2 material. The samples are characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, charge-discharge measurements and electrochemical impedance spectroscopy. It is revealed that an amorphous Al 2 O 3 layer of about 5 nm in thickness is uniformly formed on the surface of NRC-CGS Li[Ni 0.73 Co 0.12 Mn 0.15 ]O 2 material by the freeze drying procedure. The freeze drying Al 2 O 3 -coated (FD-Al 2 O 3 -coated) sample demonstrates similar discharge capacity and significantly enhanced cycling performances, in comparison to the pristine and conventional heating drying Al 2 O 3 -coated (HD-Al 2 O 3 -coated) samples. The capacity decay rate of FD-Al 2 O 3 -coated Li[Ni 0.73 Co 0.12 Mn 0.15 ]O 2 material is 1.7% after 150 cycles at 55 °C, which is 9 and 12 times lower than that of the pristine and HD-Al 2 O 3 -coated samples. The superior electrochemical stability of the FD-Al 2 O 3 -coated sample is attributed to the synergistic protection of CGS and high-quality Al 2 O 3 coating that effectively protect the active material from electrolyte attack. The freeze drying process provides an effective method to prepare the high performance surface-coated electrode materials

  7. Deflection control of functionally graded material beams with bonded piezoelectric sensors and actuators

    International Nuclear Information System (INIS)

    Gharib, Ahmad; Salehi, Manouchehr; Fazeli, Saeed

    2008-01-01

    An analytical solution is developed for analysis of functionally graded material (FGM) beams containing two layers of piezoelectric material, used as sensor and actuator. The properties of FGM layer are functionally graded in the thickness direction according to the volume fraction power law distribution. The equations of motion are derived by using Hamilton's principle, based on the first-order shear deformation theory. By using a displacement potential function, and assumption of harmonic vibration, the equations of motion have been solved analytically. Finally, the effects of FGM constituent volume fraction in the peak responses for various volume fraction indexes have been graphically illustrated

  8. Variations in erosive wear of metallic materials with temperature via the electron work function

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Xiaochen; Yu, Bin [Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta, T6G 2V4 (Canada); Yan, X.G. [School of Mechanical Engineering, Taiyuan University of Science and Technology, Taiyuan, Shanxi (China); Li, D.Y., E-mail: dongyang.li@ualberta.ca [Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta, T6G 2V4 (Canada); School of Mechanical Engineering, Taiyuan University of Science and Technology, Taiyuan, Shanxi (China)

    2016-04-01

    Mechanical properties of metals are intrinsically determined by their electron behavior, which is largely reflected by the electron work function (EWF or φ). Since the work function varies with temperature, the dependence of material properties on temperature could be predicted via variations in work function with temperature. Combining a hardness – φ relationship and the dependence of work function on temperature, a temperature-dependent model for predicting solid-particle erosion is proposed. Erosive wear losses of copper, nickel, and carbon steel as sample materials were measured at different temperatures. Results of the tests are consistent with the theoretical prediction. This study demonstrates a promising parameter, electron work function, for looking into fundamental aspects of wear phenomena, which would also help develop alternative methodologies for material design. - Highlights: • Metallic materials' wear resistance is influenced by temperature. • Electron work function (EWF) intrinsically determines materials' wear resistance. • An EWF-based temperature-dependent solid-particle erosion model is proposed.

  9. Development of Manufacturing Method of Highly Functional Material Gallic acid-CLA Ester Using Irradiation

    International Nuclear Information System (INIS)

    Cho, C. H.; Byun, M. W.; Jeong, I. Y.; Kim, D. H.

    2006-01-01

    Increasing interest and current trends for natural materials with various health beneficial functions by radiation (RT)-biotechnology (BT) fusion by developed countries. However, the information and development of new functional materials using the RT-BT fusion technology is still limited. The target material developed and manufactured by RT-BT fusion technology may have a multi-functional effect on human health and it can be applied for pharmaceutical materials as well as functional food ingredient. The market of functional new materials has been grown dramatically and a multi-functional material manufactured by RT-BT fusion technology may have a great economic impact for both the domestic and overseas market. Development of GA-CLA ester by chemical synthetic method. Transformation of linoleic acid to conjugated linoleic acid by irradiation. Identification and confirmation of the biological functions including antioxidative, cancer cell proliferation inhibition, anti-microbial, enhancement of immune response and lipid metabolism of GA-CLA ester. Increase industrial applicability of the new materials. Development of GA-CLA ester by chemical synthetic method(2 patents submitted). Development of the optimum methodology of GA-CLA and its derivative, octadeca-9,12-dienyl-3,4,5-trihydroxy benzoate). Identification and confirmation of biological activities of GA-CLA. Extramural funding from the Ministry of Commerce, Industry, and Energy subjected by gallic acid-fatty acid derivatives (205,000,000 Won). Provides the basic data for successful project 'Development of cosmeceutical and cosmetics using gallic acid fatty acid derivatives' funded by Ministry of Commerce, Industry, and Energy and collaboration with the Technology-invested venture company, SunBiotech, Co. and problem-solving for industrial application. Complete the patent procedure and publish the results to international or domestic peer-reviewed journals

  10. Dose gradient curve: A new tool for evaluating dose gradient.

    Science.gov (United States)

    Sung, KiHoon; Choi, Young Eun

    2018-01-01

    Stereotactic radiotherapy, which delivers an ablative high radiation dose to a target volume for maximum local tumor control, requires a rapid dose fall-off outside the target volume to prevent extensive damage to nearby normal tissue. Currently, there is no tool to comprehensively evaluate the dose gradient near the target volume. We propose the dose gradient curve (DGC) as a new tool to evaluate the quality of a treatment plan with respect to the dose fall-off characteristics. The average distance between two isodose surfaces was represented by the dose gradient index (DGI) estimated by a simple equation using the volume and surface area of isodose levels. The surface area was calculated by mesh generation and surface triangulation. The DGC was defined as a plot of the DGI of each dose interval as a function of the dose. Two types of DGCs, differential and cumulative, were generated. The performance of the DGC was evaluated using stereotactic radiosurgery plans for virtual targets. Over the range of dose distributions, the dose gradient of each dose interval was well-characterized by the DGC in an easily understandable graph format. Significant changes in the DGC were observed reflecting the differences in planning situations and various prescription doses. The DGC is a rational method for visualizing the dose gradient as the average distance between two isodose surfaces; the shorter the distance, the steeper the dose gradient. By combining the DGC with the dose-volume histogram (DVH) in a single plot, the DGC can be utilized to evaluate not only the dose gradient but also the target coverage in routine clinical practice.

  11. DOE Energy Frontiers Research Center for Heterogeneous Functional Materials; the “HeteroFoaM Center”

    Energy Technology Data Exchange (ETDEWEB)

    Reifsnider, Kenneth Leonard [Univ. of South Carolina, Columbia, SC (United States)

    2016-11-03

    Synopsis of five year accomplishments: Devices that convert and store energy are generally made from heterogeneous constituent materials that act and interact to selectively conduct, transport, and separate mass, heat, and charge. Controlling these actions and interactions enables the technical breakthroughs that have made fuel cells, batteries, and solid state membranes, for example, essential parts of our society. In the biological sense, these materials are ‘vascular’ rather than primitive ‘cellular’ materials, in which the arrangements and configurations of the constituents (including their void phases) play essential and definitive roles in their functional capabilities. In 2009 a group of investigators, with lifetime investments of effort in the understanding of heterogeneous materials, recognized that the design of such material systems is not an optimization problem as such. Local interactions of the constituents create “emergent” properties and responses that are not part of the formal set of constituent characteristics, in much the same sense that society and culture is created by the group interactions of the people involved. The design of emergent properties is an open question in all formal science, but for energy materials the lack of this foundation science relegates development tasks to Edisonian trial and error, with anecdotal success and frequent costly failures. That group defined, for the first time, multi-scale heterogeneous functional materials with functional disordered and void phase regions as “HeteroFoaM,” and formed the first multidisciplinary research team to define and codify the foundation science of that material class. The primary goal of the HeteroFoaM Center was, and is, to create and establish the multi-scale fundamental knowledge and related methodology required for the rational and systematic multiphysics design of heterogeneous functional materials and their interfaces and surfaces for applications in energy

  12. Ab initio density-functional calculations in materials science: from quasicrystals over microporous catalysts to spintronics.

    Science.gov (United States)

    Hafner, Jürgen

    2010-09-29

    During the last 20 years computer simulations based on a quantum-mechanical description of the interactions between electrons and atomic nuclei have developed an increasingly important impact on materials science, not only in promoting a deeper understanding of the fundamental physical phenomena, but also enabling the computer-assisted design of materials for future technologies. The backbone of atomic-scale computational materials science is density-functional theory (DFT) which allows us to cast the intractable complexity of electron-electron interactions into the form of an effective single-particle equation determined by the exchange-correlation functional. Progress in DFT-based calculations of the properties of materials and of simulations of processes in materials depends on: (1) the development of improved exchange-correlation functionals and advanced post-DFT methods and their implementation in highly efficient computer codes, (2) the development of methods allowing us to bridge the gaps in the temperature, pressure, time and length scales between the ab initio calculations and real-world experiments and (3) the extension of the functionality of these codes, permitting us to treat additional properties and new processes. In this paper we discuss the current status of techniques for performing quantum-based simulations on materials and present some illustrative examples of applications to complex quasiperiodic alloys, cluster-support interactions in microporous acid catalysts and magnetic nanostructures.

