Carbon-based composite electrocatalysts for low temperature fuel cells

DOEpatents

Popov, Branko N [Columbia, SC; Lee, Jog-Won [Columbia, SC; Subramanian, Nalini P [Kennesaw, GA; Kumaraguru, Swaminatha P [Honeoye Falls, NY; Colon-Mercado, Hector R [Columbia, SC; Nallathambi, Vijayadurga [T-Nagar, IN; Li, Xuguang [Columbia, SC; Wu, Gang [West Columbia, SC

2009-12-08

A process for synthesis of a catalyst is provided. The process includes providing a carbon precursor material, oxidizing the carbon precursor material whereby an oxygen functional group is introduced into the carbon precursor material, and adding a nitrogen functional group into the oxidized carbon precursor material.

Color-Tunable Mirrors Based on Electrically Regulated Bandwidth Broadening in Polymer-Stabilized Cholesteric Liquid Crystals (Postprint)

DTIC Science & Technology

2014-10-01

DISTRIBUTION STATEMENT. //Signature// //Signature// TIMOTHY J. WHITE CHRISTOPHER D. BREWER, Chief Photonic Materials Branch... Photonic Materials Branch Functional Materials Division Functional Materials Division //Signature// TIMOTHY J. BUNNING, Chief Functional...LIQUID CRYSTALS (POSTPRINT) 5a. CONTRACT NUMBER FA8650-09-D-5434-0009 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 62102F 6. AUTHOR(S

Carbon-Based Nanomaterials: Multi-Functional Materials for Biomedical Engineering

PubMed Central

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

Correction: Conceptual design of tetraazaporphyrin- and subtetraazaporphyrin-based functional nanocarbon materials: electronic structures, topologies, optical properties, and methane storage capacities.

PubMed

Belosludov, Rodion V; Rhoda, Hannah M; Zhdanov, Ravil K; Belosludov, Vladimir R; Kawazoe, Yoshiyuki; Nemykin, Victor N

2017-08-02

Correction for 'Conceptual design of tetraazaporphyrin- and subtetraazaporphyrin-based functional nanocarbon materials: electronic structures, topologies, optical properties, and methane storage capacities' by Rodion V. Belosludov et al., Phys. Chem. Chem. Phys., 2016, 18, 13503-13518.

Modular protein domains: an engineering approach toward functional biomaterials.

PubMed

Lin, Charng-Yu; Liu, Julie C

2016-08-01

Protein domains and peptide sequences are a powerful tool for conferring specific functions to engineered biomaterials. Protein sequences with a wide variety of functionalities, including structure, bioactivity, protein-protein interactions, and stimuli responsiveness, have been identified, and advances in molecular biology continue to pinpoint new sequences. Protein domains can be combined to make recombinant proteins with multiple functionalities. The high fidelity of the protein translation machinery results in exquisite control over the sequence of recombinant proteins and the resulting properties of protein-based materials. In this review, we discuss protein domains and peptide sequences in the context of functional protein-based materials, composite materials, and their biological applications. Copyright © 2016 Elsevier Ltd. All rights reserved.

Polyazulene based materials for heavy metal ions detection

NASA Astrophysics Data System (ADS)

Oprisanu, A.; Ungureanu, E. M.; Isopescu, R.; Birzan, L.; Mihai, M.; Vasiliu, C.

2017-06-01

Azulene is a special monomer used to functionalize electrodes, due to its spontaneous electron drift from the seven-membered ring to the five-membered ring. The seven-membered ring of the molecule may act as electron acceptor, while the five-membered ring - as electron donor. This leads to very attractive properties for the synthesis of functional advanced materials like: materials with nonlinear optical and photorefractive properties, cathode materials for lithium batteries, or light emitting diodes based on organic materials. Azulene derivatives have been used rarely to the metal ions electroanalysis. Our study concerns the synthesis and electrochemical characterization of a new azulene based monomer 4-(azulen-1-yl)-2,6-bis((E)-2-(thiophen-3-yl)vinyl)pyridine (L). L has been used to obtain modified electrodes by electrochemical polymerization. PolyL films modified electrodes have been characterized by cyclic voltammetry in ferrocene solutions. The complexing properties of polyL based functional materials have been investigated towards heavy metals (Pb, Cd Hg, Cu) by preconcentration - anodic stripping technique in order to analyze the content of these cations from water samples.

Exploration of new superconductors and functional materials, and fabrication of superconducting tapes and wires of iron pnictides.

PubMed

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.

Exploration of new superconductors and functional materials, and fabrication of superconducting tapes and wires of iron pnictides

PubMed Central

Hosono, Hideo; Tanabe, Keiichi; Takayama-Muromachi, Eiji; Kageyama, Hiroshi; Yamanaka, Shoji; Kumakura, Hiroaki; Nohara, Minoru; Hiramatsu, Hidenori; Fujitsu, Satoru

2015-01-01

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. PMID:27877784

Ab initio density-functional calculations in materials science: from quasicrystals over microporous catalysts to spintronics.

PubMed

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.

Method of producing catalytic material for fabricating nanostructures

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

Seals, Roland D.; Menchhofer, Paul A.; Howe, Jane Y.

Methods of fabricating nano-catalysts are described. In some embodiments the nano-catalyst is formed from a powder-based substrate material and is some embodiments the nano-catalyst is formed from a solid-based substrate material. In some embodiments the substrate material may include metal, ceramic, or silicon or another metalloid. The nano-catalysts typically have metal nanoparticles disposed adjacent the surface of the substrate material. The methods typically include functionalizing the surface of the substrate material with a chelating agent, such as a chemical having dissociated carboxyl functional groups (--COO), that provides an enhanced affinity for metal ions. The functionalized substrate surface may then bemore » exposed to a chemical solution that contains metal ions. The metal ions are then bound to the substrate material and may then be reduced, such as by a stream of gas that includes hydrogen, to form metal nanoparticles adjacent the surface of the substrate.« less

Method of producing catalytic materials for fabricating nanostructures

DOEpatents

Seals, Roland D; Menchhofer, Paul A; Howe, Jane Y; Wang, Wei

2013-02-19

Methods of fabricating nano-catalysts are described. In some embodiments the nano-catalyst is formed from a powder-based substrate material and is some embodiments the nano-catalyst is formed from a solid-based substrate material. In some embodiments the substrate material may include metal, ceramic, or silicon or another metalloid. The nano-catalysts typically have metal nanoparticles disposed adjacent the surface of the substrate material. The methods typically include functionalizing the surface of the substrate material with a chelating agent, such as a chemical having dissociated carboxyl functional groups (--COO), that provides an enhanced affinity for metal ions. The functionalized substrate surface may then be exposed to a chemical solution that contains metal ions. The metal ions are then bound to the substrate material and may then be reduced, such as by a stream of gas that includes hydrogen, to form metal nanoparticles adjacent the surface of the substrate.

Types, production and assessment of biobased food packaging materials

USDA-ARS?s Scientific Manuscript database

Food packaging performs an essential function, but packaging materials can have a negative impact on the environment. This book describes the latest advances in bio-based food packaging materials. Book provides a comprehensive review on bio-based, biodegradable and recycled materials and discusses t...

All optical controlled photonic integrated circuits using azo dye functionized sol-gel material

NASA Astrophysics Data System (ADS)

Ke, Xianjun

The main focus of this dissertation is development and characterization of all-optical controllable azo dye functionized sol gel material, demonstrating a PIC fabrication technique on glass substrate using such material, and exploration and feasibility demonstration of three PIC functional devices namely optical variable attenuator, optical switches, and optical tunable filters using the material. The realization of all the devices in this dissertation are based on one material: dye functionalized sol-gel material. A photochromic sol-gel material functionalized with azo dye was synthesized and characterized. It possesses a photochromic characteristic under the control of green laser beam illumination. The material characteristics suggest the possibility of a new promising material platform candidate for the fabrication of alloptical controlled photonic integrated circuits. As the first potential application of the dye functionalized sol-gel material, an alloptical variable attenuator was designed and demonstrated. The optical variable attenuation is achieved in Mach-Zehnder interferometric configuration through all-optical modulation of sol-gel waveguide phase shifters. A 2 x 2 optical switch based on multimode interference (MMI) waveguide structure is proposed in the dissertation. The schematic configuration of the optical switch consists of a cascade of two identical MMIs with two all-optical controlled phase shifters realized by using the photochromic sol-gel material. The cross or bar switch state of the optical switch is determined by the phase difference between the two sol-gel waveguide phase shifters. An all-optical tunable filter is designed and its feasibility demonstrated by using the sol-gel photochromic material. Except for the phase change demonstrated on sol-gel waveguide phase shifters, dynamic gratings were observed on sol-gel film when exposed to two interference beams. This reveals the possibility of realizing Bragg grating-based tunable filters. The schematic configuration of proposed tunable filters consists of a single straight waveguide embedded with a sol-gel waveguide. The wavelength tuning of the tunable filters is accomplished by varying the grating period.

Programming function into mechanical forms by directed assembly of silk bulk materials

PubMed Central

Patel, Nereus; Duggan, Thomas; Perotto, Giovanni; Shirman, Elijah; Li, Chunmei; Kaplan, David L.; Omenetto, Fiorenzo G.

2017-01-01

We report simple, water-based fabrication methods based on protein self-assembly to generate 3D silk fibroin bulk materials that can be easily hybridized with water-soluble molecules to obtain multiple solid formats with predesigned functions. Controlling self-assembly leads to robust, machinable formats that exhibit thermoplastic behavior consenting material reshaping at the nanoscale, microscale, and macroscale. We illustrate the versatility of the approach by realizing demonstrator devices where large silk monoliths can be generated, polished, and reshaped into functional mechanical components that can be nanopatterned, embed optical function, heated on demand in response to infrared light, or can visualize mechanical failure through colorimetric chemistries embedded in the assembled (bulk) protein matrix. Finally, we show an enzyme-loaded solid mechanical part, illustrating the ability to incorporate biological function within the bulk material with possible utility for sustained release in robust, programmably shapeable mechanical formats. PMID:28028213

Biochar-based functional materials in the purification of agricultural wastewater: Fabrication, application and future research needs.

PubMed

Wei, Dongning; Li, Bingyu; Huang, Hongli; Luo, Lin; Zhang, Jiachao; Yang, Yuan; Guo, Jiajun; Tang, Lin; Zeng, Guangming; Zhou, Yaoyu

2018-04-01

Nowadays, agricultural contamination is becoming more and more serious due to the rapid growth of agricultural industry, which discharged antibiotics, pesticides or toxic metals into farmlands. A large number of researchers have applied biochar-based functional materials to the treatment of agricultural wastewater contamination. Meanwhile, biochar has also proved to be a very promising and effective technology in water purification field due to its various beneficial properties (e.g., cost effective, high specific surface area, and surface reactive groups). The focus of this review is to highlight the fabrication methods and application of biochar-based functional materials with the removal of different agricultural contaminants, and discuss the underlying mechanisms. However, the application of biochar-based functional materials is currently under its infancy, with the main hindrance is identified as the gap between laboratory scale and field application, immaturity of engineered biochar production technologies, and lack of quality standards. In order to fill these knowledge gaps, more efforts should be made to pay for the relevant research in future studies. Copyright © 2018 Elsevier Ltd. All rights reserved.

Silica based hybrid materials for drug delivery and bioimaging.

PubMed

Bagheri, Elnaz; Ansari, Legha; Abnous, Khalil; Taghdisi, Seyed Mohammad; Charbgoo, Fahimeh; Ramezani, Mohammad; Alibolandi, Mona

2018-05-10

Silica hybrid materials play an important role in improvement of novel progressive functional nanomaterials. Study in silica hybrid functional materials is supported by growing interest in providing intelligent materials that combine best of the inorganic silica structure along with organic or biological realms. Hybrid silica materials do not only provide fantastic opportunities for the design of novel materials for research but their represented unique properties open versatile applications specifically in nanomedicine since it was recognized by US FDA as a safe material for human trials. By combining various materials with different characteristics along with silica NPs as building blocks, silica-based hybrid vehicles were developed. In this regard, silica-based hybrid materials have shown great capabilities as unique carriers for bioimaging and/or drug delivery purposes. In the aforementioned hybrid systems, silica was preferred as a main building block of the hybrid structure, which is easily functionalized with different materials, bio-molecules and targeting ligands while providing biocompatibility for the system. This review will cover a full description of different hybrids of silica nanoparticles including silica-polymer, silica-protein, silica-peptide, silica-nucleic acid, silica-gold, silica-quantum dot, and silica-magnetic nanoparticles and their applications as therapeutic or imaging systems. Copyright © 2018 Elsevier B.V. All rights reserved.

The Halogen Bond in the Design of Functional Supramolecular Materials: Recent Advances

PubMed Central

2013-01-01

Halogen bonding is an emerging noncovalent interaction for constructing supramolecular assemblies. Though similar to the more familiar hydrogen bonding, four primary differences between these two interactions make halogen bonding a unique tool for molecular recognition and the design of functional materials. First, halogen bonds tend to be much more directional than (single) hydrogen bonds. Second, the interaction strength scales with the polarizability of the bond-donor atom, a feature that researchers can tune through single-atom mutation. In addition, halogen bonds are hydrophobic whereas hydrogen bonds are hydrophilic. Lastly, the size of the bond-donor atom (halogen) is significantly larger than hydrogen. As a result, halogen bonding provides supramolecular chemists with design tools that cannot be easily met with other types of noncovalent interactions and opens up unprecedented possibilities in the design of smart functional materials. This Account highlights the recent advances in the design of halogen-bond-based functional materials. Each of the unique features of halogen bonding, directionality, tunable interaction strength, hydrophobicity, and large donor atom size, makes a difference. Taking advantage of the hydrophobicity, researchers have designed small-size ion transporters. The large halogen atom size provided a platform for constructing all-organic light-emitting crystals that efficiently generate triplet electrons and have a high phosphorescence quantum yield. The tunable interaction strengths provide tools for understanding light-induced macroscopic motions in photoresponsive azobenzene-containing polymers, and the directionality renders halogen bonding useful in the design on functional supramolecular liquid crystals and gel-phase materials. Although halogen bond based functional materials design is still in its infancy, we foresee a bright future for this field. We expect that materials designed based on halogen bonding could lead to applications in biomimetics, optics/photonics, functional surfaces, and photoswitchable supramolecules. PMID:23805801

New routes to the functionalization patterning and manufacture of graphene-based materials for biomedical applications.

PubMed

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.

Predictive equation of state method for heavy materials based on the Dirac equation and density functional theory

NASA Astrophysics Data System (ADS)

Wills, John M.; Mattsson, Ann E.

2012-02-01

Density functional theory (DFT) provides a formally predictive base for equation of state properties. Available approximations to the exchange/correlation functional provide accurate predictions for many materials in the periodic table. For heavy materials however, DFT calculations, using available functionals, fail to provide quantitative predictions, and often fail to be even qualitative. This deficiency is due both to the lack of the appropriate confinement physics in the exchange/correlation functional and to approximations used to evaluate the underlying equations. In order to assess and develop accurate functionals, it is essential to eliminate all other sources of error. In this talk we describe an efficient first-principles electronic structure method based on the Dirac equation and compare the results obtained with this method with other methods generally used. Implications for high-pressure equation of state of relativistic materials are demonstrated in application to Ce and the light actinides. Sandia National Laboratories is a multi-program laboratory managed andoperated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Enzymatically Active Microgels from Self-Assembling Protein Nanofibrils for Microflow Chemistry.

PubMed

Zhou, Xiao-Ming; Shimanovich, Ulyana; Herling, Therese W; Wu, Si; Dobson, Christopher M; Knowles, Tuomas P J; Perrett, Sarah

2015-06-23

Amyloid fibrils represent a generic class of protein structure associated with both pathological states and with naturally occurring functional materials. This class of protein nanostructure has recently also emerged as an excellent foundation for sophisticated functional biocompatible materials including scaffolds and carriers for biologically active molecules. Protein-based materials offer the potential advantage that additional functions can be directly incorporated via gene fusion producing a single chimeric polypeptide that will both self-assemble and display the desired activity. To succeed, a chimeric protein system must self-assemble without the need for harsh triggering conditions which would damage the appended functional protein molecule. However, the micrometer to nanoscale patterning and morphological control of protein-based nanomaterials has remained challenging. This study demonstrates a general approach for overcoming these limitations through the microfluidic generation of enzymatically active microgels that are stabilized by amyloid nanofibrils. The use of scaffolds formed from biomaterials that self-assemble under mild conditions enables the formation of catalytic microgels while maintaining the integrity of the encapsulated enzyme. The enzymatically active microgel particles show robust material properties and their porous architecture allows diffusion in and out of reactants and products. In combination with microfluidic droplet trapping approaches, enzymatically active microgels illustrate the potential of self-assembling materials for enzyme immobilization and recycling, and for biological flow-chemistry. These design principles can be adopted to create countless other bioactive amyloid-based materials with diverse functions.

Dual-mode operation of 2D material-base hot electron transistors

PubMed Central

Lan, Yann-Wen; Torres, Jr., Carlos M.; Zhu, Xiaodan; Qasem, Hussam; Adleman, James R.; Lerner, Mitchell B.; Tsai, Shin-Hung; Shi, Yumeng; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L.

2016-01-01

Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (VCB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (VCB < 0). That is, our 2D material-base hot electron transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications. PMID:27581550

Dual-mode operation of 2D material-base hot electron transistors.

PubMed

Lan, Yann-Wen; Torres, Carlos M; Zhu, Xiaodan; Qasem, Hussam; Adleman, James R; Lerner, Mitchell B; Tsai, Shin-Hung; Shi, Yumeng; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L

2016-09-01

Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (VCB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (VCB < 0). That is, our 2D material-base hot electron transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications.

Polyphosphazine-based polymer materials

DOEpatents

Fox, Robert V.; Avci, Recep; Groenewold, Gary S.

2010-05-25

Methods of removing contaminant matter from porous materials include applying a polymer material to a contaminated surface, irradiating the contaminated surface to cause redistribution of contaminant matter, and removing at least a portion of the polymer material from the surface. Systems for decontaminating a contaminated structure comprising porous material include a radiation device configured to emit electromagnetic radiation toward a surface of a structure, and at least one spray device configured to apply a capture material onto the surface of the structure. Polymer materials that can be used in such methods and systems include polyphosphazine-based polymer materials having polyphosphazine backbone segments and side chain groups that include selected functional groups. The selected functional groups may include iminos, oximes, carboxylates, sulfonates, .beta.-diketones, phosphine sulfides, phosphates, phosphites, phosphonates, phosphinates, phosphine oxides, monothio phosphinic acids, and dithio phosphinic acids.

Multi-Physics MRI-Based Two-Layer Fluid-Structure Interaction Anisotropic Models of Human Right and Left Ventricles with Different Patch Materials: Cardiac Function Assessment and Mechanical Stress Analysis

PubMed Central

Tang, Dalin; Yang, Chun; Geva, Tal; Gaudette, Glenn; del Nido, Pedro J.

2011-01-01

Multi-physics right and left ventricle (RV/LV) fluid-structure interaction (FSI) models were introduced to perform mechanical stress analysis and evaluate the effect of patch materials on RV function. The FSI models included three different patch materials (Dacron scaffold, treated pericardium, and contracting myocardium), two-layer construction, fiber orientation, and active anisotropic material properties. The models were constructed based on cardiac magnetic resonance (CMR) images acquired from a patient with severe RV dilatation and solved by ADINA. Our results indicate that the patch model with contracting myocardium leads to decreased stress level in the patch area, improved RV function and patch area contractility. PMID:21765559

Enzyme resistant carbohydrate based micro-scale materials from sugar beet (Beta vulgaris L.) pulp for food and pharmaceutical applications

USDA-ARS?s Scientific Manuscript database

Bio-based micro scale materials are increasingly used in functional food and pharmaceutical applications. The present study produced carbohydrate-based micro scale tubular materials from sugar beet (Beta vulgaris L.) pulp (SBP), a by-product of sugar beet processing. The isolated carbohydrates wer...

Glycopolymer functionalization of engineered spider silk protein-based materials for improved cell adhesion.

PubMed

Hardy, John G; Pfaff, André; Leal-Egaña, Aldo; Müller, Axel H E; Scheibel, Thomas R

2014-07-01

Silk protein-based materials are promising biomaterials for application as tissue scaffolds, due to their processability, biocompatibility, and biodegradability. The preparation of films composed of an engineered spider silk protein (eADF4(C16)) and their functionalization with glycopolymers are described. The glycopolymers bind proteins found in the extracellular matrix, providing a biomimetic coating on the films that improves cell adhesion to the surfaces of engineered spider silk films. Such silk-based materials have potential as coatings for degradable implantable devices. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A facile approach to prepare a dual functionalized DNA based material in a bio-deep eutectic solvent.

PubMed

Mondal, Dibyendu; Bhatt, Jitkumar; Sharma, Mukesh; Chatterjee, Shruti; Prasad, Kamalesh

2014-04-18

DNA (Salmon testes) was functionalized by Fe3O4 nanoparticles and protonated layered dititanate sheets (H2·Ti2O5·H2O) in a mixture of choline chloride and ethylene glycol (a deep eutectic solvent) to yield a hybrid material having magnetic and antibacterial properties. Ti sheets were found to interact with the phosphate moieties, while Fe interacted with the base pair of DNA in the hybrid material.

Higher-Order Theory for Functionally Graded Materials

NASA Technical Reports Server (NTRS)

Aboudi, Jacob; Pindera, Marek-Jerzy; Arnold, Steven M.

1999-01-01

This paper presents the full generalization of the Cartesian coordinate-based higher-order theory for functionally graded materials developed by the authors during the past several years. This theory circumvents the problematic use of the standard micromechanical approach, based on the concept of a representative volume element, commonly employed in the analysis of functionally graded composites by explicitly coupling the local (microstructural) and global (macrostructural) responses. The theoretical framework is based on volumetric averaging of the various field quantities, together with imposition of boundary and interfacial conditions in an average sense between the subvolumes used to characterize the composite's functionally graded microstructure. The generalization outlined herein involves extension of the theoretical framework to enable the analysis of materials characterized by spatially variable microstructures in three directions. Specialization of the generalized theoretical framework to previously published versions of the higher-order theory for materials functionally graded in one and two directions is demonstrated. In the applications part of the paper we summarize the major findings obtained with the one-directional and two-directional versions of the higher-order theory. The results illustrate both the fundamental issues related to the influence of microstructure on microscopic and macroscopic quantities governing the response of composites and the technologically important applications. A major issue addressed herein is the applicability of the classical homogenization schemes in the analysis of functionally graded materials. The technologically important applications illustrate the utility of functionally graded microstructures in tailoring the response of structural components in a variety of applications involving uniform and gradient thermomechanical loading.

Green materials for sustainable development

NASA Astrophysics Data System (ADS)

Purwasasmita, B. S.

2017-03-01

Sustainable development is an integrity of multidiscipline concept combining ecological, social and economic aspects to construct a liveable human living system. The sustainable development can be support through the development of green materials. Green materials offers a unique characteristic and properties including abundant in nature, less toxic, economically affordable and versatility in term of physical and chemical properties. Green materials can be applied for a numerous field in science and technology applications including for energy, building, construction and infrastructures, materials science and engineering applications and pollution management and technology. For instance, green materials can be developed as a source for energy production. Green materials including biomass-based source can be developed as a source for biodiesel and bioethanol production. Biomass-based materials also can be transformed into advanced functionalized materials for advanced bio-applications such as the transformation of chitin into chitosan which further used for biomedicine, biomaterials and tissue engineering applications. Recently, cellulose-based material and lignocellulose-based materials as a source for the developing functional materials attracted the potential prospect for biomaterials, reinforcing materials and nanotechnology. Furthermore, the development of pigment materials has gaining interest by using the green materials as a source due to their unique properties. Eventually, Indonesia as a large country with a large biodiversity can enhance the development of green material to strengthen our nation competitiveness and develop the materials technology for the future.

Plate/shell structure topology optimization of orthotropic material for buckling problem based on independent continuous topological variables

NASA Astrophysics Data System (ADS)

Ye, Hong-Ling; Wang, Wei-Wei; Chen, Ning; Sui, Yun-Kang

2017-10-01

The purpose of the present work is to study the buckling problem with plate/shell topology optimization of orthotropic material. A model of buckling topology optimization is established based on the independent, continuous, and mapping method, which considers structural mass as objective and buckling critical loads as constraints. Firstly, composite exponential function (CEF) and power function (PF) as filter functions are introduced to recognize the element mass, the element stiffness matrix, and the element geometric stiffness matrix. The filter functions of the orthotropic material stiffness are deduced. Then these filter functions are put into buckling topology optimization of a differential equation to analyze the design sensitivity. Furthermore, the buckling constraints are approximately expressed as explicit functions with respect to the design variables based on the first-order Taylor expansion. The objective function is standardized based on the second-order Taylor expansion. Therefore, the optimization model is translated into a quadratic program. Finally, the dual sequence quadratic programming (DSQP) algorithm and the global convergence method of moving asymptotes algorithm with two different filter functions (CEF and PF) are applied to solve the optimal model. Three numerical results show that DSQP&CEF has the best performance in the view of structural mass and discretion.

Optoelectronic functional materials based on alkylated-π molecules: self-assembled architectures and nonassembled liquids.