  13. Tailoring vibration mode shapes using topology optimization and functionally graded material concepts

    International Nuclear Information System (INIS)

    Rubio, Wilfredo Montealegre; Paulino, Glaucio H; Silva, Emilio Carlos Nelli

    2011-01-01

    Tailoring specified vibration modes is a requirement for designing piezoelectric devices aimed at dynamic-type applications. A technique for designing the shape of specified vibration modes is the topology optimization method (TOM) which finds an optimum material distribution inside a design domain to obtain a structure that vibrates according to specified eigenfrequencies and eigenmodes. Nevertheless, when the TOM is applied to dynamic problems, the well-known grayscale or intermediate material problem arises which can invalidate the post-processing of the optimal result. Thus, a more natural way for solving dynamic problems using TOM is to allow intermediate material values. This idea leads to the functionally graded material (FGM) concept. In fact, FGMs are materials whose properties and microstructure continuously change along a specific direction. Therefore, in this paper, an approach is presented for tailoring user-defined vibration modes, by applying the TOM and FGM concepts to design functionally graded piezoelectric transducers (FGPT) and non-piezoelectric structures (functionally graded structures—FGS) in order to achieve maximum and/or minimum vibration amplitudes at certain points of the structure, by simultaneously finding the topology and material gradation function. The optimization problem is solved by using sequential linear programming. Two-dimensional results are presented to illustrate the method

  14. Classical entropy generation analysis in cooled homogenous and functionally graded material slabs with variation of internal heat generation with temperature, and convective–radiative boundary conditions

    International Nuclear Information System (INIS)

    Torabi, Mohsen; Zhang, Kaili

    2014-01-01

    This article investigates the classical entropy generation in cooled slabs. Two types of materials are assumed for the slab: homogeneous material and FGM (functionally graded material). For the homogeneous material, the thermal conductivity is assumed to be a linear function of temperature, while for the FGM slab the thermal conductivity is modeled to vary in accordance with the rule of mixtures. The boundary conditions are assumed to be convective and radiative concurrently, and the internal heat generation of the slab is a linear function of temperature. Using the DTM (differential transformation method) and resultant temperature fields from the DTM, the local and total entropy generation rates within slabs are derived. The effects of physically applicable parameters such as the thermal conductivity parameter for the homogenous slab, β, the thermal conductivity parameter for the FGM slab, γ, gradient index, j, internal heat generation parameter, Q, Biot number at the right side, Nc 2 , conduction–radiation parameter, Nr 2 , dimensionless convection sink temperature, δ, and dimensionless radiation sink temperature, η, on the local and total entropy generation rates are illustrated and explained. The results demonstrate that considering temperature- or coordinate-dependent thermal conductivity and radiation heat transfer at both sides of the slab have great effects on the entropy generation. - Highlights: • The paper investigates entropy generation in a slab due to heat generation and convective–radiative boundary conditions. • Both homogeneous material and FGM (functionally graded material) were considered. • The calculations are carried out using the differential transformation method which is a well-tested analytical technique

  15. Potential of hybrid functionalized meso-porous materials for the separation and immobilization of radionuclides

    International Nuclear Information System (INIS)

    Luca, V.

    2013-01-01

    Functionalized meso-porous materials are a class of hybrid organic-inorganic material in which a meso-porous metal oxide framework is functionalized with multifunctional organic molecules. These molecules may contain one or more anchor groups that form strong bonds to the pore surfaces of the metal oxide framework and free functional groups that can impart and or modify the functionality of the material such as for binding metal ions in solution. Such materials have been extensively studied over the past decade and are of particular interest in absorption applications because of the tremendous versatility in choosing the composition and architecture of the metal oxide framework and the nature of the functional organic molecule as well as the efficient mass transfer that can occur through a well-designed hierarchically porous network. A sorbent for nuclear applications would have to be highly selective for particular radio nuclides, it would need to be hydrolytically and radiolytically stable, and it would have to possess reasonable capacity and fast kinetics. The sorbent would also have to be available in a form suitable for use in a column. Finally, it would also be desirable if once saturated with radio nuclides, the sorbent could be recycled or converted directly into a ceramic or glass waste form suitable for direct repository disposal or even converted directly into a material that could be used as a transmutation target. Such a cradle-to- grave strategy could have many benefits in so far as process efficiency and the generation of secondary wastes are concerned.This paper will provide an overview of work done on all of the above mentioned aspects of the development of functionalized meso-porous adsorbent materials for the selective separation of lanthanides and actinides and discuss the prospects for future implementation of a cradle-to-grave strategy with such materials. (author)

  16. Protein gradient films of fibroin and gelatine.

    Science.gov (United States)

    Claussen, Kai U; Lintz, Eileen S; Giesa, Reiner; Schmidt, Hans-Werner; Scheibel, Thomas

    2013-10-01

    Gradients are a natural design principle in biological systems that are used to diminish stress concentration where materials of differing mechanical properties connect. An interesting example of a natural gradient material is byssus, which anchors mussels to rocks and other hard substrata. Building upon previous work with synthetic polymers and inspired by byssal threads, protein gradient films are cast using glycerine-plasticized gelatine and fibroin exhibiting a highly reproducible and smooth mechanical gradient, which encompasses a large range of modulus from 160 to 550 MPa. The reproducible production of biocompatible gradient films represents a first step towards medical applications. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Research study on highly functional carbon related materials; Tansokei kokino zairyo no chosa kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-03-01

    The study results on highly functional carbon related materials are reported as a part of the leading research in fiscal 1996. Synthesis of these novel materials is outlined, and R & D results on the following materials are described: diamond, hetero-diamond, graphite, amorphous carbon, carbyne, fullerences, carbon nitride and chemically modified carbon materials. Their issues, future possibility and market in 2010 are also described. The markets are predicted of such electronic materials as electronic emitter, sensor, solid device and heat sink, such optical materials as X-ray lithography, and such chemical materials as electrode and catalyst. Promising characteristics of light-weight and high-hardness machine materials are presented, and some issues such as material synthesis, and intensive machining and application technologies are described. The future markets are predicted of their applications to tools, dies, information equipment, glass, automobiles, aircraft, spacecraft and industrial machines. Problems and their break through techniques of these novel materials are also presented. 220 refs., 68 figs., 16 tabs.

  18. Structural and compositional gradients: basic idea, preparation, applications

    International Nuclear Information System (INIS)

    Ilschner, B.

    1993-01-01

    The term gradient materials refers to gradients of chemical composition and/or microstructural parameters which are intentionally introduced into components of any kind of homogeneous or heterogeneous materials, including metallic alloys, ceramics, glasses, polymers, and composites. After a short review of the development of the gradient materials technology since 1972, some fundamental aspects concerning the effects of such gradients on physical or mechanical properties are discussed. A selection of technical applications which have been discussed recently is presented. Finally, different methods for the preparation of gradients from gaseous, liquid or powder precursors are reviewed. (orig.)

  19. Immobilization of lipase and keratinase on functionalized SBA-15 nanostructured materials

    Science.gov (United States)

    Le, Hy G.; Vu, Tuan A.; Tran, Hoa T. K.; Dang, Phuong T.

    2013-12-01

    SBA-15 nanostructured materials were synthesized via hydrothermal treatment and were functionalized with 3- aminopropyltriethoxysilane (APTES). The obtained samples were characterized by different techniques such as XRD, BET, TEM, IR and DTA. After functionalization, it showed that these nanostrucrured materials still maintained the hexagonal pore structure of the parent SBA-15. The model enzyms chosen in this study were lipase and keratinase. Lipase was a biocatalyst for hydrolyzation of long chain triglycerides or methyl esters of long chain alcohols and fatty acids; keratinase is a proteolytic enzyme that catalyzes the cleavage of keratin. The functionalized SBA-15 materials were used to immobilize lipase and keratinase, exhibiting higher activity than that of the unfunctionalized pure silica SBA-15 ones. This might be due to the enhancing of surface hydrophobicity upon functionalization. The surface functionalization of the nanostructured silicas with organic groups can favor the interaction between enzyme and the supports and consequently increasing the operational stability of the immobilized enzymes. The loading of lipase on functionalized SBA-15 materials was higher than that of keratinase. This might be rationalized by the difference in size of enzyms.

  20. Na+,HCO3--cotransport is functionally upregulated during human breast carcinogenesis and required for the inverted pH gradient across the plasma membrane

    DEFF Research Database (Denmark)

    Lee, Soojung; Mele, Marco; Vahl, Pernille

    2015-01-01

    Metabolic and biochemical changes during breast carcinogenesis enhance cellular acid production. Extrusion of the acid load from the cancer cells raises intracellular pH, while it decreases extracellular pH creating an inverted pH gradient across the plasma membrane compared to normal cells and p...

  1. Apparatus and test method for characterizing the temperature regulating properties of thermal functional porous polymeric materials.

    Science.gov (United States)

    Yao, Bao-Guo; Zhang, Shan; Zhang, De-Pin

    2017-05-01

    In order to evaluate the temperature regulating properties of thermal functional porous polymeric materials such as fabrics treated with phase change material microcapsules, a new apparatus was developed. The apparatus and the test method can measure the heat flux, temperature, and displacement signals during the dynamic contact and then quickly give an evaluation for the temperature regulating properties by simulating the dynamic heat transfer and temperature regulating process when the materials contact the body skin. A series of indices including the psychosensory intensity, regulating capability index, and relative regulating index were defined to characterize the temperature regulating properties. The measurement principle, the evaluation criteria and grading method, the experimental setup and the test results discussion, and the gage capability analysis of the apparatus are presented. The new apparatus provides a method for the objective measurement and evaluation of the temperature regulating properties of thermal functional porous polymeric materials.

  2. Chitosan Derivatives: Introducing New Functionalities with a Controlled Molecular Architecture for Innovative Materials

    Directory of Open Access Journals (Sweden)

    Waldo M. Argüelles-Monal

    2018-03-01

    Full Text Available The functionalization of polymeric substances is of great interest for the development of innovative materials for advanced applications. For many decades, the functionalization of chitosan has been a convenient way to improve its properties with the aim of preparing new materials with specialized characteristics. In the present review, we summarize the latest methods for the modification and derivatization of chitin and chitosan under experimental conditions, which allow a control over the macromolecular architecture. This is because an understanding of the interdependence between chemical structure and properties is an important condition for proposing innovative materials. New advances in methods and strategies of functionalization such as the click chemistry approach, grafting onto copolymerization, coupling with cyclodextrins, and reactions in ionic liquids are discussed.

  3. Preconditioning the modified conjugate gradient method ...

    African Journals Online (AJOL)

    In this paper, the convergence analysis of the conventional conjugate Gradient method was reviewed. And the convergence analysis of the modified conjugate Gradient method was analysed with our extension on preconditioning the algorithm. Convergence of the algorithm is a function of the condition number of M-1A.

  4. Determination of local texture and stress distributions on submicro-/nanocrystalline multiphase gradient materials by means of two-dimensional X-ray diffraction as well by means of analytical and numerical modeling approaches

    International Nuclear Information System (INIS)

    Eschke, Andy

    2015-01-01

    Examination object of the present thesis was the determination of local distributions of crystallographic texture and mechanical (eigen-)stresses in submicro-/nan0crystalline many-phase gradient materials. For this at the one hand experimental methods of the two-dimensional X-ray diffraction were applied as well as at the other hand theoretical calculations performed by means of analytical and numerical modeling approaches. The interest for the material is founded on the fact that ultrafine-granular materials because of their mechanical propertier (for instance hardness, ductility) ar to be stressed for advanced engineering application purposes. Furthermore the application of many-phase gradient materials makes to some extent possible a manufacture for measure concerning physical properties and by this a manifold of application potentials as well as a tuning of the material properties to the differential requirements in the application fields. This measure tailoring is related both to the degree of gradiation and to the special composition of the composite materials by the chosen starting materials. The work performed in the framework of the excellence cluster ''European Centre for Emerging Materials and Processes Dresden (ECEMP)'' of the Saxonian excellence initiative aimed especially to the analysis of an especially processed, ultrafine-granular Ti/Al composite, which was and is research object of the partial ECEMP project ''High strength metallic composites'' (HSMetComp). Thereby were process as well as materials in the focus of the above mentioned (indirect) examination methods. which were adapted and further developed for these purposes. The results of the experimental as well as theoretical studies could contribute to an increased understanding of the technological process as well as the material behaviour and can by this also used for hints concerning process- and/or material-sided optimizations. Altogether they

  5. One-pot Synthesis of Soluble Nanoscale CIGS Photoactive Functional Materials

    Directory of Open Access Journals (Sweden)

    Yan Aixia

    2007-01-01

    Full Text Available Abstract Promising alternatives for solar energy utilization are thin film technologies involving various new materials. This contribution describes an easy and inexpensive synthetic method that can be used to prepare soluble nanoscale triphenyl phosphine-coordinated CIGS (TPP-CIGS photoactive functional materials. This complex is stable in the solid state under the irradiation of the ambient light, but its solution becomes a little bit unstable under the illumination of the low intensity laser.

  6. SANS-polymer and functional materials with neutron in Indonesia. Progress report on the collaboration activities?

    International Nuclear Information System (INIS)

    Ikram, A.; Gunawan; Sukirman, E.; Ridwan; Jahja, A.K.

    2000-01-01

    Activities on SANS-polymer collaboration program are reported. This paper presents SANS-data from Sodium Dodecyl Sulphate that have been obtained using BATAN's SANS machine in Serpong. Reports are also presented about activities in the groups for functional materials structural determination which includes magnetic, HTc superconducting and superionic conducting materials. Discussions are also given towards the way the collaboration activities were carried out in the last three years as well as impact of neutron scattering facility conditions in Indonesia. (author)

  7. Portable Thermoelectric Power Generator Coupled with Phase Change Material

    OpenAIRE

    Lim Chong C.; Al-Kayiem Hussain H.; Sing Chin Y.

    2014-01-01

    Solar is the intermittent source of renewable energy and all thermal solar systems having a setback on non-functioning during the night and cloudy environment. This paper presents alternative solution for power generation using thermoelectric which is the direct conversion of temperature gradient of hot side and cold side of thermoelectric material to electric voltage. Phase change material with latent heat effect would help to prolong the temperature gradient across thermoelectric material f...

  8. Perceptions of Sustainability and Functional Aspects on Liquid Carton Board Packaging Materials versus Competing Materials for Juice Applications in Sweden

    Directory of Open Access Journals (Sweden)

    Carl Olsmats

    2015-08-01

    Full Text Available This research explores the downstream perceptions of liquid carton board versus competing materials in packaging applications for juice. The methodology used is focus groups. The context is sustainability and functional performance, and related potential implications for the beverage industry value chain. The purpose is to get a deeper insight and understanding of functionality in relation to juice beverage packaging. The results confirm that there is no optimal packaging for every juice product, but a multitude, depending on the distribution channel, retail outlet, customer preferences, and context of consumption. There are some general packaging preferences, but the main deciding criteria for purchase seem to be the product characteristics in terms of quality, taste, brand, price and shelf life. For marketing reasons, packaging has to be adopted to the product and its positioning, liquid carton board packaging seem to have some functional advantages in distribution and is considered as sustainable and functional among many consumers. Major drawbacks seem to be shape limitations, lack of transparency, and lack of a “premium look”. To improve packaging performance and avoid sub-optimization, actors in the beverage industry value chain need to be integrated in development processes.

  9. Techniques for developing reliable and functional materials control and accounting software

    International Nuclear Information System (INIS)

    Barlich, G.

    1988-01-01

    The media has increasingly focused on failures of computer systems resulting in financial, material, and other losses and on systems failing to function as advertised. Unfortunately, such failures with equally disturbing losses are possible in computer systems providing materials control and accounting (MCandA) functions. Major improvements in the reliability and correctness of systems are possible with disciplined design and development techniques applied during software development. This paper describes some of the techniques used in the Safeguard Systems Group at Los Alamos National Laboratory for various MCandA systems

  10. A facile route to ketene-functionalized polymers for general materials applications

    Science.gov (United States)

    Leibfarth, Frank A.; Kang, Minhyuk; Ham, Myungsoo; Kim, Joohee; Campos, Luis M.; Gupta, Nalini; Moon, Bongjin; Hawker, Craig J.

    2010-03-01

    Function matters in materials science, and methodologies that provide paths to multiple functionality in a single step are to be prized. Therefore, we introduce a robust and efficient strategy for exploiting the versatile reactivity of ketenes in polymer chemistry. New monomers for both radical and ring-opening metathesis polymerization have been developed, which take advantage of Meldrum's acid as both a synthetic building block and a thermolytic precursor to dialkyl ketenes. The ketene-functionalized polymers are directly detected by their characteristic infrared absorption and are found to be stable under ambient conditions. The inherent ability of ketenes to provide crosslinking via dimerization and to act as reactive chemical handles via addition, provides simple methodology for application in complex materials challenges. Such versatile characteristics are illustrated by covalently attaching and patterning a dye through microcontact printing. The strategy highlights the significant opportunities afforded by the traditionally neglected ketene functional group in polymer chemistry.

  11. Experimental Measurement of Relative Permeability Functions for Fuel Cell GDL Materials

    KAUST Repository

    Hussaini, Irfan; Wang, Chao-Yang

    2009-01-01

    Gas diffusion layer in PEM fuel cells plays a pivotal role in water management. Modeling of liquid water transport through the GDL relies on knowledge of relative permeability functions in the in-plane and through-plane directions. In the present work, air and water relative permeabilities are experimentally determined as functions of saturation for typical GDL materials such as Toray-060, -090, -120 carbon paper and E-Tek carbon cloth materials in their plain, untreated forms. Saturation is measured using an ex-situ gravimetric method. Absolute and relative permeability functions in the two directions of interest are presented. Significant departure from the generally assumed cubic function of saturation is observed. ©The Electrochemical Society.

  12. The Structural Characterisation of Risk in the R&D Process of Functional Raw Materials for Electronic Devices

    OpenAIRE

    Chikamori, Yoji; Nasu, Seigo

    2017-01-01

    The electronic materials and electronics device industries remain important to Japan in spite of the general decline of the Japanese electronics industry. There is risk and uncertainty when developing functional materials in the electronics industry. However, studies examining the uncertainty and risk variables in the development of functional materials are scarce. This study examines incremental research and development (R&D) developed for raw functional materials for electronics. Our analys...

  13. Versatile gradients of chemistry, bound ligands and nanoparticles on alumina nanopore arrays

    International Nuclear Information System (INIS)

    Michelmore, Andrew; Poh, Zihan; Goreham, Renee V; Short, Robert D; Vasilev, Krasimir; Mierczynska, Agnieszka; Losic, Dusan

    2011-01-01

    Nanoporous alumina (PA) arrays produced by self-ordering growth, using electrochemical anodization, have been extensively explored for potential applications based upon the unique thermal, mechanical and structural properties, and high surface-to-volume ratio of these materials. However, the potential applications and functionality of these materials may be further extended by molecular-level engineering of the surface of the pore rims. In this paper we present a method for the generation of chemical gradients on the surface of PA arrays based upon plasma co-polymerization of two monomers. We further extend these chemical gradients, which are also gradients of surface charge, to those of bound ligands and number density gradients of nanoparticles. The latter represent a highly exotic new class of materials, comprising aligned PA, capped by gold nanoparticles around the rim of the pores. Gradients of chemistry, ligands and nanoparticles generated by our method retain the porous structure of the substrate, which is important in applications that take advantage of the inherent properties of these materials. This method can be readily extended to other porous materials.

  14. Versatile gradients of chemistry, bound ligands and nanoparticles on alumina nanopore arrays

    Energy Technology Data Exchange (ETDEWEB)

    Michelmore, Andrew; Poh, Zihan; Goreham, Renee V; Short, Robert D; Vasilev, Krasimir [Mawson Institute, University of South Australia, Mawson Lakes, SA 5095, Adelaide (Australia); Mierczynska, Agnieszka; Losic, Dusan, E-mail: Krasimir.vasilev@unisa.edu.au [Ian Wark Research Institute, University of South Australia, Mawson Lakes, SA 5095, Adelaide (Australia)

    2011-10-14

    Nanoporous alumina (PA) arrays produced by self-ordering growth, using electrochemical anodization, have been extensively explored for potential applications based upon the unique thermal, mechanical and structural properties, and high surface-to-volume ratio of these materials. However, the potential applications and functionality of these materials may be further extended by molecular-level engineering of the surface of the pore rims. In this paper we present a method for the generation of chemical gradients on the surface of PA arrays based upon plasma co-polymerization of two monomers. We further extend these chemical gradients, which are also gradients of surface charge, to those of bound ligands and number density gradients of nanoparticles. The latter represent a highly exotic new class of materials, comprising aligned PA, capped by gold nanoparticles around the rim of the pores. Gradients of chemistry, ligands and nanoparticles generated by our method retain the porous structure of the substrate, which is important in applications that take advantage of the inherent properties of these materials. This method can be readily extended to other porous materials.

  15. Acoustic Emission based on sentry function to monitor the initiation of delamination in composite materials

    International Nuclear Information System (INIS)

    Bakhtiary Davijani, A.A.; Hajikhani, M.; Ahmadi, M.

    2011-01-01

    Research highlights: → Constant load does not confirm constant damage in composite materials. → Different damages have different AE events. → Sentry function is a useful tool to monitor the initiation of damage in delamination. → The less sentry function number is the more damage the material has endured. -- Abstract: Delamination is the most common failure mode in composite materials, since it will result in the reduction of stiffness and can grow throughout other layers. Delamination is consisted of two main stages including initiation and propagation. Understanding the behavior of the material in these zones is very important, hence it has been thoroughly studied by different methods such as numerical methods, Acoustic Emission (AE), and modeling. Between these two regions initiation is a more vital stage in the delamination of the material. Once initiation occurs, which normally requires greater amount of force, cracks can easily propagate through the structure with little force and cause the failure of the structure. A better knowledge of initiation can lead to better design and production of stronger materials. Additionally, more knowledge about crack initiation and its internal microevents would help improve other parameters and result in higher strength against crack initiation. AE is a suitable method for in situ monitoring of damage in composite materials. In this study, AE was applied to test different glass/epoxy specimens which were loaded under mode I delamination. A function that combines AE and mechanical information is employed to investigate the initiation of delamination. Scanning electron microscope (SEM) was used to verify the results of this function. It is shown that this method is an appropriate technique to monitor the behavior of the initiation of delamination.