PubMed

Li, Hongguang; Choi, Jiyoung; Nakanishi, Takashi

2013-05-07

The engineering of single molecules into higher-order hierarchical assemblies is a current research focus in molecular materials chemistry. Molecules containing π-conjugated units are an important class of building blocks because their self-assembly is not only of fundamental interest, but also the key to fabricating functional systems for organic electronic and photovoltaic applications. Functionalizing the π-cores with "alkyl chains" is a common strategy in the molecular design that can give the system desirable properties, such as good solubility in organic solvents for solution processing. Moreover, the alkylated-π system can regulate the self-assembly behavior by fine-tuning the intermolecular forces. The optimally assembled structures can then exhibit advanced functions. However, while some general rules have been revealed, a comprehensive understanding of the function played by the attached alkyl chains is still lacking, and current methodology is system-specific in many cases. Better clarification of this issue requires contributions from carefully designed libraries of alkylated-π molecular systems in both self-assembly and nonassembly materialization strategies. Here, based on recent efforts toward this goal, we show the power of the alkyl chains in controlling the self-assembly of soft molecular materials and their resulting optoelectronic properties. The design of alkylated-C60 is selected from our recent research achievements, as the most attractive example of such alkylated-π systems. Some other closely related systems composed of alkyl chains and π-units are also reviewed to indicate the universality of the methodology. Finally, as a contrast to the self-assembled molecular materials, nonassembled, solvent-free, novel functional liquid materials are discussed. In doing so, a new journey toward the ultimate organic "soft" materials is introduced, based on alkylated-π molecular design.

Natural biopolymer-based nanocomposite films for packaging applications.

PubMed

Rhim, Jong-Whan; Ng, Perry K W

2007-01-01

Concerns on environmental waste problems caused by non-biodegradable petrochemical-based plastic packaging materials as well as the consumer's demand for high quality food products has caused an increasing interest in developing biodegradable packaging materials using annually renewable natural biopolymers such as polysaccharides and proteins. Inherent shortcomings of natural polymer-based packaging materials such as low mechanical properties and low water resistance can be recovered by applying a nanocomposite technology. Polymer nanocomposites, especially natural biopolymer-layered silicate nanocomposites, exhibit markedly improved packaging properties due to their nanometer size dispersion. These improvements include increased modulus and strength, decreased gas permeability, and increased water resistance. Additionally, biologically active ingredients can be added to impart the desired functional properties to the resulting packaging materials. Consequently, natural biopolymer-based nanocomposite packaging materials with bio-functional properties have a huge potential for application in the active food packaging industry. In this review, recent advances in the preparation of natural biopolymer-based films and their nanocomposites, and their potential use in packaging applications are addressed.

Hierarchical Co-Assembly Enhanced Direct Ink Writing.

PubMed

Li, Longyu; Zhang, Pengfei; Zhang, Zhiyun; Lin, Qianming; Wu, Yuyang; Cheng, Alexander; Lin, Yunxiao; Thompson, Christina M; Smaldone, Ronald A; Ke, Chenfeng

2018-04-23

Integrating intelligent molecular systems into 3D printing materials and transforming their molecular functions to the macroscale with controlled superstructures will unleash great potential for the development of smart materials. Compared to macromolecular 3D printing materials, self-assembled small-molecule-based 3D printing materials are very rare owing to the difficulties of facilitating 3D printability as well as preserving their molecular functions macroscopically. Herein, we report a general approach for the integration of functional small molecules into 3D printing materials for direct ink writing through the introduction of a supramolecular template. A variety of inorganic and organic small-molecule-based inks were 3D-printed, and their superstructures were refined by post-printing hierarchical co-assembly. Through spatial and temporal control of individual molecular events from the nano- to the macroscale, fine-tuned macroscale features were successfully installed in the monoliths. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enzymatically Active Microgels from Self-Assembling Protein Nanofibrils for Microflow Chemistry

PubMed Central

2015-01-01

Amyloid fibrils represent a generic class of protein structure associated with both pathological states and with naturally occurring functional materials. This class of protein nanostructure has recently also emerged as an excellent foundation for sophisticated functional biocompatible materials including scaffolds and carriers for biologically active molecules. Protein-based materials offer the potential advantage that additional functions can be directly incorporated via gene fusion producing a single chimeric polypeptide that will both self-assemble and display the desired activity. To succeed, a chimeric protein system must self-assemble without the need for harsh triggering conditions which would damage the appended functional protein molecule. However, the micrometer to nanoscale patterning and morphological control of protein-based nanomaterials has remained challenging. This study demonstrates a general approach for overcoming these limitations through the microfluidic generation of enzymatically active microgels that are stabilized by amyloid nanofibrils. The use of scaffolds formed from biomaterials that self-assemble under mild conditions enables the formation of catalytic microgels while maintaining the integrity of the encapsulated enzyme. The enzymatically active microgel particles show robust material properties and their porous architecture allows diffusion in and out of reactants and products. In combination with microfluidic droplet trapping approaches, enzymatically active microgels illustrate the potential of self-assembling materials for enzyme immobilization and recycling, and for biological flow-chemistry. These design principles can be adopted to create countless other bioactive amyloid-based materials with diverse functions. PMID:26030507

Fire resistant aircraft seat materials

NASA Technical Reports Server (NTRS)

Trabold, E. L.

1978-01-01

The establishment of a technical data base for individual seat materials in order to facilitate materials selections is reviewed. The thermal response of multi-layer constructions representative of the basic functional layers of a typical future seat is examined. These functional layers include: (1) decorative fabric cover; (2) slip sheet (topper); (3) fire blocking layer; (4) cushion reinforcement; and (5) cushioning layer. The implications for material selection for full-scale seats are discussed.

Materials Data on BaSe (SG:225) by Materials Project

DOE Data Explorer

Kristin Persson

2014-11-02

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on BaSe (SG:221) by Materials Project

DOE Data Explorer

Kristin Persson

2014-11-02

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Synergistic Integration of Experimental and Simulation Approaches for the de Novo Design of Silk-Based Materials.

PubMed

Huang, Wenwen; Ebrahimi, Davoud; Dinjaski, Nina; Tarakanova, Anna; Buehler, Markus J; Wong, Joyce Y; Kaplan, David L

2017-04-18

Tailored biomaterials with tunable functional properties are crucial for a variety of task-specific applications ranging from healthcare to sustainable, novel bio-nanodevices. To generate polymeric materials with predictive functional outcomes, exploiting designs from nature while morphing them toward non-natural systems offers an important strategy. Silks are Nature's building blocks and are produced by arthropods for a variety of uses that are essential for their survival. Due to the genetic control of encoded protein sequence, mechanical properties, biocompatibility, and biodegradability, silk proteins have been selected as prototype models to emulate for the tunable designs of biomaterial systems. The bottom up strategy of material design opens important opportunities to create predictive functional outcomes, following the exquisite polymeric templates inspired by silks. Recombinant DNA technology provides a systematic approach to recapitulate, vary, and evaluate the core structure peptide motifs in silks and then biosynthesize silk-based polymers by design. Post-biosynthesis processing allows for another dimension of material design by controlled or assisted assembly. Multiscale modeling, from the theoretical prospective, provides strategies to explore interactions at different length scales, leading to selective material properties. Synergy among experimental and modeling approaches can provide new and more rapid insights into the most appropriate structure-function relationships to pursue while also furthering our understanding in terms of the range of silk-based systems that can be generated. This approach utilizes nature as a blueprint for initial polymer designs with useful functions (e.g., silk fibers) but also employs modeling-guided experiments to expand the initial polymer designs into new domains of functional materials that do not exist in nature. The overall path to these new functional outcomes is greatly accelerated via the integration of modeling with experiment. In this Account, we summarize recent advances in understanding and functionalization of silk-based protein systems, with a focus on the integration of simulation and experiment for biopolymer design. Spider silk was selected as an exemplary protein to address the fundamental challenges in polymer designs, including specific insights into the role of molecular weight, hydrophobic/hydrophilic partitioning, and shear stress for silk fiber formation. To expand current silk designs toward biointerfaces and stimuli responsive materials, peptide modules from other natural proteins were added to silk designs to introduce new functions, exploiting the modular nature of silk proteins and fibrous proteins in general. The integrated approaches explored suggest that protein folding, silk volume fraction, and protein amino acid sequence changes (e.g., mutations) are critical factors for functional biomaterial designs. In summary, the integrated modeling-experimental approach described in this Account suggests a more rationally directed and more rapid method for the design of polymeric materials. It is expected that this combined use of experimental and computational approaches has a broad applicability not only for silk-based systems, but also for other polymer and composite materials.

Analysis of Thermal Power Generation Capacity for a Skutterudite-Based Thermoelectric Functional Structure

NASA Astrophysics Data System (ADS)

Sun, Yajing; Chen, Gang; Bai, Guanghui; Yang, Xuqiu; Li, Peng; Zhai, Pengcheng

2017-05-01

Due to military or other requirements for hypersonic aircraft, the energy supply devices with the advantages of small size and light weight are urgently needed. Compared with the traditional energy supply method, the skutterudite-based thermoelectric (TE) functional structure is expected to generate electrical energy with a smaller structural space in the hypersonic aircraft. This paper mainly focuses on the responded thermal and electrical characteristics of the skutterudite-based TE functional structure (TEFS) under strong heat flux loads. We conduct TE simulations on the transient model of the TEFS with consideration of the heat flux loads and thermal radiation in the hot end and the cooling effect of the phase change material (PCM) in the cold end. We investigate several influential factors on the power generation capacity, such as the phase transition temperature of the PCM, the heat flux loads, the thickness of the TE materials and the thermal conductivity of the frame materials. The results show that better power generation capacity can be achieved with thicker TE materials, lower phase transition temperature and suitable thermal conductivity of the frame materials.

Surface functionalized mesoporous material and method of making same

DOEpatents

Feng, Xiangdong [West Richland, WA; Liu, Jun [West Richland, WA; Fryxell, Glen E [Kennewick, WA

2001-12-04

According to the present invention, an organized assembly of functional molecules with specific interfacial functionality (functional group(s)) is attached to available surfaces including within mesopores of a mesoporous material. The method of the present invention avoids the standard base soak that would digest the walls between the mesopores by boiling the mesoporous material in water for surface preparation then removing all but one or two layers of water molecules on the internal surface of a pore. Suitable functional molecule precursor is then applied to permeate the hydrated pores and the precursor then undergoes condensation to form the functional molecules on the interior surface(s) of the pore(s).

Decreasing redox voltage of terephthalate-based electrode material for Li-ion battery using substituent effect

NASA Astrophysics Data System (ADS)

Lakraychi, A. E.; Dolhem, F.; Djedaïni-Pilard, F.; Thiam, A.; Frayret, C.; Becuwe, M.

2017-08-01

The preparation and assessment versus lithium of a functionalized terephthalate-based as a potential new negative electrode material for Li-ion battery is presented. Inspired from molecular modelling, a decrease in redox potential is achieved through the symmetrical adjunction of electron-donating fragments (-CH3) on the aromatic ring. While the electrochemical activity of this organic material was maximized when used as nanocomposite and without any binder, the potential is furthermore lowered by 110 mV upon functionalization, consistently with predicted value gained from DFT calculations.

Recent Advances in Layered Metal Chalcogenides as Superconductors and Thermoelectric Materials: Fe-Based and Bi-Based Chalcogenides.

PubMed

Mizuguchi, Yoshikazu

2016-04-01

Recent advances in layered (Fe-based and Bi-based) chalcogenides as superconductors or functional materials are reviewed. The Fe-chalcogenide (FeCh) family are the simplest Fe-based high-Tc superconductors. The superconductivity in the FeCh family is sensitive to external or chemical pressure, and high Tc is attained when the local structure (anion height) is optimized. The Bi-chalcogenide (BiCh2) family are a new group of layered superconductors with a wide variety of stacking structures. Their physical properties are also sensitive to external or chemical pressure. Recently, we revealed that the emergence of superconductivity and the Tc in this family correlate with the in-plane chemical pressure. Since the flexibility of crystal structure and electronic states are an advantage of the BiCh2 family for designing functionalities, I briefly review recent developments in this family as not only superconductors but also other functional materials. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Engineered soy oils for new value added applications

NASA Astrophysics Data System (ADS)

Tran, Phuong T.

Soybean oil is an abundant annually renewable resource. It is composed of triglycerides with long chain saturated and unsaturated fatty acids. The presence of unsaturated fatty acids allows for chemical modification to introduce new functionalities to soybean oil. A portfolio of chemically modified soy oil with suitable functional groups has been designed and engineered to serve as the starting material in applications such as polyamides, polyesters, polyurethanes, composites, and lubricants. Anhydride, hydroxyl, and silicone functionalities were introduced to soy oil. Anhydride functionality was introduced using a single-step free radical initiated process, and the chemically modified soy oils were evaluated for potential applications as a composite and lubricant. Hydroxyl functionalities were introduced in a single-step catalytic ozonolysis process recently developed in our labs, which proceeds rapidly and efficiently at room temperature without solvent. The transformed soy oil was used to successfully prepare bio-lubricants with good thermal/oxidative stability and bio-plastics such as polyamides, polyesters, and polyurethanes. A new class of organic-inorganic hybrid materials was prepared by curing vinyltrimethoxysilane functionalized soy oil. This hybrid material could have potential as biobased sealant through a moisture initiated room temperature cure. These new classes of soy-based materials are competitive both in cost and performance to petroleum based materials, but offer the advantage of being biobased.

Photoresponsive liquid crystalline epoxy networks with shape memory behavior and dynamic ester bonds

DOE PAGES

Rios, Orlando; Chen, Jihua; Li, Yuzhan; ...