  16. Comparison of genetic algorithms with conjugate gradient methods

    Science.gov (United States)

    Bosworth, J. L.; Foo, N. Y.; Zeigler, B. P.

    1972-01-01

    Genetic algorithms for mathematical function optimization are modeled on search strategies employed in natural adaptation. Comparisons of genetic algorithms with conjugate gradient methods, which were made on an IBM 1800 digital computer, show that genetic algorithms display superior performance over gradient methods for functions which are poorly behaved mathematically, for multimodal functions, and for functions obscured by additive random noise. Genetic methods offer performance comparable to gradient methods for many of the standard functions.

  17. Composite materials comprising two jonal functions and methods for making the same

    Science.gov (United States)

    Fareed, Ali Syed; Garnier, John Edward; Schiroky, Gerhard Hans; Kennedy, Christopher Robin; Sonuparlak, Birol

    2001-01-01

    The present invention generally relates to mechanisms for preventing undesirable oxidation (i.e., oxidation protection mechanisms) in composite bodies. The oxidation protection mechanisms include getterer materials which are added to the composite body which gather or scavenge undesirable oxidants which may enter the composite body. The getterer materials may be placed into at least a portion of the composite body such that any undesirable oxidant approaching, for example, a fiber reinforcement, would be scavenged by (e.g., reacted with) the getterer. The getterer materials) may form at least one compound which acts as a passivation layer, and/or is able to move by bulk transport (e.g., by viscous flow as a glassy material) to a crack, and sealing the crack, thereby further enhancing the oxidation protection of the composite body. One or more ceramic filler materials which serve as reinforcements may have a plurality of super-imposed coatings thereon, at least one of which coatings may function as or contain an oxidation protection mechanism. Specifically, a coating comprising boron nitride which has been engineered or modified to contain some silicon exhibits improved corrosion resistance, specifically to oxygen and moisture. The coated materials may be useful as reinforcing materials in high performance composites to provide improved mechanical properties such as fracture toughness. The present invention also relates to improved composites which incorporate these materials, and to their methods of manufacture.

  18. Thermochemical Storage of Middle Temperature Wasted Heat by Functionalized C/Mg(OH2 Hybrid Materials

    Directory of Open Access Journals (Sweden)

    Emanuela Mastronardo

    2017-01-01

    Full Text Available For the thermochemical performance implementation of Mg(OH2 as a heat storage medium, several hybrid materials have been investigated. For this study, high-performance hybrid materials have been developed by exploiting the authors’ previous findings. Expanded graphite (EG/carbon nanotubes (CNTs-Mg(OH2 hybrid materials have been prepared through Mg(OH2 deposition-precipitation over functionalized, i.e., oxidized, or un-functionalized EG or CNTs. The heat storage performances of the carbon-based hybrid materials have been investigated through a laboratory-scale experimental simulation of the heat storage/release cycles, carried out by a thermogravimetric apparatus. This study offers a critical evaluation of the thermochemical performances of developed materials through their comparison in terms of heat storage and output capacities per mass and volume unit. It was demonstrated that both EG and CNTs improves the thermochemical performances of the storage medium in terms of reaction rate and conversion with respect to pure Mg(OH2. With functionalized EG/CNTs-Mg(OH2, (i the potential heat storage and output capacities per mass unit of Mg(OH2 have been completely exploited; and (ii higher heat storage and output capacities per volume unit were obtained. That means, for technological applications, as smaller volume at equal stored/released heat.

  19. Fabrication and electrocatalytic application of functionalized nanoporous carbon material with different transition metal oxides

    International Nuclear Information System (INIS)

    Samiee, L.; Shoghi, F.; Vinu, A.

    2013-01-01

    Highlights: ► Fabrication of highly ordered functionalized nanoporous carbon material with different types of transition metal oxides. ► Novel electrocatalytic activity of functionalized nanoporous carbon material. ► Simultaneous effect of surface area and surface reactivity parameters on electrocatalytic activity. - Abstract: In the work presented here, an attempt is made to study the effect of functionalization with different transition metal oxides on the mesostructural properties as well as electrochemical behavior of Pt/nanoporous carbon supports. In this respect, the functionalized samples have been synthesized by using CMK-3 and metallocene as transition metal sources. The platinum catalysts (5 wt% Pt) obtained through a conventional wet impregnation method. All the materials have been characterized by XRD (low and high), N 2 adsorption–desorption isotherms, high-resolution transmission electron microscopy, high-resolution field emission scanning electron, EDX mapping images and cyclic voltammetry (CV) and rotating disk electrode (RDE) techniques. The results showed that the mesostructural order has been destroyed by functionalization of CMK-3 with CoO, whereas it is not that much affected in NiO and CuO functionalized samples. EDX image mapping exhibited the good and uniform dispersion of functionalizing elements (Ni, Cu, Fe and Co), Pt in the carbon supports. Moreover, XRD studies revealed the formation of smaller platinum crystallite sizes in NiO and CuO functionalized samples in relative to other functionalized supports. Electrochemical measurements were performed using CV and RDE method. Kinetic analysis revealed an activity increases in the following order: CMK-3-NiO-Pt > CMK-3-CuO-Pt > CMK-3-CoO-Pt > CMK-3-Fe 2 O 3 -Pt which is showing of simultaneous effect of surface area and surface reactivity parameters.

  20. Fabrication and electrocatalytic application of functionalized nanoporous carbon material with different transition metal oxides

    Energy Technology Data Exchange (ETDEWEB)

    Samiee, L., E-mail: Leila.Samiee83@gmail.com [Development and Optimization of Energy Technologies Research Division, Research Institute of Petroleum Industry (RIPI), West Boulevard, Near Azadi Sports Complex, Tehran (Iran, Islamic Republic of); Shoghi, F. [Development and Optimization of Energy Technologies Research Division, Research Institute of Petroleum Industry (RIPI), West Boulevard, Near Azadi Sports Complex, Tehran (Iran, Islamic Republic of); Vinu, A., E-mail: a.vinu@uq.edu.au [Australian Institute for Bioengineering and Nanotechnology(AIBN), University of Queensland, Corner College and Cooper Roads (Bld75), Brisbane, Qld 4072 (Australia)

    2013-01-15

    Highlights: Black-Right-Pointing-Pointer Fabrication of highly ordered functionalized nanoporous carbon material with different types of transition metal oxides. Black-Right-Pointing-Pointer Novel electrocatalytic activity of functionalized nanoporous carbon material. Black-Right-Pointing-Pointer Simultaneous effect of surface area and surface reactivity parameters on electrocatalytic activity. - Abstract: In the work presented here, an attempt is made to study the effect of functionalization with different transition metal oxides on the mesostructural properties as well as electrochemical behavior of Pt/nanoporous carbon supports. In this respect, the functionalized samples have been synthesized by using CMK-3 and metallocene as transition metal sources. The platinum catalysts (5 wt% Pt) obtained through a conventional wet impregnation method. All the materials have been characterized by XRD (low and high), N{sub 2} adsorption-desorption isotherms, high-resolution transmission electron microscopy, high-resolution field emission scanning electron, EDX mapping images and cyclic voltammetry (CV) and rotating disk electrode (RDE) techniques. The results showed that the mesostructural order has been destroyed by functionalization of CMK-3 with CoO, whereas it is not that much affected in NiO and CuO functionalized samples. EDX image mapping exhibited the good and uniform dispersion of functionalizing elements (Ni, Cu, Fe and Co), Pt in the carbon supports. Moreover, XRD studies revealed the formation of smaller platinum crystallite sizes in NiO and CuO functionalized samples in relative to other functionalized supports. Electrochemical measurements were performed using CV and RDE method. Kinetic analysis revealed an activity increases in the following order: CMK-3-NiO-Pt > CMK-3-CuO-Pt > CMK-3-CoO-Pt > CMK-3-Fe{sub 2}O{sub 3}-Pt which is showing of simultaneous effect of surface area and surface reactivity parameters.

  1. Research on Free Vibration Frequency Characteristics of Rotating Functionally Graded Material Truncated Conical Shells with Eccentric Functionally Graded Material Stringer and Ring Stiffeners

    Directory of Open Access Journals (Sweden)

    Dao Van Dung

    Full Text Available Abstract In this research work, an exact analytical solution for frequency characteristics of the free vibration of rotating functionally graded material (FGM truncated conical shells reinforced by eccentric FGM stringers and rings has been investigated by the displacement function method. Material properties of shell and stiffeners are assumed to be graded in the thickness direction according to a simple power law distribution. The change of spacing between stringers is considered. Using the Donnell shell theory, Leckhnisky smeared stiffeners technique and taking into account the influences of centrifugal force and Coriolis acceleration the governing equations are derived. For stiffened FGM conical shells, it is difficult that free vibration equations are a couple set of three variable coefficient partial differential equations. By suitable transformations and applying Galerkin method, this difficulty is overcome in the paper. The sixth order polynomial equation for w is obtained and it is used to analyze the frequency characteristics of rotating ES-FGM conical shells. Effects of stiffener, geometrics parameters, cone angle, vibration modes and rotating speed on frequency characteristics of the shell forward and backward wave are discussed in detail. The present approach proves to be reliable and accurate by comparing with published results available in the literature.

  2. Green nesting material has a function in mate attraction in the European starling

    NARCIS (Netherlands)

    Komdeur, J

    The function of fresh green nest material has long been debated. It has been suggested that it reduces the number of ectoparasites in nests and on nestlings (nest protection hypothesis), or is used by males to signal condition and paternal quality (male quality hypothesis) or is used as a sexually

  3. An Evaluation of the Materialization of the Latent Functions of Education According to Student Perceptions

    Science.gov (United States)

    Aydogan, Ismail

    2009-01-01

    The problem of the study centers on determining the level to which such latent functions of education are materialized for university graduates. The study was conducted on a total of 231 graduate students undertaking a thesis or non-thesis Master's degree at Erciyes University School of Social Sciences. Data was collected by using a questionnaire…

  4. Patterning functional materials using channel diffused plasma-etched self-assembled monolayer templates

    NARCIS (Netherlands)

    George, A.; Maijenburg, A.W.; Maas, M.G.; Blank, David H.A.; ten Elshof, Johan E.