2016-06-01

Functional polymers are intelligent materials that can respond to a variety of external stimuli. However, these materials have not yet found widespread real world applications because of the difficulties in fabrication and the limited number of functional building blocks that can be incorporated into a material. Here, we demonstrate a simple route to incorporate three functional building blocks (azobenzene chromophores, liquid crystals, and dynamic covalent bonds) into an epoxy-based liquid crystalline network (LCN), in which an azobenzene-based epoxy monomer is polymerized with an aliphatic dicarboxylic acid to create exchangeable ester bonds that can be thermally activated. Lastly, all three functionalmore » building blocks exhibited good compatibility, and the resulting materials exhibits various photomechanical, shape memory, and self-healing properties because of the azobenzene molecules, liquid crystals, and dynamic ester bonds, respectively.« less

Understanding the bond-energy, hardness, and adhesive force from the phase diagram via the electron work function

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

Lu, Hao; Huang, Xiaochen; Li, Dongyang, E-mail: dongyang.li@ualberta.ca

2014-11-07

Properties of metallic materials are intrinsically determined by their electron behavior. However, relevant theoretical treatment involving quantum mechanics is complicated and difficult to be applied in materials design. Electron work function (EWF) has been demonstrated to be a simple but fundamental parameter which well correlates properties of materials with their electron behavior and could thus be used to predict material properties from the aspect of electron activities in a relatively easy manner. In this article, we propose a method to extract the electron work functions of binary solid solutions or alloys from their phase diagrams and use this simple approachmore » to predict their mechanical strength and surface properties, such as adhesion. Two alloys, Fe-Ni and Cu-Zn, are used as samples for the study. EWFs extracted from phase diagrams show same trends as experimentally observed ones, based on which hardness and surface adhesive force of the alloys are predicted. This new methodology provides an alternative approach to predict material properties based on the work function, which is extractable from the phase diagram. This work may also help maximize the power of phase diagram for materials design and development.« less

A general representation scheme for crystalline solids based on Voronoi-tessellation real feature values and atomic property data

PubMed Central

Jalem, Randy; Nakayama, Masanobu; Noda, Yusuke; Le, Tam; Takeuchi, Ichiro; Tateyama, Yoshitaka; Yamazaki, Hisatsugu

2018-01-01

Abstract Increasing attention has been paid to materials informatics approaches that promise efficient and fast discovery and optimization of functional inorganic materials. Technical breakthrough is urgently requested to advance this field and efforts have been made in the development of materials descriptors to encode or represent characteristics of crystalline solids, such as chemical composition, crystal structure, electronic structure, etc. We propose a general representation scheme for crystalline solids that lifts restrictions on atom ordering, cell periodicity, and system cell size based on structural descriptors of directly binned Voronoi-tessellation real feature values and atomic/chemical descriptors based on the electronegativity of elements in the crystal. Comparison was made vs. radial distribution function (RDF) feature vector, in terms of predictive accuracy on density functional theory (DFT) material properties: cohesive energy (CE), density (d), electronic band gap (BG), and decomposition energy (Ed). It was confirmed that the proposed feature vector from Voronoi real value binning generally outperforms the RDF-based one for the prediction of aforementioned properties. Together with electronegativity-based features, Voronoi-tessellation features from a given crystal structure that are derived from second-nearest neighbor information contribute significantly towards prediction. PMID:29707064

A general representation scheme for crystalline solids based on Voronoi-tessellation real feature values and atomic property data.

PubMed

Jalem, Randy; Nakayama, Masanobu; Noda, Yusuke; Le, Tam; Takeuchi, Ichiro; Tateyama, Yoshitaka; Yamazaki, Hisatsugu

2018-01-01

Increasing attention has been paid to materials informatics approaches that promise efficient and fast discovery and optimization of functional inorganic materials. Technical breakthrough is urgently requested to advance this field and efforts have been made in the development of materials descriptors to encode or represent characteristics of crystalline solids, such as chemical composition, crystal structure, electronic structure, etc. We propose a general representation scheme for crystalline solids that lifts restrictions on atom ordering, cell periodicity, and system cell size based on structural descriptors of directly binned Voronoi-tessellation real feature values and atomic/chemical descriptors based on the electronegativity of elements in the crystal. Comparison was made vs. radial distribution function (RDF) feature vector, in terms of predictive accuracy on density functional theory (DFT) material properties: cohesive energy (CE), density ( d ), electronic band gap (BG), and decomposition energy (Ed). It was confirmed that the proposed feature vector from Voronoi real value binning generally outperforms the RDF-based one for the prediction of aforementioned properties. Together with electronegativity-based features, Voronoi-tessellation features from a given crystal structure that are derived from second-nearest neighbor information contribute significantly towards prediction.

Protein-Based Drug-Delivery Materials.

PubMed

Jao, Dave; Xue, Ye; Medina, Jethro; Hu, Xiao

2017-05-09

There is a pressing need for long-term, controlled drug release for sustained treatment of chronic or persistent medical conditions and diseases. Guided drug delivery is difficult because therapeutic compounds need to survive numerous transport barriers and binding targets throughout the body. Nanoscale protein-based polymers are increasingly used for drug and vaccine delivery to cross these biological barriers and through blood circulation to their molecular site of action. Protein-based polymers compared to synthetic polymers have the advantages of good biocompatibility, biodegradability, environmental sustainability, cost effectiveness and availability. This review addresses the sources of protein-based polymers, compares the similarity and differences, and highlights characteristic properties and functionality of these protein materials for sustained and controlled drug release. Targeted drug delivery using highly functional multicomponent protein composites to guide active drugs to the site of interest will also be discussed. A systematical elucidation of drug-delivery efficiency in the case of molecular weight, particle size, shape, morphology, and porosity of materials will then be demonstrated to achieve increased drug absorption. Finally, several important biomedical applications of protein-based materials with drug-delivery function-including bone healing, antibiotic release, wound healing, and corneal regeneration, as well as diabetes, neuroinflammation and cancer treatments-are summarized at the end of this review.

PREFACE: E-MRS 2012 Spring Meeting, Symposium M: More than Moore: Novel materials approaches for functionalized Silicon based Microelectronics

NASA Astrophysics Data System (ADS)

Wenger, Christian; Fompeyrine, Jean; Vallée, Christophe; Locquet, Jean-Pierre

2012-12-01

More than Moore explores a new area of Silicon based microelectronics, which reaches beyond the boundaries of conventional semiconductor applications. Creating new functionality to semiconductor circuits, More than Moore focuses on motivating new technological possibilities. In the past decades, the main stream of microelectronics progresses was mainly powered by Moore's law, with two focused development arenas, namely, IC miniaturization down to nano scale, and SoC based system integration. While the microelectronics community continues to invent new solutions around the world to keep Moore's law alive, there is increasing momentum for the development of 'More than Moore' technologies which are based on silicon technologies but do not simply scale with Moore's law. Typical examples are RF, Power/HV, Passives, Sensor/Actuator/MEMS or Bio-chips. The More than Moore strategy is driven by the increasing social needs for high level heterogeneous system integration including non-digital functions, the necessity to speed up innovative product creation and to broaden the product portfolio of wafer fabs, and the limiting cost and time factors of advanced SoC development. It is believed that More than Moore will add value to society on top of and beyond advanced CMOS with fast increasing marketing potentials. Important key challenges for the realization of the 'More than Moore' strategy are: perspective materials for future THz devices materials systems for embedded sensors and actuators perspective materials for epitaxial approaches material systems for embedded innovative memory technologies development of new materials with customized characteristics The Hot topics covered by the symposium M (More than Moore: Novel materials approaches for functionalized Silicon based Microelectronics) at E-MRS 2012 Spring Meeting, 14-18 May 2012 have been: development of functional ceramics thin films New dielectric materials for advanced microelectronics bio- and CMOS compatible material systems piezoelectric films and nanostructures Atomic Layer Deposition (ALD) of oxides and nitrides characterization and metrology of very thin oxide layers We would like to take this opportunity to thank the Scientific Committee and Local Committee for bringing together a coherent and high quality Symposium at E-MRS 2012 Spring Meeting. Christian Wenger, Jean Fompeyrine, Christophe Vallée and Jean-Pierre Locquet Organizing Committee of Symposium M September 2012

Electron work function-a promising guiding parameter for material design.

PubMed

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.

Application of Advanced Materials in Petroleum Engineering

NASA Astrophysics Data System (ADS)

Zhao, Gufan; Di, Weina; Wang, Minsheng

With the background of increasing requirements on the petroleum engineering technology from more high demanding exploration targets, global oil companies and oil service companies are making more efforts on both R&D and application of new petroleum engineering technology. Advanced materials always have a decisive role in the functionality of a new product. Technology transplantation has become the important means of innovation in oil and gas industry. Here, we mainly discuss the properties and scope of application of several advanced materials. Based on the material requirements in petroleum engineering, we provide several candidates for downhole electronics protection, drilling fluid additives, downhole tools, etc. Based on the analysis of petroleum engineering technology characteristics, this paper made analysis and research on such advanced materials as new insulation materials, functional gradient materials, self-healing polymers, and introduced their application prospect in petroleum engineering in terms of specific characteristics.

Graphene oxide based nanohybrid proton exchange membranes for fuel cell applications: An overview.

PubMed

Pandey, Ravi P; Shukla, Geetanjali; Manohar, Murli; Shahi, Vinod K

2017-02-01

In the context of many applications, such as polymer composites, energy-related materials, sensors, 'paper'-like materials, field-effect transistors (FET), and biomedical applications, chemically modified graphene was broadly studied during the last decade, due to its excellent electrical, mechanical, and thermal properties. The presence of reactive oxygen functional groups in the grapheme oxide (GO) responsible for chemical functionalization makes it a good candidate for diversified applications. The main objectives for developing a GO based nanohybrid proton exchange membrane (PEM) include: improved self-humidification (water retention ability), reduced fuel crossover (electro-osmotic drag), improved stabilities (mechanical, thermal, and chemical), enhanced proton conductivity, and processability for the preparation of membrane-electrode assembly. Research carried on this topic may be divided into protocols for covalent grafting of functional groups on GO matrix, preparation of free-standing PEM or choice of suitable polymer matrix, covalent or hydrogen bonding between GO and polymer matrix etc. Herein, we present a brief literature survey on GO based nano-hybrid PEM for fuel cell applications. Different protocols were adopted to produce functionalized GO based materials and prepare their free-standing film or disperse these materials in various polymer matrices with suitable interactions. This review article critically discussed the suitability of these PEMs for fuel cell applications in terms of the dependency of the intrinsic properties of nanohybrid PEMs. Potential applications of these nanohybrid PEMs, and current challenges are also provided along with future guidelines for developing GO based nanohybrid PEMs as promising materials for fuel cell applications. Copyright © 2016 Elsevier B.V. All rights reserved.

Functional organic materials based on polymerized liquid-crystal monomers: supramolecular hydrogen-bonded systems.

PubMed

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.

Bioglass® 45S5-based composites for bone tissue engineering and functional applications.

PubMed

Rizwan, M; Hamdi, M; Basirun, W J

2017-11-01

Bioglass® 45S5 (BG) has an outstanding ability to bond with bones and soft tissues, but its application as a load-bearing scaffold material is restricted due to its inherent brittleness. BG-based composites combine the amazing biological and bioactive characteristics of BG with structural and functional features of other materials. This article reviews the composites of Bioglass ® in combination with metals, ceramics and polymers for a wide range of potential applications from bone scaffolds to nerve regeneration. Bioglass ® also possesses angiogenic and antibacterial properties in addition to its very high bioactivity; hence, composite materials developed for these applications are also discussed. BG-based composites with polymer matrices have been developed for a wide variety of soft tissue engineering. This review focuses on the research that suggests the suitability of BG-based composites as a scaffold material for hard and soft tissues engineering. Composite production techniques have a direct influence on the bioactivity and mechanical behavior of scaffolds. A detailed discussion of the bioactivity, in vitro and in vivo biocompatibility and biodegradation is presented as a function of materials and its processing techniques. Finally, an outlook for future research is also proposed. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 105A: 3197-3223, 2017. © 2017 Wiley Periodicals, Inc.

Cell-based composite materials with programmed structures and functions

DOEpatents

None

2016-03-01

The present invention is directed to the use of silicic acid to transform biological materials, including cellular architecture into inorganic materials to provide biocomposites (nanomaterials) with stabilized structure and function. In the present invention, there has been discovered a means to stabilize the structure and function of biological materials, including cells, biomolecules, peptides, proteins (especially including enzymes), lipids, lipid vesicles, polysaccharides, cytoskeletal filaments, tissue and organs with silicic acid such that these materials may be used as biocomposites. In many instances, these materials retain their original biological activity and may be used in harsh conditions which would otherwise destroy the integrity of the biological material. In certain instances, these biomaterials may be storage stable for long periods of time and reconstituted after storage to return the biological material back to its original form. In addition, by exposing an entire cell to form CSCs, the CSCs may function to provide a unique system to study enzymes or a cascade of enzymes which are otherwise unavailable.

Cell-based composite materials with programmed structures and functions

DOEpatents

Kaehr, Bryan J.; Brinker, C. Jeffrey; Townson, Jason L.

2018-05-15

The present invention is directed to the use of silicic acid to transform biological materials, including cellular architecture into inorganic materials to provide biocomposites (nanomaterials) with stabilized structure and function. In the present invention, there has been discovered a means to stabilize the structure and function of biological materials, including cells, biomolecules, peptides, proteins (especially including enzymes), lipids, lipid vesicles, polysaccharides, cytoskeletal filaments, tissue and organs with silicic acid such that these materials may be used as biocomposites. In many instances, these materials retain their original biological activity and may be used in harsh conditions which would otherwise destroy the integrity of the biological material. In certain instances, these biomaterials may be storage stable for long periods of time and reconstituted after storage to return the biological material back to its original form. In addition, by exposing an entire cell to form CSCs, the CSCs may function to provide a unique system to study enzymes or a cascade of enzymes which are otherwise unavailable.

Modification of Chitin with Kraft Lignin and Development of New Biosorbents for Removal of Cadmium(II) and Nickel(II) Ions

PubMed Central

Wysokowski, Marcin; Klapiszewski, Łukasz; Moszyński, Dariusz; Bartczak, Przemysław; Szatkowski, Tomasz; Majchrzak, Izabela; Siwińska-Stefańska, Katarzyna; Bazhenov, Vasilii V.; Jesionowski, Teofil

2014-01-01

Novel, functional materials based on chitin of marine origin and lignin were prepared. The synthesized materials were subjected to physicochemical, dispersive-morphological and electrokinetic analysis. The results confirm the effectiveness of the proposed method of synthesis of functional chitin/lignin materials. Mechanism of chitin modification by lignin is based on formation of hydrogen bonds between chitin and lignin. Additionally, the chitin/lignin materials were studied from the perspective of waste water treatment. The synthetic method presented in this work shows an attractive and facile route for producing low-cost chitin/lignin biosorbents with high efficiency of nickel and cadmium adsorption (88.0% and 98.4%, respectively). The discovery of this facile method of synthesis of functional chitin/lignin materials will also have a significant impact on the problematic issue of the utilization of chitinous waste from the seafood industry, as well as lignin by-products from the pulp and paper industry. PMID:24727394

Laser induced forward transfer of graphene

NASA Astrophysics Data System (ADS)

Smits, Edsger C. P.; Walter, Arnaud; de Leeuw, Dago M.; Asadi, Kamal

2017-10-01

Transfer of graphene and other two-dimensional materials is still a technical challenge. The 2D-materials are typically patterned after transfer, which leads to a major loss of material. Here, we present laser induced forward transfer of chemical vapor deposition grown graphene layers with well-defined shapes and geometries. The transfer is based on photo-decomposition of a triazene-based transfer layer that produces N2 gas, which propels a graphene layer from the donor to the acceptor substrate. The functionality of the graphene-metal junction was verified by realizing functional bottom contact bottom gate field-effect transistors.

Computational predictions of energy materials using density functional theory

NASA Astrophysics Data System (ADS)

Jain, Anubhav; Shin, Yongwoo; Persson, Kristin A.

2016-01-01

In the search for new functional materials, quantum mechanics is an exciting starting point. The fundamental laws that govern the behaviour of electrons have the possibility, at the other end of the scale, to predict the performance of a material for a targeted application. In some cases, this is achievable using density functional theory (DFT). In this Review, we highlight DFT studies predicting energy-related materials that were subsequently confirmed experimentally. The attributes and limitations of DFT for the computational design of materials for lithium-ion batteries, hydrogen production and storage materials, superconductors, photovoltaics and thermoelectric materials are discussed. In the future, we expect that the accuracy of DFT-based methods will continue to improve and that growth in computing power will enable millions of materials to be virtually screened for specific applications. Thus, these examples represent a first glimpse of what may become a routine and integral step in materials discovery.

Functional conjugated pyridines via main-group element tuning.

PubMed

Stolar, Monika; Baumgartner, Thomas

2018-03-29

Pyridine-based materials have seen widespread attention for the development of n-type organic materials. In recent years, the incorporation of main-group elements has also explored significant advantages for the development and tunability of organic conjugated materials. The unique chemical and electronic structure of main-group elements has led to several enhancements in conventional organic materials. This Feature article highlights recent main-group based pyridine materials by discussing property enhancements and application in organic electronics.

Stretchable living materials and devices with hydrogel–elastomer hybrids hosting programmed cells

PubMed Central

Liu, Xinyue; Tang, Tzu-Chieh; Tham, Eléonore; Yuk, Hyunwoo; Lin, Shaoting; Lu, Timothy K.; Zhao, Xuanhe

2017-01-01

Living systems, such as bacteria, yeasts, and mammalian cells, can be genetically programmed with synthetic circuits that execute sensing, computing, memory, and response functions. Integrating these functional living components into materials and devices will provide powerful tools for scientific research and enable new technological applications. However, it has been a grand challenge to maintain the viability, functionality, and safety of living components in freestanding materials and devices, which frequently undergo deformations during applications. Here, we report the design of a set of living materials and devices based on stretchable, robust, and biocompatible hydrogel–elastomer hybrids that host various types of genetically engineered bacterial cells. The hydrogel provides sustainable supplies of water and nutrients, and the elastomer is air-permeable, maintaining long-term viability and functionality of the encapsulated cells. Communication between different bacterial strains and with the environment is achieved via diffusion of molecules in the hydrogel. The high stretchability and robustness of the hydrogel–elastomer hybrids prevent leakage of cells from the living materials and devices, even under large deformations. We show functions and applications of stretchable living sensors that are responsive to multiple chemicals in a variety of form factors, including skin patches and gloves-based sensors. We further develop a quantitative model that couples transportation of signaling molecules and cellular response to aid the design of future living materials and devices. PMID:28202725

Analysis of Photothermal Characterization of Layered Materials: Design of Optimal Experiments

NASA Technical Reports Server (NTRS)

Cole, Kevin D.

2003-01-01

In this paper numerical calculations are presented for the steady-periodic temperature in layered materials and functionally-graded materials to simulate photothermal methods for the measurement of thermal properties. No laboratory experiments were performed. The temperature is found from a new Green s function formulation which is particularly well-suited to machine calculation. The simulation method is verified by comparison with literature data for a layered material. The method is applied to a class of two-component functionally-graded materials and results for temperature and sensitivity coefficients are presented. An optimality criterion, based on the sensitivity coefficients, is used for choosing what experimental conditions will be needed for photothermal measurements to determine the spatial distribution of thermal properties. This method for optimal experiment design is completely general and may be applied to any photothermal technique and to any functionally-graded material.

Electron work function–a promising guiding parameter for material design

PubMed Central

Lu, Hao; Liu, Ziran; Yan, Xianguo; Li, Dongyang; Parent, Leo; Tian, Harry

2016-01-01

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. PMID:27074974

Functionalization of graphene for efficient energy conversion and storage.

PubMed

Dai, Liming

2013-01-15

As global energy consumption accelerates at an alarming rate, the development of clean and renewable energy conversion and storage systems has become more important than ever. Although the efficiency of energy conversion and storage devices depends on a variety of factors, their overall performance strongly relies on the structure and properties of the component materials. Nanotechnology has opened up new frontiers in materials science and engineering to meet this challenge by creating new materials, particularly carbon nanomaterials, for efficient energy conversion and storage. As a building block for carbon materials of all other dimensionalities (such as 0D buckyball, 1D nanotube, 3D graphite), the two-dimensional (2D) single atomic carbon sheet of graphene has emerged as an attractive candidate for energy applications due to its unique structure and properties. Like other materials, however, a graphene-based material that possesses desirable bulk properties rarely features the surface characteristics required for certain specific applications. Therefore, surface functionalization is essential, and researchers have devised various covalent and noncovalent chemistries for making graphene materials with the bulk and surface properties needed for efficient energy conversion and storage. In this Account, I summarize some of our new ideas and strategies for the controlled functionalization of graphene for the development of efficient energy conversion and storage devices, such as solar cells, fuel cells, supercapacitors, and batteries. The dangling bonds at the edge of graphene can be used for the covalent attachment of various chemical moieties while the graphene basal plane can be modified via either covalent or noncovalent functionalization. The asymmetric functionalization of the two opposite surfaces of individual graphene sheets with different moieties can lead to the self-assembly of graphene sheets into hierarchically structured materials. Judicious application of these site-selective reactions to graphene sheets has opened up a rich field of graphene-based energy materials with enhanced performance in energy conversion and storage. These results reveal the versatility of surface functionalization for making sophisticated graphene materials for energy applications. Even though many covalent and noncovalent functionalization methods have already been reported, vast opportunities remain for developing novel graphene materials for highly efficient energy conversion and storage systems.

Modeling the microstructure of surface by applying BRDF function

NASA Astrophysics Data System (ADS)

Plachta, Kamil

2017-06-01

The paper presents the modeling of surface microstructure using a bidirectional reflectance distribution function. This function contains full information about the reflectance properties of the flat surfaces - it is possible to determine the share of the specular, directional and diffuse components in the reflected luminous stream. The software is based on the authorial algorithm that uses selected elements of this function models, which allows to determine the share of each component. Basing on obtained data, the surface microstructure of each material can be modeled, which allows to determine the properties of this materials. The concentrator directs the reflected solar radiation onto the photovoltaic surface, increasing, at the same time, the value of the incident luminous stream. The paper presents an analysis of selected materials that can be used to construct the solar concentrator system. The use of concentrator increases the power output of the photovoltaic system by up to 17% as compared to the standard solution.

Left Handed Materials Based on Magnetic Nanocomposites

DTIC Science & Technology

2006-10-18

theory that unifies DNMs and SNMs as a function of two flmdamental material parameters: quality factors for permittivity (Qe=e’/e") and permeability (Qu...simultaneously negative effective permeability/uff and permittivity Seff to form LHM or only single negative parameter (SNM) to form negative indexed...developed a theory that unifies DNMs and SNMs as a function of two fundamental material parameters: quality factors for permittivity (Q, = -’/ 6") and

Whispering gallery mode resonators based on radiation-sensitive materials

NASA Technical Reports Server (NTRS)

Savchenkov, Anatoliy (Inventor); Maleki, Lutfollah (Inventor); Ilchenko, Vladimir (Inventor); Handley, Timothy A. (Inventor)

2005-01-01

Whispering gallery mode (WGM) optical resonators formed of radiation-sensitive materials to allow for permanent tuning of their resonance frequencies in a controlled manner. Two WGM resonators may be cascaded to form a composite filter to produce a second order filter function where at least one WGM resonator is formed a radiation-sensitive material to allow for proper control in the overlap of the two filter functions.

Reliability-Based Design Optimization of a Composite Airframe Component

NASA Technical Reports Server (NTRS)

Pai, Shantaram S.; Coroneos, Rula; Patnaik, Surya N.

2011-01-01

A stochastic optimization methodology (SDO) has been developed to design airframe structural components made of metallic and composite materials. The design method accommodates uncertainties in load, strength, and material properties that are defined by distribution functions with mean values and standard deviations. A response parameter, like a failure mode, has become a function of reliability. The primitive variables like thermomechanical loads, material properties, and failure theories, as well as variables like depth of beam or thickness of a membrane, are considered random parameters with specified distribution functions defined by mean values and standard deviations.

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

Dag, Serkan; Yildirim, Bora; Sabuncuoglu, Baris

The objective of this study is to develop crack growth analysis methods for functionally graded materials (FGMs) subjected to mode I cyclic loading. The study presents finite elements based computational procedures for both two and three dimensional problems to examine fatigue crack growth in functionally graded materials. Developed methods allow the computation of crack length and generation of crack front profile for a graded medium subjected to fluctuating stresses. The results presented for an elliptical crack embedded in a functionally graded medium, illustrate the competing effects of ellipse aspect ratio and material property gradation on the fatigue crack growth behavior.

A 3D printing method for droplet-based biomolecular materials

NASA Astrophysics Data System (ADS)

Challita, Elio J.; Najem, Joseph S.; Freeman, Eric C.; Leo, Donald J.

2017-04-01

The field of developing biomolecular droplet-based materials using a bottom-up approach remains underexplored. Producing tissue-like materials, from entirely synthetic components, presents an innovative method to reconstruct the functions of life within artificial materials. Aqueous droplets, encased with lipid monolayers, may be linked via bilayer interfaces to make up structures that resemble biological tissues. Here we present the design and development of an easy-to-build 3D printer for the fabrication of tissue-like biomolecular materials from cell-sized aqueous droplets. The droplets are generated using a snap off technique, capable of generating 30 droplets per minute. The printed network of droplets may also be functionalized with various types of membrane proteins to achieve desired engineering applications like sensing and actuation, or to mimic electrical communication in biological systems. Voltage sensitive channels are introduced into selected droplets to create a conductive path with the material in the presence of an external field.

Graphene-based hybrid structures combined with functional materials of ferroelectrics and semiconductors.

PubMed

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.

Graphene-based hybrid structures combined with functional materials of ferroelectrics and semiconductors

NASA Astrophysics Data System (ADS)

Jie, Wenjing; Hao, Jianhua

2014-05-01

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.