    2011-01-01

    A simple and cost-effective methodology for large-area micrometer-scale patterning of a wide range of metallic and oxidic functional materials is presented. Self-assembled monolayers (SAM) of alkyl thiols on Au were micropatterned by channel-diffused oxygen plasma etching, a method in which selected

  5. Evaluation of functional substances in the selected food materials for space agriculture

    Science.gov (United States)

    Tomita-Yokotani, Kaori; Kimura, Yasuko; Yamashita, Masamichi; Kimura, Shunta; Sato, Seigo; Katoh, Hiroshi; Abe, Yusuke; Ajioka, Reiko

    We have been studying the useful life-support system in closed bio-ecosystem for space agriculture. We have already proposed the several species as food material, such as Nostoc sp. HK-01 and Prunnus sp., cyanobacterium and Japanese cherry tree, respectively. The cyanobacterium, Nostoc sp Hk-01, has high tolerances to several space environment. Furthermore, the woody plant materials have useful utilization elements in our habitation environment. The studies of woody plants under a space-environment in the vegetable kingdom have a high contribution to the study of various and exotic environmental responses, too. We have already found that they can produce the important functional substances for human. Here, we will show the evaluation of functional substances in the selected food materials under the possible conditions for space agriculture after cooking.

  6. Exploration of new superconductors and functional materials, and fabrication of superconducting tapes and wires of iron pnictides.

    Science.gov (United States)

    Hosono, Hideo; Tanabe, Keiichi; Takayama-Muromachi, Eiji; Kageyama, Hiroshi; Yamanaka, Shoji; Kumakura, Hiroaki; Nohara, Minoru; Hiramatsu, Hidenori; Fujitsu, Satoru

    2015-06-01

    This review shows the highlights of a 4-year-long research project supported by the Japanese Government to explore new superconducting materials and relevant functional materials. The project found several tens of new superconductors by examining ∼1000 materials, each of which was chosen by Japanese experts with a background in solid state chemistry. This review summarizes the major achievements of the project in newly found superconducting materials, and the fabrication wires and tapes of iron-based superconductors; it incorporates a list of ∼700 unsuccessful materials examined for superconductivity in the project. In addition, described are new functional materials and functionalities discovered during the project.

  7. $L_{0}$ Gradient Projection.

    Science.gov (United States)

    Ono, Shunsuke

    2017-04-01

    Minimizing L 0 gradient, the number of the non-zero gradients of an image, together with a quadratic data-fidelity to an input image has been recognized as a powerful edge-preserving filtering method. However, the L 0 gradient minimization has an inherent difficulty: a user-given parameter controlling the degree of flatness does not have a physical meaning since the parameter just balances the relative importance of the L 0 gradient term to the quadratic data-fidelity term. As a result, the setting of the parameter is a troublesome work in the L 0 gradient minimization. To circumvent the difficulty, we propose a new edge-preserving filtering method with a novel use of the L 0 gradient. Our method is formulated as the minimization of the quadratic data-fidelity subject to the hard constraint that the L 0 gradient is less than a user-given parameter α . This strategy is much more intuitive than the L 0 gradient minimization because the parameter α has a clear meaning: the L 0 gradient value of the output image itself, so that one can directly impose a desired degree of flatness by α . We also provide an efficient algorithm based on the so-called alternating direction method of multipliers for computing an approximate solution of the nonconvex problem, where we decompose it into two subproblems and derive closed-form solutions to them. The advantages of our method are demonstrated through extensive experiments.

  8. AFM characterization of nonwoven material functionalized by ZnO sputter coating

    International Nuclear Information System (INIS)

    Deng Bingyao; Yan Xiong; Wei Qufu; Gao Weidong

    2007-01-01

    Sputter coatings provide new approaches to the surface functionalization of textile materials. In this study, polyethylene terephthalate (PET) nonwoven material was used as a substrate for creating functional nanostructures on the fiber surfaces. A magnetron sputter coating was used to deposit functional zinc oxide (ZnO) nanostructures onto the nonwoven substrate. The evolution of the surface morphology of the fibers in the nonwoven web was examined using atomic force microscopy (AFM). The AFM observations revealed a significant difference in the morphology of the fibers before and after the sputter coating. The AFM images also indicated the effect of the sputtering conditions on the surface morphology of the fibers. The increase in the sputtering time led to the growth of the ZnO grains on the fiber surfaces. The higher pressure in the sputtering chamber could cause the formation of larger grains on the fiber surfaces. The higher power used also generated larger grains on the fiber surfaces

  9. Evaluation of Rosin Gum and Eudragit® RS PO as a Functional Film Coating Material.

    Science.gov (United States)

    Pomin, Suélen Plaza; de Lima, Isabela Angeli; Pezarini, Rogério Ribeiro; Cavalcanti, Osvaldo Albuquerque

    2017-11-01

    Polymers are essential tools in the research and development of new therapeutic devices. The diversity and flexibility of these materials have generated high expectations in the composition of new materials with extraordinary abilities, especially in the design of new systems for the modified release of pharmaceutically active ingredients. The natural polymer rosin features moisture protection and pH-dependent behavior (i.e., it is sensitive to pH > 7.0), suggesting its possible use in pharmaceutical systems. The synthetic polymer Eudragit® RS PO is a low-permeability material, the disintegration of which depends on the time of residence in the gastrointestinal tract. The present study developed a polymeric material with desirable physicochemical characteristics and synergistic effects that resulted from the inherent properties of the associated polymers. Isolated films were obtained by solvent evaporation and subjected to a water vapor transmission test, scanning electron microscopy, calorimetry, Fourier transform-infrared (FT-IR) spectroscopy, micro-Raman spectroscopy, and mechanical analysis. The new polymeric material was macroscopically continuous and homogeneous, was appropriately flexible, had low water permeability, was vulnerable in alkaline environments, and was thermally stable, maintaining an unchanged structure up to temperatures of ∼400°C. The new material also presented potentially suitable characteristics for application in film coatings for oral solids, suggesting that it is capable of carrying therapeutic substances to distal regions of the gastrointestinal tract. These findings indicate that this new material may be added to the list of functional excipients.

  10. Quasistatic nonlinear viscoelasticity and gradient flows

    OpenAIRE

    Ball, John M.; Şengül, Yasemin

    2014-01-01

    We consider the equation of motion for one-dimensional nonlinear viscoelasticity of strain-rate type under the assumption that the stored-energy function is λ-convex, which allows for solid phase transformations. We formulate this problem as a gradient flow, leading to existence and uniqueness of solutions. By approximating general initial data by those in which the deformation gradient takes only finitely many values, we show that under suitable hypotheses on the stored-energy function the d...

  11. Graphene-based hybrid structures combined with functional materials of ferroelectrics and semiconductors.

    Science.gov (United States)

    Jie, Wenjing; Hao, Jianhua

    2014-06-21

    Fundamental studies and applications of 2-dimensional (2D) graphene may be deepened and broadened via combining graphene sheets with various functional materials, which have been extended from the traditional insulator of SiO2 to a versatile range of dielectrics, semiconductors and metals, as well as organic compounds. Among them, ferroelectric materials have received much attention due to their unique ferroelectric polarization. As a result, many attractive characteristics can be shown in graphene/ferroelectric hybrid systems. On the other hand, graphene can be integrated with conventional semiconductors and some newly-discovered 2D layered materials to form distinct Schottky junctions, yielding fascinating behaviours and exhibiting the potential for various applications in future functional devices. This review article is an attempt to illustrate the most recent progress in the fabrication, operation principle, characterization, and promising applications of graphene-based hybrid structures combined with various functional materials, ranging from ferroelectrics to semiconductors. We focus on mechanically exfoliated and chemical-vapor-deposited graphene sheets integrated in numerous advanced devices. Some typical hybrid structures have been highlighted, aiming at potential applications in non-volatile memories, transparent flexible electrodes, solar cells, photodetectors, and so on.

  12. Scale-up of nature’s tissue weaving algorithms to engineer advanced functional materials

    Science.gov (United States)

    Ng, Joanna L.; Knothe, Lillian E.; Whan, Renee M.; Knothe, Ulf; Tate, Melissa L. Knothe

    2017-01-01

    We are literally the stuff from which our tissue fabrics and their fibers are woven and spun. The arrangement of collagen, elastin and other structural proteins in space and time embodies our tissues and organs with amazing resilience and multifunctional smart properties. For example, the periosteum, a soft tissue sleeve that envelops all nonarticular bony surfaces of the body, comprises an inherently “smart” material that gives hard bones added strength under high impact loads. Yet a paucity of scalable bottom-up approaches stymies the harnessing of smart tissues’ biological, mechanical and organizational detail to create advanced functional materials. Here, a novel approach is established to scale up the multidimensional fiber patterns of natural soft tissue weaves for rapid prototyping of advanced functional materials. First second harmonic generation and two-photon excitation microscopy is used to map the microscopic three-dimensional (3D) alignment, composition and distribution of the collagen and elastin fibers of periosteum, the soft tissue sheath bounding all nonarticular bone surfaces in our bodies. Then, using engineering rendering software to scale up this natural tissue fabric, as well as multidimensional weaving algorithms, macroscopic tissue prototypes are created using a computer-controlled jacquard loom. The capacity to prototype scaled up architectures of natural fabrics provides a new avenue to create advanced functional materials.

  13. Assessment report on the development of functionally inclined material; Keisha kinosei zairyo no kaihatsu hyoka hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2000-03-01

    Concerning a project whose aim is to develop heat resistant engine members through the application of the concept of functionally inclined materials, deliberation and assessment are made of the meaning of its implementation, validity of the research program, research achievement, etc. The project deals with a specimen, diameter 150mm or more and thickness 5mm or more, built of a zirconia/stainless steel-based functionally inclined material, and its goal is to develop technologies for optimizing the baking process for the said specimen, baking system and related devices, assessment technique, tribological assessment technique, etc., and it is inferred that these targets are reasonable. As the result of this research, an energy-efficient (power consumption reduced to 1/3 to 1/5) practical rapid sintering system is constructed. Basic data are collected relative to the tribology of the functionally inclined material, and it is proved that it is feasible to use the material for engine members. The process technology, assessment technology, and devices developed under this project are the first in the world, and are highly evaluated. (NEDO)

  14. Can matter mark the hours? Eighteenth-century vitalist materialism and functional properties.

    Science.gov (United States)

    Kaitaro, Timo

    2008-12-01

    Eighteenth-century Montpellerian vitalism and contemporaneous French "vitalist" materialism, exemplified by the medical and biological materialism of La Mettrie and Diderot, differ in some essential aspects from some later forms of vitalism that tended to postulate immaterial vital principles or forces. This article examines the arguments defending the existence of vital properties in living organisms presented in the context of eighteenth-century French materialism. These arguments had recourse to technological metaphors and analogies, mainly clockworks, in order to claim that just as machines can have functional properties which its parts do not possess (e.g., showing time), so living organisms can, as material entities, also have organic or vital properties which its material parts do not possess. Such arguments, with the help of a healthy dose of epistemological scepticism, tend to strike a balance between two positions concerning the ontology of life which we now tend to label "vitalism" and "emergentism." Although there is nothing inconsistent in viewing vital properties as emergent, some ambiguity results if one does not draw a clear distinction between properties and functions. The philosophical problems related to these ambiguities are revealed in Diderot's apparent hesitation concerning sentience as "a general property of matter or the product of organization."