Cyclodextrin-based supramolecular systems for drug delivery: Recent progress and future perspective

PubMed Central

Zhang, Jianxiang; Ma, Peter X

2013-01-01

The excellent biocompatibility and unique inclusion capability as well as powerful functionalization capacity of cyclodextrins and their derivatives make them especially attractive for engineering novel functional materials for biomedical applications. There has been increasing interest recently to fabricate supramolecular systems for drug and gene delivery based on cyclodextrin materials. This review focuses on state of the art and recent advances in the construction of cyclodextrin-based assemblies and their applications for controlled drug delivery. First, we introduce cyclodextrin materials utilized for self-assembly. The fabrication technologies of supramolecular systems including nanoplatforms and hydrogels as well as their applications in nanomedicine and pharmaceutical sciences are then highlighted. At the end, the future directions of this field are discussed. PMID:23673149

Discriminating electromagnetic radiation based on angle of incidence

DOEpatents

Hamam, Rafif E.; Bermel, Peter; Celanovic, Ivan; Soljacic, Marin; Yeng, Adrian Y. X.; Ghebrebrhan, Michael; Joannopoulos, John D.

2015-06-16

The present invention provides systems, articles, and methods for discriminating electromagnetic radiation based upon the angle of incidence of the electromagnetic radiation. In some cases, the materials and systems described herein can be capable of inhibiting reflection of electromagnetic radiation (e.g., the materials and systems can be capable of transmitting and/or absorbing electromagnetic radiation) within a given range of angles of incidence at a first incident surface, while substantially reflecting electromagnetic radiation outside the range of angles of incidence at a second incident surface (which can be the same as or different from the first incident surface). A photonic material comprising a plurality of periodically occurring separate domains can be used, in some cases, to selectively transmit and/or selectively absorb one portion of incoming electromagnetic radiation while reflecting another portion of incoming electromagnetic radiation, based upon the angle of incidence. In some embodiments, one domain of the photonic material can include an isotropic dielectric function, while another domain of the photonic material can include an anisotropic dielectric function. In some instances, one domain of the photonic material can include an isotropic magnetic permeability, while another domain of the photonic material can include an anisotropic magnetic permeability. In some embodiments, non-photonic materials (e.g., materials with relatively large scale features) can be used to selectively absorb incoming electromagnetic radiation based on angle of incidence.

Self-Assembled Materials Made from Functional Recombinant Proteins.

PubMed

Jang, Yeongseon; Champion, Julie A

2016-10-18

Proteins are potent molecules that can be used as therapeutics, sensors, and biocatalysts with many advantages over small-molecule counterparts due to the specificity of their activity based on their amino acid sequence and folded three-dimensional structure. However, they also have significant limitations in their stability, localization, and recovery when used in soluble form. These opportunities and challenges have motivated the creation of materials from such functional proteins in order to protect and present them in a way that enhances their function. We have designed functional recombinant fusion proteins capable of self-assembling into materials with unique structures that maintain or improve the functionality of the protein. Fusion of either a functional protein or an assembly domain to a leucine zipper domain makes the materials design strategy modular, based on the high affinity between leucine zippers. The self-assembly domains, including elastin-like polypeptides (ELPs) and defined-sequence random coil polypeptides, can be fused with a leucine zipper motif in order to promote assembly of the fusion proteins into larger structures upon specific stimuli such as temperature and ionic strength. Fusion of other functional domains with the counterpart leucine zipper motif endows the self-assembled materials with protein-specific functions such as fluorescence or catalytic activity. In this Account, we describe several examples of materials assembled from functional fusion proteins as well as the structural characterization, functionality, and understanding of the assembly mechanism. The first example is zipper fusion proteins containing ELPs that assemble into particles when introduced to a model extracellular matrix and subsequently disassemble over time to release the functional protein for drug delivery applications. Under different conditions, the same fusion proteins can self-assemble into hollow vesicles. The vesicles display a functional protein on the surface and can also carry protein, small-molecule, or nanoparticle cargo in the vesicle lumen. To create a material with a more complex hierarchical structure, we combined calcium phosphate with zipper fusion proteins containing random coil polypeptides to produce hybrid protein-inorganic supraparticles with high surface area and porous structure. The use of a functional enzyme created supraparticles with the ability to degrade inflammatory cytokines. Our characterization of these protein materials revealed that the molecular interactions are complex because of the large size of the protein building blocks, their folded structures, and the number of potential interactions including hydrophobic interactions, electrostatic interactions, van der Waals forces, and specific affinity-based interactions. It is difficult or even impossible to predict the structures a priori. However, once the basic assembly principles are understood, there is opportunity to tune the material properties, such as size, through control of the self-assembly conditions. Our future efforts on the fundamental side will focus on identifying the phase space of self-assembly of these fusion proteins and additional experimental levers with which to control and tune the resulting materials. On the application side, we are investigating an array of different functional proteins to expand the use of these structures in both therapeutic protein delivery and biocatalysis.

Regenerated silk materials for functionalized silk orthopedic devices by mimicking natural processing

PubMed Central

Li, Chunmei; Hotz, Blake; Ling, Shengjie; Guo, Jin; Haas, Dylan S.; Marelli, Benedetto; Omenetto, Fiorenzo; Lin, Samuel J.; Kaplan, David L.

2016-01-01

Silk fibers spun by silkworms and spiders exhibit exceptional mechanical properties with a unique combination of strength, extensibility and toughness. In contrast, the mechanical properties of regenerated silk materials can be tuned through control of the fabrication process. Here we introduce a biomimetic, all-aqueous process, to obtain bulk regenerated silk-based materials for the fabrication of functionalized orthopedic devices. The silk materials generated in the process replicate the nano-scale structure of natural silk fibers and possess excellent mechanical properties. The biomimetic materials demonstrated excellent machinability, providing a path towards the fabrication of a new family of resorbable orthopedic devices where organic solvents are avoided, thus allowing functionalization with bioactive molecules to promote bone remodeling and integration. PMID:27697669

Design of Functional Materials based on Liquid Crystalline Droplets.

PubMed

Miller, Daniel S; Wang, Xiaoguang; Abbott, Nicholas L

2014-01-14

This brief perspective focuses on recent advances in the design of functional soft materials that are based on confinement of low molecular weight liquid crystals (LCs) within micrometer-sized droplets. While the ordering of LCs within micrometer-sized domains has been explored extensively in polymer-dispersed LC materials, recent studies performed with LC domains with precisely defined size and interfacial chemistry have unmasked observations of confinement-induced ordering of LCs that do not follow previously reported theoretical predictions. These new findings, which are enabled in part by advances in the preparation of LCs encapsulated in polymeric shells, are opening up new opportunities for the design of soft responsive materials based on surface-induced ordering transitions. These materials are also providing new insights into the self-assembly of biomolecular and colloidal species at defects formed by LCs confined to micrometer-sized domains. The studies presented in this perspective serve additionally to highlight gaps in knowledge regarding the ordering of LCs in confined systems.

Optical Limiting Materials Based on Gold Nanoparticles

DTIC Science & Technology

2014-04-30

of the electromagnetic spectrum. 2. Functionalization of the surface of the gold nanoparticles with selected organic and inorganic materials, with...F. A Review of Optical Limiting Mechanisms and Devices Using Organics, Fullerenes , Semiconductors and Other Materials. Prog. Quant. Electr. 1993

A Functional Specification for a Programming Language for Computer Aided Learning Applications.

ERIC Educational Resources Information Center

National Research Council of Canada, Ottawa (Ontario).

In 1972 there were at least six different course authoring languages in use in Canada with little exchange of course materials between Computer Assisted Learning (CAL) centers. In order to improve facilities for producing "transportable" computer based course materials, a working panel undertook the definition of functional requirements of a user…

Force Project Technology Presentation to the NRCC

DTIC Science & Technology

2014-02-04

Functional Bridge components Smart Odometer Adv Pretreatment Smart Bridge Multi-functional Gap Crossing Fuel Automated Tracking System Adv...comprehensive matrix of candidate composite material systems and textile reinforcement architectures via modeling/analyses and testing. Product(s...Validated Dynamic Modeling tool based on parametric study using material models to reliably predict the textile mechanics of the hose

Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties

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

Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy

2011-03-17

Thiophene-based semiconductors are often hole conductors that have been converted to electron-transporting materials by incorporation of electron-withdrawing groups at terminal positions, such as fluorinated substituents. This conversion of an otherwise p-type material to n-type material is often attributed to the lowering of the lowest unoccupied molecular orbital (LUMO) energy level due to the increased electron affinity in the molecule. Yet, it is not clear if lowering of LUMO energy level is a sufficient condition for yielding n-type material. Herein, we report small-molecule semiconductors based on cyclopentadithiophene (CPD), which can be orthogonally functionalized at two different positions, which allows us tomore » tune the frontier orbital energy levels. We find that simply lowering the LUMO energy level, without inclusion of fluoro groups, does not result in conversion of the otherwise p-type material to n-type material, whereas incorporation of fluorinated substituents does. This indicates that charge transport behavior is not an exclusive function of the frontier orbital energy levels.« less

A level set-based topology optimization method for simultaneous design of elastic structure and coupled acoustic cavity using a two-phase material model

NASA Astrophysics Data System (ADS)

Noguchi, Yuki; Yamamoto, Takashi; Yamada, Takayuki; Izui, Kazuhiro; Nishiwaki, Shinji

2017-09-01

This papers proposes a level set-based topology optimization method for the simultaneous design of acoustic and structural material distributions. In this study, we develop a two-phase material model that is a mixture of an elastic material and acoustic medium, to represent an elastic structure and an acoustic cavity by controlling a volume fraction parameter. In the proposed model, boundary conditions at the two-phase material boundaries are satisfied naturally, avoiding the need to express these boundaries explicitly. We formulate a topology optimization problem to minimize the sound pressure level using this two-phase material model and a level set-based method that obtains topologies free from grayscales. The topological derivative of the objective functional is approximately derived using a variational approach and the adjoint variable method and is utilized to update the level set function via a time evolutionary reaction-diffusion equation. Several numerical examples present optimal acoustic and structural topologies that minimize the sound pressure generated from a vibrating elastic structure.

An effective method to screen sodium-based layered materials for sodium ion batteries

NASA Astrophysics Data System (ADS)

Zhang, Xu; Zhang, Zihe; Yao, Sai; Chen, An; Zhao, Xudong; Zhou, Zhen

2018-03-01

Due to the high cost and insufficient resource of lithium, sodium-ion batteries are widely investigated for large-scale applications. Typically, insertion-type materials possess better cyclic stability than alloy-type and conversion-type ones. Therefore, in this work, we proposed a facile and effective method to screen sodium-based layered materials based on Materials Project database as potential candidate insertion-type materials for sodium ion batteries. The obtained Na-based layered materials contains 38 kinds of space group, which reveals that the credibility of our screening approach would not be affected by the space group. Then, some important indexes of the representative materials, including the average voltage, volume change and sodium ion mobility, were further studied by means of density functional theory computations. Some materials with extremely low volume changes and Na diffusion barriers are promising candidates for sodium ion batteries. We believe that our classification algorithm could also be used to search for other alkali and multivalent ion-based layered materials, to accelerate the development of battery materials.

Final Technical Report for DE-SC0001878 [Theory and Simulation of Defects in Oxide Materials

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

Chelikowsky, James R.

2014-04-14

We explored a wide variety of oxide materials and related problems, including materials at the nanoscale and generic problems associated with oxide materials such as the development of more efficient computational tools to examine these materials. We developed and implemented methods to understand the optical and structural properties of oxides. For ground state properties, our work is predominantly based on pseudopotentials and density functional theory (DFT), including new functionals and going beyond the local density approximation (LDA): LDA+U. To study excited state properties (quasiparticle and optical excitations), we use time dependent density functional theory, the GW approach, and GW plusmore » Bethe-Salpeter equation (GW-BSE) methods based on a many-body Green function approaches. Our work focused on the structural, electronic, optical and magnetic properties of defects (such as oxygen vacancies) in hafnium oxide, titanium oxide (both bulk and clusters) and related materials. We calculated the quasiparticle defect states and charge transition levels of oxygen vacancies in monoclinic hafnia. we presented a milestone G0W0 study of two of the crystalline phases of dye-sensitized TiO{sub 2} clusters. We employed hybrid density functional theory to examine the electronic structure of sexithiophene/ZnO interfaces. To identify the possible effect of epitaxial strain on stabilization of the ferromagnetic state of LaCoO{sub 3} (LCO), we compare the total energy of the magnetic and nonmagnetic states of the strained theoretical bulk structure.« less

Nucleophilic substitution reaction for post-functionalization of polyoxometalates

DOE PAGES

Yin, Panchao; Li, Qiang; Zhang, Jin; ...

2015-07-06

In this study, a hexamolybdate-based organic inorganic hybrid molecule containing a chloralkane fragment is synthesized and its Cl atom can be substituted by iodine and nitrate through nucleophilic substitution reactions in high yields, which provide a post-functionalization protocol to bring in various additional functional groups into polyoxometalate-based hybrid materials under mild conditions.