  15. Identification of material properties of orthotropic composite plate using experimental frequency response function data

    Science.gov (United States)

    Tam, Jun Hui; Ong, Zhi Chao; Ismail, Zubaidah; Ang, Bee Chin; Khoo, Shin Yee

    2018-05-01

    The demand for composite materials is increasing due to their great superiority in material properties, e.g., lightweight, high strength and high corrosion resistance. As a result, the invention of composite materials of diverse properties is becoming prevalent, and thus, leading to the development of material identification methods for composite materials. Conventional identification methods are destructive, time-consuming and costly. Therefore, an accurate identification approach is proposed to circumvent these drawbacks, involving the use of Frequency Response Function (FRF) error function defined by the correlation discrepancy between experimental and Finite-Element generated FRFs. A square E-glass epoxy composite plate is investigated under several different configurations of boundary conditions. It is notable that the experimental FRFs are used as the correlation reference, such that, during computation, the predicted FRFs are continuously updated with reference to the experimental FRFs until achieving a solution. The final identified elastic properties, namely in-plane elastic moduli, Ex and Ey, in-plane shear modulus, Gxy, and major Poisson's ratio, vxy of the composite plate are subsequently compared to the benchmark parameters as well as with those obtained using modal-based approach. As compared to the modal-based approach, the proposed method is found to have yielded relatively better results. This can be explained by the direct employment of raw data in the proposed method that avoids errors that might incur during the stage of modal extraction.

  16. Design of Stratified Functional Nanoporous Materials for CO2 Capture and Conversion

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, J. Karl [Univ. of Pittsburgh, PA (United States); Ye, Jingyun [Univ. of Pittsburgh, PA (United States)

    2017-10-03

    The objective of this project is to develop novel nanoporous materials for CO2 capture and conversion. The motivation of this work is that capture of CO2 from flue gas or the atmosphere coupled with catalytic hydrogenation of CO2 into valuable chemicals and fuels can reduce the net amount of CO2 in the atmosphere while providing liquid transportation fuels and other commodity chemicals. One approach to increasing the economic viability of carbon capture and conversion is to design a single material that can be used for both the capture and catalytic conversion of CO2, because such a material could increase efficiency through process intensification. We have used density functional theory (DFT) methods to design catalytic moieties that can be incorporated into various metal organic framework (MOF) materials. We chose to work with MOFs because they are highly tailorable, can be functionalized, and have been shown to selectively adsorb CO2 over N2, which is a requirement for CO2 capture from flue gas. Moreover, the incorporation of molecular catalytic moieties into MOF, through covalent bonding, produces a heterogeneous catalytic material having activities and selectivities close to those of homogeneous catalysts, but without the draw-backs associated with homogeneous catalysis.

  17. Soft X-ray excited optical luminescence from functional organic materials

    Energy Technology Data Exchange (ETDEWEB)

    Sham, T.K., E-mail: tsham@uwo.ca

    2015-10-01

    Highlights: • Many functional organic materials convert X-ray energy into visible light. • The X-ray induced luminescence (XEOL) across an absorption edge can be site and excitation channel specific. • XEOL is composition, morphology, size and crystallinity dependent. • XEOL using the time structure of a synchrotron can reveal the decay and energy transfer dynamics of the sample. • The combined use of XEOL and XAS in the analysis of functional organic materials is illustrated. - Abstract: This brief report reviews some of the recent findings in the study of synchrotron based X-ray excited optical luminescence (XEOL) from representative organic light emitting device (OLED) and related functional organic materials. The systems of interest include Alq{sub 3}, aluminium tris(8-hydroxylquinoline); Ru(bipy){sub 3}{sup 2+}, tris-(2,2-bipyridine) ruthenium(II); Ir(bpy){sub 3}, tris(2-phenyl-bipyridine)iridium; PVK (poly(N-vinylcarbazole)) and [Au{sub 2}(dppe)(bipy)]{sup 2+}, a Au(I) polymer containing 1,2-bis(diphenylphosphino)ethane and the 4,40-bipyridyl ligands, as well as TBPe (2,5,8,11-tetra-tert-butylperylene) polyhedral crystals and fluorescein isothiocyanate (FITC) and FITC-labelled proteins. It is shown that tunable and pulsed X-rays from synchrotron light sources enable the detailed tracking of the optical properties of organic functional materials by monitoring the luminescence in both the energy and time domain as the excitation energy is scanned across an element-specific absorption edge. The use of XEOL and X-ray absorption spectroscopy (XAS) in materials analysis is illustrated.

  18. Bulletin of Materials Science | News

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 25; Issue 6. Issue front cover thumbnail. Volume 25, Issue 6. November 2002, pages 449-582. pp 449- .... Bi-layer functionally gradient thick film semiconducting methane sensors .... Thermal sensor properties of PANI(EB)–CSA ( = 0.4 ± 0.1 mol) polymer thin films.

  19. Photosensitive self-assembling materials as functional dopants for organic photovoltaic cells

    Czech Academy of Sciences Publication Activity Database

    Bubnov, Alexej; Iwan, A.; Cigl, Martin; Boharewicz, B.; Tazbir, I.; Wójcik, K.; Sikora, A.; Hamplová, Věra

    2016-01-01

    Roč. 6, č. 14 (2016), s. 11577-11590 ISSN 2046-2069 R&D Projects: GA MŠk 7AMB13PL041; GA MŠk(CZ) LD14007; GA ČR GA15-02843S Grant - others:EU - ICT(XE) COST Action IC1208 Institutional support: RVO:68378271 Keywords : self-assembling materials * functional dopants * organic photovoltaic cells * azo group * liquid crystal Subject RIV: JI - Composite Materials Impact factor: 3.108, year: 2016

  20. Carbon-Based Nanomaterials: Multi-Functional Materials for Biomedical Engineering

    Science.gov (United States)

    Cha, Chaenyung; Shin, Su Ryon; Annabi, Nasim; Dokmeci, Mehmet R.; Khademhosseini, Ali

    2013-01-01

    Functional carbon-based nanomaterials (CBNs) have become important due to their unique combinations of chemical and physical properties (i.e., thermal and electrical conductivity, high mechanical strength, and optical properties), extensive research efforts are being made to utilize these materials for various industrial applications, such as high-strength materials and electronics. These advantageous properties of CBNs are also actively investigated in several areas of biomedical engineering. This Perspective highlights different types of carbon-based nanomaterials currently used in biomedical applications. PMID:23560817

  1. Triazole: a unique building block for the construction of functional materials.

    Science.gov (United States)

    Juríček, Michal; Kouwer, Paul H J; Rowan, Alan E

    2011-08-21

    Over the past 50 years, numerous roads towards carbon-based materials have been explored, all of them being paved using mainly one functional group as the brick: acetylene. The acetylene group, or the carbon-carbon triple bond, is one of the oldest and simplest functional groups in chemistry, and although not present in any of the naturally occurring carbon allotropes, it is an essential tool to access their synthetic carbon-rich family. In general, two strategies towards the synthesis of π-conjugated carbon-rich structures can be employed: (a) either the acetylene group serves as a building block to access acetylene-derived structures or (b) it serves as a synthetic tool to provide other, usually benzenoid, structures. The recently discovered copper-catalysed azide-alkyne cycloaddition (CuAAC) reaction, however, represents a new powerful alternative: it transforms the acetylene group into a five-membered heteroaromatic 1H-1,2,3-triazole (triazole) ring and this gives rise to new opportunities. Compared with all-carbon aromatic non-functional rings, the triazole ring possesses three nitrogen atoms and, thus, can serve as a ligand to coordinate metals, or as a hydrogen bond acceptor and donor. This Feature Article summarises examples of using the triazole ring to construct conjugation- and/or function-related heteroaromatic materials, such as tuneable multichromophoric covalent ensembles, macrocyclic receptors or responsive foldamers. These recent examples, which open a new sub-field within organic materials, started to appear only few years ago and represent "a few more bricks" on the road to carbon-rich functional materials. This journal is © The Royal Society of Chemistry 2011

  2. Radiation durability and functional reliability of polymeric materials in space systems

    International Nuclear Information System (INIS)

    Haruvy, Y.

    1990-01-01

    Polymeric materials are preferred for the light-weight construction of space-systems. Materials in space systems are required to fulfill a complete set of specifications, at utmost reliability, throughout the whole period of service in space, while being exposed to the hazardous influence of the space environment. The major threats of the space environment in orbits at the geostationary altitude (GSO) arise from ionizing radiations, the main constituents of which are highly energetic protons (affecting mainly the surface) and fast electrons (which produce the main threat to the electronic components). The maximum dose of ionizing radiation (within the limits of uncertainty of the calculations) at the surface of a material mounted on a space system, namely the ''Skin-Dose'', is ca. 2500 Mrads/yr. Space systems such as telecommunication satellites are planned to serve for prolonged periods of 30 years and longer. The cumulative predicted dose of ionizing-radiation over such periods presents a severe threat of chemical degradation to most of the polymeric construction materials commonly utilized in space systems. The reliability of each of the polymeric materials must be evaluated in detail, considering each of the relevant typical threats, such as ionizing-radiation, UV radiation, meteoroides flux, thermal cycling and ultra-high vacuum. For each of the exposed materials, conservation of the set of functional characteristics such as mechanical integrity, electrical and thermo-optical properties, electrical conductivity, surface charging and outgassing properties, which may cause contamination of neighboring systems, is evaluated. The reliability of functioning of the materials exposed to the space environment can thus be predicted, utilizing data from the literature, experimental results reported from space flights and laboratory simulations, and by chemical similarity of untested polymers to others. (author)

  3. Luminescent hybrid materials functionalized with lanthanide ethylenodiaminotetraacetate complexes containing β-diketonate as antenna ligands

    Energy Technology Data Exchange (ETDEWEB)

    Aguiar, Franklin P.; Costa, Israel F.; Espínola, José Geraldo P.; Faustino, Wagner M.; Moura, Jandeilson L. [Departamento de Química-Universidade Federal da Paraíba, 58051-970 João Pessoa, PB (Brazil); Brito, Hermi F.; Paolini, Tiago B. [Departamento de Química Fundamental-Instituto de Química da Universidade de São Paulo, 05508-900 São Paulo, SP (Brazil); Felinto, Maria Cláudia F.C. [Instituto de Pesquisas energéticas e Nucleares-IPEN, 05508-900 São Paulo, SP (Brazil); Teotonio, Ercules E.S., E-mail: teotonioees@quimica.ufpb.br [Departamento de Química-Universidade Federal da Paraíba, 58051-970 João Pessoa, PB (Brazil)

    2016-02-15

    Three organic–inorganic hybrid materials based on silica gel functionalized with (3-aminopropyl)trimethoxysilane (APTS), [3-(2-aminoetilamino)-propil]-trimetoxissilano (DAPTS) and 3-[2-(2-aminoetilamino)etilamino] propiltrimetoxysilane (TAPTS) and subsequently modified with EDTA derivative were prepared by nonhomogeneous route and were then characterized. The resulting materials named SilXN-EDTA (X=1 for APTS, 2 for DAPTS and 3 for TAPTS) were used to obtain new lanthanide Ln{sup 3+}-β-diketonate (Ln{sup 3+}=Eu{sup 3+}, Gd{sup 3+} and Tb{sup 3+}) complexes covalently linked to the functionalized silica gel surfaces (named SilXN-EDTALn-dik, dik=tta, dbm, bzac and acac). The photophysical properties of the new luminescent materials were investigated and compared with those with similar system presenting water molecules coordinated to the lanthanide ions, SilXN-EDTALn-H{sub 2}O. The SilXN-EDTAEu-dik and SilXN-EDTATb-dik systems displayed characteristic red and green luminescence when excited by UV radiation. Furthermore, the quantitative results showed that the emission quantum efficiency (η), experimental intensity parameters Ω{sub 2} and Ω{sub 4}, and Einstein's emission coefficient (A{sub 0J}) of the SilXN-EDTAEu-dik materials were largely dependent on the ligands. Based on the luminescence data, the most efficient intramolecular energy transfer processes were found to the SilXN-EDTAEu-dik (dik: tta and dbm) and SilXN-EDTATb-acac materials, which exhibited more pure emission colors. These materials are promising red and green phosphors, respectively. - Highlights: • New highly luminescent hybrid materials containing lanthanide-EDTA complexes. • The effect of three silylanting agent on the adsorption and luminescent properties has been studied. • The luminescence sensitizing by different β-diketonate ligands have been investigated.

  4. Computational Strain Gradient Crystal Plasticity

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof; Kysar, Jeffrey W.

    2011-01-01

    A model for strain gradient crystal visco-plasticity is formulated along the lines proposed by Fleck andWillis (2009) for isotropic plasticity. Size-effects are included in the model due to the addition of gradient terms in both the free energy as well as through a dissipation potential. A finite...... element solution method is presented, which delivers the slip-rate field and the velocity-field based on two minimum principles. Some plane deformation problems relevant for certain specific orientations of a face centered cubic crystal under plane loading conditions are studied, and effective in......-plane parameters are developed based on the crystallographic properties of the material. The problem of cyclic shear of a single crystal between rigid platens is studied as well as void growth of a cylindrical void....

  5. New routes to the functionalization patterning and manufacture of graphene-based materials for biomedical applications.

    Science.gov (United States)

    De Sanctis, A; Russo, S; Craciun, M F; Alexeev, A; Barnes, M D; Nagareddy, V K; Wright, C D

    2018-06-06

    Graphene-based materials are being widely explored for a range of biomedical applications, from targeted drug delivery to biosensing, bioimaging and use for antibacterial treatments, to name but a few. In many such applications, it is not graphene itself that is used as the active agent, but one of its chemically functionalized forms. The type of chemical species used for functionalization will play a key role in determining the utility of any graphene-based device in any particular biomedical application, because this determines to a large part its physical, chemical, electrical and optical interactions. However, other factors will also be important in determining the eventual uptake of graphene-based biomedical technologies, in particular the ease and cost of manufacture of proposed device and system designs. In this work, we describe three novel routes for the chemical functionalization of graphene using oxygen, iron chloride and fluorine. We also introduce novel in situ methods for controlling and patterning such functionalization on the micro- and nanoscales. Our approaches are readily transferable to large-scale manufacturing, potentially paving the way for the eventual cost-effective production of functionalized graphene-based materials, devices and systems for a range of important biomedical applications.

  6. Preparation of functional composite materials based on chemically derived graphene using solution process

    International Nuclear Information System (INIS)

    Kim, M; Hyun, W J; Mun, S C; Park, O O

    2015-01-01

    Chemically derived graphenes were assembled into functional composite materials using solution process from stable solvent dispersion. We have developed foldable electronic circuits on paper substrates using vacuum filtration of graphene nanoplates dispersion and a selective transfer process without need for special equipment. The electronic circuits on paper substrates revealed only a small change in conductance under various folding angles and maintained an electronic path after repetitive folding and unfolding. We also prepared flexible. binder-free graphene paper-like materials by addition of graphene oxide as a film stabilizer. This graphene papers showed outstanding electrical conductivity up to 26,000 S/m and high charge capacity as an anode in lithium-ion battery without any post-treatments. For last case, multi-functional thin film structures of graphene nanoplates were fabricated by using layer-by-layer assembly technique, showing optical transparency, electrical conductivity and enhanced gas barrier property. (paper)

  7. Acid-functionalized polyolefin materials and their use in acid-promoted chemical reactions

    Science.gov (United States)

    Oyola, Yatsandra; Tian, Chengcheng; Bauer, John Christopher; Dai, Sheng

    2016-06-07

    An acid-functionalized polyolefin material that can be used as an acid catalyst in a wide range of acid-promoted chemical reactions, wherein the acid-functionalized polyolefin material includes a polyolefin backbone on which acid groups are appended. Also described is a method for the preparation of the acid catalyst in which a precursor polyolefin is subjected to ionizing radiation (e.g., electron beam irradiation) of sufficient power and the irradiated precursor polyolefin reacted with at least one vinyl monomer having an acid group thereon. Further described is a method for conducting an acid-promoted chemical reaction, wherein an acid-reactive organic precursor is contacted in liquid form with a solid heterogeneous acid catalyst comprising a polyolefin backbone of at least 1 micron in one dimension and having carboxylic acid groups and either sulfonic acid or phosphoric acid groups appended thereto.

  8. Analysis of macro and micro residual stresses in functionally graded materials by diffraction methods

    CERN Document Server

    Dantz, D; Reimers, W

    1999-01-01

    The residual stress state in microwave sintered metal-ceramic functionally graded materials (FGM) consisting of 8Y-ZrO/sub 2//Ni and 8Y-ZrO/sub 2//NiCr8020, respectively, was analysed by non- destructive diffraction methods. In $9 order to get knowledge of the complete residual stress state in the near surface region as well as in the interior of the material, complementary methods were applied. Whereas the surface was characterised by X-ray techniques using $9 conventional sources, the stresses within the bulk of the material were investigated by means of high energy synchrotron radiation. The stress state was found to obey the differences in the coefficients of thermal expansion $9 (micro-stresses) on the one hand and the inhomogeneous cooling conditions (macrostresses) on the other hand. (7 refs).

  9. Molecular materials and devices: developing new functional systems based on the coordination chemistry approach

    Directory of Open Access Journals (Sweden)

    Toma Henrique E.

    2003-01-01

    Full Text Available At the onset of the nanotechnology age, molecular designing of materials and single molecule studies are opening wide possibilities of using molecular systems in electronic and photonic devices, as well as in technological applications based on molecular switching or molecular recognition. In this sense, inorganic chemists are privileged by the possibility of using the basic strategies of coordination chemistry to build up functional supramolecular materials, conveying the remarkable chemical properties of the metal centers and the characteristics of the ancillary ligands. Coordination chemistry also provides effective self-assembly strategies based on specific metal-ligand affinity and stereochemistry. Several molecular based materials, derived from inorganic and metal-organic compounds are focused on this article, with emphasis on new supramolecular porphyrins and porphyrazines, metal-clusters and metal-polyimine complexes. Such systems are also discussed in terms of their applications in catalysis, sensors and molecular devices.

  10. Elasto-Plastic Stress Analysis in Rotating Disks and Pressure Vessels Made of Functionally Graded Materials

    Directory of Open Access Journals (Sweden)

    Amir T. Kalali

    Full Text Available Abstract A new elastio-plastic stress solution in axisymmetric problems (rotating disk, cylindrical and spherical vessel is presented. The rotating disk (cylindrical and spherical vessel was made of a ceramic/metal functionally graded material, i.e. a particle-reinforced composite. It was assumed that the material's plastic deformation follows an isotropic strain-hardening rule based on the von-Mises yield criterion. The mechanical properties of the graded material were modeled by the modified rule of mixtures. By assuming small strains, Hencky's stress-strain relation was used to obtain the governing differential equations for the plastic region. A numerical method for solving those differential equations was then proposed that enabled the prediction of stress state within the structure. Selected finite element results were also presented to establish supporting evidence for the validation of the proposed approach.

  11. Optimization of Natural Frequencies and Sound Power of Beams Using Functionally Graded Material

    Directory of Open Access Journals (Sweden)

    Nabeel T. Alshabatat

    2014-01-01

    Full Text Available This paper presents a design method to optimize the material distribution of functionally graded beams with respect to some vibration and acoustic properties. The change of the material distribution through the beam length alters the stiffness and the mass of the beam. This can be used to alter a specific beam natural frequency. It can also be used to reduce the sound power radiated from the vibrating beam. Two novel volume fraction laws are used to describe the material volume distributions through the length of the FGM beam. The proposed method couples the finite element method (for the modal and harmonic analysis, Lumped Parameter Model (for calculating the power of sound radiation, and an optimization technique based on Genetic Algorithm. As a demonstration of this technique, the optimization procedure is applied to maximize the fundamental frequency of FGM cantilever and clamped beams and to minimize the sound radiation from vibrating clamped FGM beam at a specific frequency.