Adaptive polymeric nanomaterials utilizing reversible covalent and hydrogen bonding

NASA Astrophysics Data System (ADS)

Neikirk, Colin

Adaptive materials based on stimuli responsive and reversible bonding moieties are a rapidly developing area of materials research. Advances in supramolecular chemistry are now being adapted to novel molecular architectures including supramolecular polymers to allow small, reversible changes in molecular and nanoscale structure to affect large changes in macroscale properties. Meanwhile, dynamic covalent chemistry provides a complementary approach that will also play a role in the development of smart adaptive materials. In this thesis, we present several advances to the field of adaptive materials and also provide relevant insight to the areas of polymer nanocomposites and polymer nanoparticles. First, we have utilized the innate molecular recognition and binding capabilities of the quadruple hydrogen bonding group ureidopyrimidinone (UPy) to prepare supramolecular polymer nanocomposites based on supramolecular poly(caprolactone) which show improved mechanical properties, but also an increase in particle aggregation with nanoparticle UPy functionalization. We also present further insight into the relative effects of filler-filler, filler-matrix, and matrix-matrix interactions using a UPy side-chain functional poly(butyl acrylate). These nanocomposites have markedly different behavior depending on the amount of UPy sidechain functionality. Meanwhile, our investigations of reversible photo-response showed that coumarin functionality in polymer nanoparticles not only facilitates light mediated aggregation/dissociation behavior, but also provides a substantial overall reduction in particle size and improvement in nanoparticle stability for particles prepared by Flash NanoPrecipitation. Finally, we have combined these stimuli responsive motifs as a starting point for the development of multiresponsive adaptive materials. The synthesis of a library of multifunctional materials has provided a strong base for future research in this area, although our initial investigations were ultimately unsuccessful due to photodegradation of the UPy moiety in chloroform solution. This thesis has provided the Priestley lab with a solid base for the further investigation of the diverse applications and unsolved science of stimuli responsive adaptive materials.

Functional Nanostructured Materials Based on Polymerized Surfactant Liquid Crystal Assemblies Liquid Crystal Assemblies

NASA Astrophysics Data System (ADS)

Gin, Douglas

2003-03-01

The development of materials with controlled nanostructures is one of the most important new areas of scientific research in chemistry and engineering. Our research group has developed a novel approach for making nanostructured polymer materials with unique functional properties using liquid crystals as starting materials. In this approach, we design polymerizable organic building blocks based on lyotropic liquid crystals (LLCs) (i.e., amphiphiles or surfactants) that carry, or can accommodate, a functional property of general interest. Through appropriate molecular design, these monomers self-assemble in the presence of water into fluid, yet ordered phase-separated, water-hydrocarbon assemblies with predictable nanoscale geometries. The architectures of these LLC phases can range from stacked two-dimensional lamellae to hexagonally ordered cylindrical channels with uniform feature sizes in the 1-10 nm range. These LLC phases are then photopolymerized into robust polymer networks with preservation of their small-scale structures. This approach allows us to investigate the effect of nanometer-scale architecture on important bulk properties, as well as to engineer chemical environments on the nanometer-scale for several areas of application. In this talk, new functional materials based on the polymerization of the lyotropic inverted hexagonal phase will be presented as one example of our general approach. Issues in the design and photopolymerization of functional amphiphilic monomers that adopt this LC architecture will be discussed. More importantly, the use of the resulting nanostructured polymer networks in three areas of application will be presented: (1) as templates for the synthesis of functional nanocomposites; (2) as tunable heterogeneous catalysts, and (3) as nanoporous membrane and separation media. In particular, issues pertaining to the contribution of nanoscale architecture to the performance of these systems will be highlighted. Opportunities for tailoring the nanoscale chemical environment and architecture of these materials through molecular design will be presented. Finally, the development of methods for controlling macroscopic orientation through processing will also be discussed.

A novel material detection algorithm based on 2D GMM-based power density function and image detail addition scheme in dual energy X-ray images.

PubMed

Pourghassem, Hossein

2012-01-01

Material detection is a vital need in dual energy X-ray luggage inspection systems at security of airport and strategic places. In this paper, a novel material detection algorithm based on statistical trainable models using 2-Dimensional power density function (PDF) of three material categories in dual energy X-ray images is proposed. In this algorithm, the PDF of each material category as a statistical model is estimated from transmission measurement values of low and high energy X-ray images by Gaussian Mixture Models (GMM). Material label of each pixel of object is determined based on dependency probability of its transmission measurement values in the low and high energy to PDF of three material categories (metallic, organic and mixed materials). The performance of material detection algorithm is improved by a maximum voting scheme in a neighborhood of image as a post-processing stage. Using two background removing and denoising stages, high and low energy X-ray images are enhanced as a pre-processing procedure. For improving the discrimination capability of the proposed material detection algorithm, the details of the low and high energy X-ray images are added to constructed color image which includes three colors (orange, blue and green) for representing the organic, metallic and mixed materials. The proposed algorithm is evaluated on real images that had been captured from a commercial dual energy X-ray luggage inspection system. The obtained results show that the proposed algorithm is effective and operative in detection of the metallic, organic and mixed materials with acceptable accuracy.

An approach for maximizing the smallest eigenfrequency of structure vibration based on piecewise constant level set method

NASA Astrophysics Data System (ADS)

Zhang, Zhengfang; Chen, Weifeng

2018-05-01

Maximization of the smallest eigenfrequency of the linearized elasticity system with area constraint is investigated. The elasticity system is extended into a large background domain, but the void is vacuum and not filled with ersatz material. The piecewise constant level set (PCLS) method is applied to present two regions, the original material region and the void region. A quadratic PCLS function is proposed to represent the characteristic function. Consequently, the functional derivative of the smallest eigenfrequency with respect to PCLS function takes nonzero value in the original material region and zero in the void region. A penalty gradient algorithm is proposed, which initializes the whole background domain with the original material and decreases the area of original material region till the area constraint is satisfied. 2D and 3D numerical examples are presented, illustrating the validity of the proposed algorithm.

A High-Performance Nanocomposite Material Based on Functionalized Carbon Nanotube and Polymer for Gas Sensing Applications

NASA Astrophysics Data System (ADS)

Wang, L. C.; Tang, K. T.; Kuo, C. T.; Yang, S. R.; Sung, Yuh; Hsu, H. L.; Jehng, J. M.

2009-05-01

The aim of this study is to develop a novel chemical gas sensing nanocomposite material. The traditional use for carbon nanotube in gas sensing polymer is to increase the composite's conductivity. However, we added functionalized carbon nanotube to fill the free volume of the sensing polymer films and enhance the gas absorption/desorption response time of these nanocomposites. These sensing materials were prepared by mixing functionalized multiwalled carbon nanotubes (MWNTs) and Poly (n, n dimethylamino propylsilsequioxane) SXNR polymer. These new materials were coated on the Surface Acoustic Wave (SAW) device, which is expected to increase its sensitivity in analyzing specific classes of vapors. The proposed materials showed an enhanced sensitivity upon exposure to ethanol and dimethyl methylphosphonate (Dmmp) vapors. Additionally, the performances of our nanocomposite film are much higher than those polymers without functionalized carbon nanotubes.

Biphasic DC measurement approach for enhanced measurement stability and multi-channel sampling of self-sensing multi-functional structural materials doped with carbon-based additives

NASA Astrophysics Data System (ADS)

Downey, Austin; D'Alessandro, Antonella; Ubertini, Filippo; Laflamme, Simon; Geiger, Randall

2017-06-01

Investigation of multi-functional carbon-based self-sensing structural materials for structural health monitoring applications is a topic of growing interest. These materials are self-sensing in the sense that they can provide measurable electrical outputs corresponding to physical changes such as strain or induced damage. Nevertheless, the development of an appropriate measurement technique for such materials is yet to be achieved, as many results in the literature suggest that these materials exhibit a drift in their output when measured with direct current (DC) methods. In most of the cases, the electrical output is a resistance and the reported drift is an increase in resistance from the time the measurement starts due to material polarization. Alternating current methods seem more appropriate at eliminating the time drift. However, published results show they are not immune to drift. Moreover, the use of multiple impedance measurement devices (LCR meters) does not allow for the simultaneous multi-channel sampling of multi-sectioned self-sensing materials due to signal crosstalk. The capability to simultaneously monitor multiple sections of self-sensing structural materials is needed to deploy these multi-functional materials for structural health monitoring. Here, a biphasic DC measurement approach with a periodic measure/discharge cycle in the form of a square wave sensing current is used to provide consistent, stable resistance measurements for self-sensing structural materials. DC measurements are made during the measurement region of the square wave while material depolarization is obtained during the discharge region of the periodic signal. The proposed technique is experimentally shown to remove the signal drift in a carbon-based self-sensing cementitious material while providing simultaneous multi-channel measurements of a multi-sectioned self-sensing material. The application of the proposed electrical measurement technique appears promising for real-time utilization of self-sensing materials in structural health monitoring.

Theoretical Development of an Orthotropic Elasto-Plastic Generalized Composite Material Model

NASA Technical Reports Server (NTRS)

Goldberg, Robert; Carney, Kelly; DuBois, Paul; Hoffarth, Canio; Harrington, Joseph; Rajan, Subramaniam; Blankenhorn, Gunther

2014-01-01

The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites is becoming critical as these materials are gaining increased usage in the aerospace and automotive industries. While there are several composite material models currently available within LSDYNA (Livermore Software Technology Corporation), there are several features that have been identified that could improve the predictive capability of a composite model. To address these needs, a combined plasticity and damage model suitable for use with both solid and shell elements is being developed and is being implemented into LS-DYNA as MAT_213. A key feature of the improved material model is the use of tabulated stress-strain data in a variety of coordinate directions to fully define the stress-strain response of the material. To date, the model development efforts have focused on creating the plasticity portion of the model. The Tsai-Wu composite failure model has been generalized and extended to a strain-hardening based orthotropic yield function with a nonassociative flow rule. The coefficients of the yield function, and the stresses to be used in both the yield function and the flow rule, are computed based on the input stress-strain curves using the effective plastic strain as the tracking variable. The coefficients in the flow rule are computed based on the obtained stress-strain data. The developed material model is suitable for implementation within LS-DYNA for use in analyzing the nonlinear response of polymer composites.

Topology optimized design of functionally graded piezoelectric ultrasonic transducers

NASA Astrophysics Data System (ADS)

Rubio, Wilfredo Montealegre; Buiochi, Flávio; Adamowski, Julio Cezar; Silva, Emílio C. N.

2010-01-01

This work presents a new approach to systematically design piezoelectric ultrasonic transducers based on Topology Optimization Method (TOM) and Functionally Graded Material (FGM) concepts. The main goal is to find the optimal material distribution of Functionally Graded Piezoelectric Ultrasonic Transducers, to achieve the following requirements: (i) the transducer must be designed to have a multi-modal or uni-modal frequency response, which defines the kind of generated acoustic wave, either short pulse or continuous wave, respectively; (ii) the transducer is required to oscillate in a thickness extensional mode or piston-like mode, aiming at acoustic wave generation applications. Two kinds of piezoelectric materials are mixed for producing the FGM transducer. Material type 1 represents a PZT-5A piezoelectric ceramic and material type 2 represents a PZT-5H piezoelectric ceramic. To illustrate the proposed method, two Functionally Graded Piezoelectric Ultrasonic Transducers are designed. The TOM has shown to be a useful tool for designing Functionally Graded Piezoelectric Ultrasonic Transducers with uni-modal or multi-modal dynamic behavior.

Understanding the Effect of Plastic Deformation on Elastic Modulus of Metals Based on a Percolation Model with Electron Work Function

NASA Astrophysics Data System (ADS)

Li, Qingda; Hua, Guomin; Lu, Hao; Yu, Bin; Li, D. Y.

2018-05-01

The elastic modulus of materials is usually treated as a constant in engineering applications. However, plastic deformation may result in changes in the elastic modulus of metallic materials. Using brass, aluminum, and low-carbon steel as sample materials, it is demonstrated that plastic deformation decreased the elastic modulus of the materials by 10% to 20%. A percolation model incorporating the electron work function is proposed to correlate such plastic-strain-induced variations in the elastic modulus to corresponding changes in the electron work function. Efforts are made to understand the observed phenomenon on an electronic basis. The obtained experimental results are consistent with the theoretical analysis.

Nanomaterials for Space Exploration Applications

NASA Technical Reports Server (NTRS)

Moloney, Padraig G.

2006-01-01

Nano-engineered materials are multi-functional materials with superior mechanical, thermal and electrical properties. Nanomaterials may be used for a variety of space exploration applications, including ultracapacitors, active/passive thermal management materials, and nanofiltration for water recovery. Additional applications include electrical power/energy storage systems, hybrid systems power generation, advanced proton exchange membrane fuel cells, and air revitalization. The need for nanomaterials and their growth, characterization, processing and space exploration applications is discussed. Data is presented for developing solid-supported amine adsorbents based on carbon nanotube materials and functionalization of nanomaterials is examined.