  12. Fabrication of Al/Diamond Particles Functionally Graded Materials by Centrifugal Sintered-Casting Method

    International Nuclear Information System (INIS)

    Watanabe, Yoshimi; Shibuya, Masafumi; Sato, Hisashi

    2013-01-01

    The continuous graded structure of functionally graded materials (FGMs) can be created under a centrifugal force. Centrifugal sintered-casting (CSC) method, proposed by the authors, is one of the fabrication methods of FGM under centrifugal force. This method is a combination of the centrifugal sintering method and centrifugal casting method. In this study, Al/diamond particle FGM was fabricated by the proposed method.

  13. Innovative Methodological Approaches for evaluating the Magnetocaloric Effect in Functional Materials

    OpenAIRE

    Cugini, Francesco

    2018-01-01

    The experimental characterization of magnetocaloric effect has a fundamental role in the development of an efficient, environmentally friendly and cost-effective room-temperature magnetic refrigeration technology. The proper measure of the magnetocaloric effect as a function of temperature and magnetic field, in terms of adiabatic temperature change and isothermal entropy change, is required to compare the potentiality of different materials and to lead to their development. Moreover, the tes...

  14. Towards Rational Design of Functional Fluoride and Oxyfluoride Materials from First Principles

    Science.gov (United States)

    Charles, Nenian

    Complex transition metal compounds (TMCs) research has produced functional materials with a range of properties, including ferroelectricity, colossal magnetoresistance, nonlinear optical activity and high-temperature superconductivity. Conventional routes to tune properties in transition metal oxides, for example, have relied primarily on cation chemical substitution and interfacial effects in thin film heterostructures. In heteroanionic TMCs, exhibiting two chemically distinct anions coordinating the same or different cations, engineering of the anion sub-lattice for property control is a promising alternative approach. The presence of multiple anions provides additional design variables, such as anion order, that are absent in homoanionic counterparts. The more complex structural and chemical phase space of heteroanionic materials provides a unique opportunity to realize enhanced or unanticipated electronic, optical, and magnetic responses. Although there is growing interest in heteroanionic materials, and synthetic and characterization advances are occurring for these materials, the crystal-chemistry principles for realizing structural and property control are only slowing emerging. This dissertation employs anion engineering to investigate phenomena in transition metal fluorides and oxyfluorides compounds using first principles density functional theory calculations. Oxyfluorides are particularly intriguing owing their tendency to stabilize highly ordered anion sublattices as well as the potential to combine the advantageous properties of transition metal oxides and fluorides. This work 1) addresses the challenges of studying fluorides and oxyfluorides using first principles calculations; 2) evaluates the feasibility of using external stimuli, such as epitaxial strain and hydrostatic pressure, to control properties of fluorides and oxyfluorides; and 3) formulates a computational workflow based on multiple levels of theory and computation to elucidate structure

  15. FUNCTIONAL MODEL OF THE MATERIAL RESOURCES MANAGEMENT FOR PROJECTS OF THE CREATION OF NEW TECHNIQUES

    Directory of Open Access Journals (Sweden)

    S. Yu. Danshyna

    2016-01-01

    Full Text Available The article is devoted to problem of material management arising in the implementation of projects for the development and creation (modernization of the new techniques. The uniqueness of the projects, their limit on the cost and time does not allow the use of traditional approaches to resource management. Such projects are often implemented in the development of companies; where it is not possible to abandon the traditional operating methods of management. The aim of the article is a formalization of the process of material management of projects, a description of its information flows for integrate into the project management practices and for improve the efficiency of material management. For the systematization of information arising from the material resources management, invited the set-theoretic representation of the management process. According with the requirements of project management standards were described the sets and defined rules of their transformation. Specification of the set-theoretic representation helped to establish the area and limits of the modelling process. Further decomposition process became the basis of the functional model, constructed in accordance with the methodology IDEF 0. A graphical representation of the model allows you to visualize the process at different levels of detail. For specification of issues related to the organization and promotion of material flow, were developed functional models of sub-processes and were described the identified data-flows. For the harmonization of process and project approaches formulated conditions for evaluating the efficiency of material management. The developed models can be the basis for designing the structure of companies, for regulation of their project activities, as well as for establishing an information system of management resources of projects.

  16. The Widespread Prevalence and Functional Significance of Silk-Like Structural Proteins in Metazoan Biological Materials.

    Directory of Open Access Journals (Sweden)

    Carmel McDougall

    Full Text Available In nature, numerous mechanisms have evolved by which organisms fabricate biological structures with an impressive array of physical characteristics. Some examples of metazoan biological materials include the highly elastic byssal threads by which bivalves attach themselves to rocks, biomineralized structures that form the skeletons of various animals, and spider silks that are renowned for their exceptional strength and elasticity. The remarkable properties of silks, which are perhaps the best studied biological materials, are the result of the highly repetitive, modular, and biased amino acid composition of the proteins that compose them. Interestingly, similar levels of modularity/repetitiveness and similar bias in amino acid compositions have been reported in proteins that are components of structural materials in other organisms, however the exact nature and extent of this similarity, and its functional and evolutionary relevance, is unknown. Here, we investigate this similarity and use sequence features common to silks and other known structural proteins to develop a bioinformatics-based method to identify similar proteins from large-scale transcriptome and whole-genome datasets. We show that a large number of proteins identified using this method have roles in biological material formation throughout the animal kingdom. Despite the similarity in sequence characteristics, most of the silk-like structural proteins (SLSPs identified in this study appear to have evolved independently and are restricted to a particular animal lineage. Although the exact function of many of these SLSPs is unknown, the apparent independent evolution of proteins with similar sequence characteristics in divergent lineages suggests that these features are important for the assembly of biological materials. The identification of these characteristics enable the generation of testable hypotheses regarding the mechanisms by which these proteins assemble and direct the

  17. Survey of technological trends in functional membrane materials; Kinosei makuzai ni kansuru gijutsu doko chosa

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1979-03-01

    Materials for membranes with novel functions are surveyed. The survey is focused on 10 subjects, which are high-performance RO (reverse osmosis)/UF (ultrafiltration) membranes; development of an energy-efficient secondary treatment system for urban wastewater using pollution-free membranes; high-performance ion exchange membranes; artificial lung membranes; hydrogen separation membranes (hydrogen as energy); development of an energy-efficient combustion system using gas separation membranes (oxygen-enriched membranes); organic matter separation membranes; enzyme-aided chemical reaction membranes and their application; development of a distilling ship; and functional membranes making use of photosynthesis. Discussed in this connection are the outlines of the technologies, the need of their development, methods and contents of the development efforts, and the effects and impacts of their development. The survey further concerns the particulars of the trends in novel technologies about functional membrane materials development, covering gas separation and liquid separation technologies; chemical reaction membranes; and enzyme-aided chemical reaction membranes and their application systems. As for their application, the survey covers the field of application of desalinated or ultrapure water; field of application of food fermentation technologies; industrial wastewater, valuable materials recovery, and urban wastewater treatment; and application to medical systems. (NEDO)

  18. Density Functional Theory applied to magnetic materials: Mn{sub 3}O{sub 4} at different hybrid functionals

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, R.A.P. [Department of Chemistry, State University of Ponta Grossa, Av. General Carlos Cavalcanti, 4748, 84030-900 Ponta Grossa, PR (Brazil); Lazaro, S.R. de, E-mail: srlazaro@upeg.br [Department of Chemistry, State University of Ponta Grossa, Av. General Carlos Cavalcanti, 4748, 84030-900 Ponta Grossa, PR (Brazil); Pianaro, S.A. [Department of Materials Engineering, State University of Ponta Grossa, Av. General Carlos Cavalcanti, 4748, 84030-900 Ponta Grossa, PR (Brazil)

    2015-10-01

    Antiferromagnetic Mn{sub 3}O{sub 4} in spinel structure was investigated employing the Density Functional Theory at different hybrid functionals with default HF exchange percentage. Structural, electronic and magnetic properties were examined. Structural results were in agreement with experimental and Hartree–Fock results showing that the octahedral site was distorted by the Jahn–Teller effect, which changed the electron density distribution. Band-gap results for B3LYP and B3PW hybrid functionals were closer to the experimental when compared to PBE0. Mulliken Population Analysis revealed magnetic moments very close to ideal d{sup 4} and d{sup 5} electron configurations of Mn{sup 3+} and Mn{sup 2+}, respectively. Electron density maps are useful to determine that oxygen atoms mediate the electron transfer between octahedral and tetrahedral clusters. Magnetic properties were investigated from theoretical results for exchange coupling constants. Intratetrahedral and tetra-octahedral interactions were observed to be antiferromagnetic, whereas, octahedral sites presented antiferromagnetic interactions in the same layer and ferromagnetic in adjacent layers. Results showed that only default B3LYP was successful to describe magnetic properties of antiferromagnetic materials in agreement with experimental results. - Highlights: • We study structural, electronic and magnetic properties of antiferromagnetic Mn{sub 3}O{sub 4}. • B3LYP, B3PW and PBE0 hybrid functionals are compared. • B3LYP and B3PW hybrid functionals are better to band-gap calculations. • Only default B3LYP was successful to describe exchange interactions for Mn{sub 3}O{sub 4}.

  19. A gradient enhanced plasticity-damage microplane model for concrete

    Science.gov (United States)

    Zreid, Imadeddin; Kaliske, Michael

    2018-03-01

    Computational modeling of concrete poses two main types of challenges. The first is the mathematical description of local response for such a heterogeneous material under all stress states, and the second is the stability and efficiency of the numerical implementation in finite element codes. The paper at hand presents a comprehensive approach addressing both issues. Adopting the microplane theory, a combined plasticity-damage model is formulated and regularized by an implicit gradient enhancement. The plasticity part introduces a new microplane smooth 3-surface cap yield function, which provides a stable numerical solution within an implicit finite element algorithm. The damage part utilizes a split, which can describe the transition of loading between tension and compression. Regularization of the model by the implicit gradient approach eliminates the mesh sensitivity and numerical instabilities. Identification methods for model parameters are proposed and several numerical examples of plain and reinforced concrete are carried out for illustration.

  20. Strain gradient elasticity within the symmetric BEM formulation

    Directory of Open Access Journals (Sweden)

    S. Terravecchia,

    2014-07-01

    Full Text Available The symmetric Galerkin Boundary Element Method is used to address a class of strain gradient elastic materials featured by a free energy function of the (classical strain and of its (first gradient. With respect to the classical elasticity, additional response variables intervene, such as the normal derivative of the displacements on the boundary, and the work-coniugate double tractions. The fundamental solutions - featuring a fourth order partial differential equations (PDEs system - exhibit singularities which in 2D may be of the order 1/ r 4 . New techniques are developed, which allow the elimination of most of the latter singularities. The present paper has to be intended as a research communication wherein some results, being elaborated within a more general paper [1], are reported.