Dynamic Camouflage Materials Based on Silk-Reflectin Chimeras

DTIC Science & Technology

2012-08-01

Dynamic Camouflage Materials Based on Silk -Reflectin Chimeras Final Performance Report for FA9550-09-1-0513 (Program Manager: Hugh DeLong...efforts to bioengineer silk -reflectin chimeric proteins, with the silk component serving as one of the organizing elements for material functions and...Further contributions may also come from the silk due to its novel light guiding properties and diffractive optics. Variants in silk block sizes

[Status of traditional Chinese medicine materials seed and seedling breeding bases].

PubMed

Li, Ying; Huang, Lu-Qi; Zhang, Xiao-Bo; Wang, Hui; Cheng, Meng; Zhang, Tian; Yang, Guang

2017-11-01

Seeds and seedlings are the material basis of traditional Chinese medicine materials production, and the construction of traditional Chinese medicine materials seed and seedling breeding bases is beneficial to the production of high-quality traditional Chinese medicine materials. The construction of traditional Chinese medicine materials seed and seedling breeding bases is one of the major topics of Chinese medica resources census pilot. Targets, tasks of traditional Chinese medicine materials seed and seedling breeding bases based on Chinese medica resources census pilot were expounded.Construction progress including hardware construction, germplasm conservation and breeding, procedures and standardsestablishment, social servicesare presented. Development counter measures were proposed for the next step: perfect the standard and system, maintain and strengthen the breeding function, strengthen the cultivation of multi-level talents, explore market development model, joint efforts to deepen services and development. Copyright© by the Chinese Pharmaceutical Association.

Guiding osteogenesis of mesenchymal stem cells using carbon-based nanomaterials

NASA Astrophysics Data System (ADS)

Kang, Ee-Seul; Kim, Da-Seul; Suhito, Intan Rosalina; Choo, Sung-Sik; Kim, Seung-Jae; Song, Inbeom; Kim, Tae-Hyung

2017-01-01

In the field of regenerative medicine, stem cells are highly promising due to their innate ability to generate multiple types of cells that could replace/repair damaged parts of human organs and tissues. It has been reported that both in vitro and in vivo function/survival of stem cells could significantly be improved by utilizing functional materials such as biodegradable polymers, metal composites, nanopatterns and nanohybrid particles. Of various biocompatible materials available for use in stem cell-based therapy and research, carbon-based materials—including fullerenes graphene/graphene oxide and carbon nanotubes—have been found to possess unique physicochemical characteristics that contribute to the effective guidance of stem cell differentiation into specific lineages. In this review, we discuss a number of previous reports that investigated the use of carbon-based materials to control stem cell behavior, with a particular focus on their immense potential to guide the osteogenesis of mesenchymal stem cells (MSCs). We hope that this review will provide information on the full potential of using various carbon-based materials in stem cell-mediated regenerative therapy, particularly for bone regeneration and repair.

Assessment of Thermal Performance of Functionally Graded Materials in Longitudinal Fins

NASA Astrophysics Data System (ADS)

Hassanzadeh, R.; Bilgili, M.

2018-01-01

Assessment of the thermal characteristics of materials in heat exchangers with longitudinal fins is performed in the case where a conventional homogeneous material of a longitudinal fin is replaced by a functionally graded one, in which the fin material properties, such as the conductivity, are assumed to be graded as linear and power-law functions along the normal axis from the fin base to the fin tip. The resulting equations are calculated under two (Dirichlet and Neumann) boundary conditions. The equations are solved by an approximate analytical method with the use of the mean value theorem. The results show that the inhomogeneity index of a functionally graded material plays an important role for the thermal energy characteristics in such heat exchangers. In addition, it is observed that the use of such a material in longitudinal fins enhances the rate of heat transfer between the fin surface and surrounding fluid. Hopefully, the results obtained in the study will arouse interest of designers in heat exchange industry.

Waveguide-based electro-absorption modulator performance: comparative analysis

NASA Astrophysics Data System (ADS)

Amin, Rubab; Khurgin, Jacob B.; Sorger, Volker J.

2018-06-01

Electro-optic modulation is a key function for data communication. Given the vast amount of data handled, understanding the intricate physics and trade-offs of modulators on-chip allows revealing performance regimes not explored yet. Here we show a holistic performance analysis for waveguide-based electro-absorption modulators. Our approach centers around material properties revealing obtainable optical absorption leading to effective modal cross-section, and material broadening effects. Taken together both describe the modulator physical behavior entirely. We consider a plurality of material modulation classes to include two-level absorbers such as quantum dots, free carrier accumulation or depletion such as ITO or Silicon, two-dimensional electron gas in semiconductors such as quantum wells, Pauli blocking in Graphene, and excitons in two-dimensional atomic layered materials such as found in transition metal dichalcogendies. Our results show that reducing the modal area generally improves modulator performance defined by the amount of induced electrical charge, and hence the energy-per-bit function, required switching the signal. We find that broadening increases the amount of switching charge needed. While some material classes allow for reduced broadening such as quantum dots and 2-dimensional materials due to their reduced Coulomb screening leading to increased oscillator strengths, the sharpness of broadening is overshadowed by thermal effects independent of the material class. Further we find that plasmonics allows the switching charge and energy-per-bit function to be reduced by about one order of magnitude compared to bulk photonics. This analysis is aimed as a guide for the community to predict anticipated modulator performance based on both existing and emerging materials.

Development and Characterization of a Rate-Dependent Three-Dimensional Macroscopic Plasticity Model Suitable for Use in Composite Impact Problems

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Carney, Kelly S.; DuBois, Paul; Hoffarth, Canio; Rajan, Subramaniam; Blankenhorn, Gunther

2015-01-01

Several key capabilities have been identified by the aerospace community as lacking in the material/models for composite materials currently available within commercial transient dynamic finite element codes such as LS-DYNA. Some of the specific desired features that have been identified include the incorporation of both plasticity and damage within the material model, the capability of using the material model to analyze the response of both three-dimensional solid elements and two dimensional shell elements, and the ability to simulate the response of composites composed with a variety of composite architectures, including laminates, weaves and braids. In addition, a need has been expressed to have a material model that utilizes tabulated experimentally based input to define the evolution of plasticity and damage as opposed to utilizing discrete input parameters (such as modulus and strength) and analytical functions based on curve fitting. To begin to address these needs, an orthotropic macroscopic plasticity based model suitable for implementation within LS-DYNA has been developed. Specifically, the Tsai-Wu composite failure model has been generalized and extended to a strain-hardening based orthotropic plasticity model with a non-associative flow rule. The coefficients in the yield function are determined based on tabulated stress-strain curves in the various normal and shear directions, along with selected off-axis curves. Incorporating rate dependence into the yield function is achieved by using a series of tabluated input curves, each at a different constant strain rate. The non-associative flow-rule is used to compute the evolution of the effective plastic strain. Systematic procedures have been developed to determine the values of the various coefficients in the yield function and the flow rule based on the tabulated input data. An algorithm based on the radial return method has been developed to facilitate the numerical implementation of the material model. The presented paper will present in detail the development of the orthotropic plasticity model and the procedures used to obtain the required material parameters. Methods in which a combination of actual testing and selective numerical testing can be combined to yield the appropriate input data for the model will be described. A specific laminated polymer matrix composite will be examined to demonstrate the application of the model.

Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling: Final Technical Report

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

Maitra, Neepa

2016-07-14

This project investigates the accuracy of currently-used functionals in time-dependent density functional theory, which is today routinely used to predict and design materials and computationally model processes in solar energy conversion. The rigorously-based electron-ion dynamics method developed here sheds light on traditional methods and overcomes challenges those methods have. The fundamental research undertaken here is important for building reliable and practical methods for materials discovery. The ultimate goal is to use these tools for the computational design of new materials for solar cell devices of high efficiency.

Dendronized Metal Nanoparticles-Self-Organizing Building Blocks for the Design of New Functional Materials

DTIC Science & Technology

2016-04-01

characterization has just started.       The hybrids that we have synthesized are based on plasmonic gold and  silver   nanoparticles  (NPs) but  the concept  is...AFRL-AFOSR-UK-TR-2016-0010 Dendronized metal nanoparticles - self-organizing building blocks for the design of new functional materials Bertrand...2015 4. TITLE AND SUBTITLE Dendronized metal nanoparticles - self-organizing building blocks for the design of new functional materials 5a. CONTRACT

PRISM: Processing routines in IDL for spectroscopic measurements (installation manual and user's guide, version 1.0)

USGS Publications Warehouse

Kokaly, Raymond F.

2011-01-01

This report describes procedures for installing and using the U.S. Geological Survey Processing Routines in IDL for Spectroscopic Measurements (PRISM) software. PRISM provides a framework to conduct spectroscopic analysis of measurements made using laboratory, field, airborne, and space-based spectrometers. Using PRISM functions, the user can compare the spectra of materials of unknown composition with reference spectra of known materials. This spectroscopic analysis allows the composition of the material to be identified and characterized. Among its other functions, PRISM contains routines for the storage of spectra in database files, import/export of ENVI spectral libraries, importation of field spectra, correction of spectra to absolute reflectance, arithmetic operations on spectra, interactive continuum removal and comparison of spectral features, correction of imaging spectrometer data to ground-calibrated reflectance, and identification and mapping of materials using spectral feature-based analysis of reflectance data. This report provides step-by-step instructions for installing the PRISM software and running its functions.

Regenerated silk materials for functionalized silk orthopedic devices by mimicking natural processing.

PubMed

Li, Chunmei; Hotz, Blake; Ling, Shengjie; Guo, Jin; Haas, Dylan S; Marelli, Benedetto; Omenetto, Fiorenzo; Lin, Samuel J; Kaplan, David L

2016-12-01

Silk fibers spun by silkworms and spiders exhibit exceptional mechanical properties with a unique combination of strength, extensibility and toughness. In contrast, the mechanical properties of regenerated silk materials can be tuned through control of the fabrication process. Here we introduce a biomimetic, all-aqueous process, to obtain bulk regenerated silk-based materials for the fabrication of functionalized orthopedic devices. The silk materials generated in the process replicate the nano-scale structure of natural silk fibers and possess excellent mechanical properties. The biomimetic materials demonstrate excellent machinability, providing a path towards the fabrication of a new family of resorbable orthopedic devices where organic solvents are avoided, thus allowing functionalization with bioactive molecules to promote bone remodeling and integration. Copyright © 2016 Elsevier Ltd. All rights reserved.

Gas-Phase Functionalization of Macroscopic Carbon Nanotube Fiber Assemblies: Reaction Control, Electrochemical Properties, and Use for Flexible Supercapacitors.

PubMed

Iglesias, Daniel; Senokos, Evgeny; Alemán, Belén; Cabana, Laura; Navío, Cristina; Marcilla, Rebeca; Prato, Maurizio; Vilatela, Juan J; Marchesan, Silvia

2018-02-14

The assembly of aligned carbon nanotubes (CNTs) into fibers (CNTFs) is a convenient approach to exploit and apply the unique physico-chemical properties of CNTs in many fields. CNT functionalization has been extensively used for its implementation into composites and devices. However, CNTF functionalization is still in its infancy because of the challenges associated with preservation of CNTF morphology. Here, we report a thorough study of the gas-phase functionalization of CNTF assemblies using ozone which was generated in situ from a UV source. In contrast with liquid-based oxidation methods, this gas-phase approach preserves CNTF morphology, while notably increasing its hydrophilicity. The functionalized material is thoroughly characterized by Raman spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscopy, and scanning electron microscopy. Its newly acquired hydrophilicity enables CNTF electrochemical characterization in aqueous media, which was not possible for the pristine material. Through comparison of electrochemical measurements in aqueous electrolytes and ionic liquids, we decouple the effects of functionalization on pseudocapacitive reactions and quantum capacitance. The functionalized CNTF assembly is successfully used as an active material and a current collector in all-solid supercapacitor flexible devices with an ionic liquid-based polymer electrolyte.

Graphene-based smart materials

NASA Astrophysics Data System (ADS)

Yu, Xiaowen; Cheng, Huhu; Zhang, Miao; Zhao, Yang; Qu, Liangti; Shi, Gaoquan

2017-09-01

The high specific surface area and the excellent mechanical, electrical, optical and thermal properties of graphene make it an attractive component for high-performance stimuli-responsive or 'smart' materials. Complementary to these inherent properties, functionalization or hybridization can substantially improve the performance of these materials. Typical graphene-based smart materials include mechanically exfoliated perfect graphene, chemical vapour deposited high-quality graphene, chemically modified graphene (for example, graphene oxide and reduced graphene oxide) and their macroscopic assemblies or composites. These materials are sensitive to a range of stimuli, including gas molecules or biomolecules, pH value, mechanical strain, electrical field, and thermal or optical excitation. In this Review, we outline different graphene-based smart materials and their potential applications in actuators, chemical or strain sensors, self-healing materials, photothermal therapy and controlled drug delivery. We also introduce the working mechanisms of graphene-based smart materials and discuss the challenges facing the realization of their practical applications.

NMR studies of polymers from renewable materials

USDA-ARS?s Scientific Manuscript database

There has been a lot of recent interest in using agricultural products as raw materials to produce functional polymers. The motivation is to add value to agricultural products and to decrease the global dependence on petroleum-based feedstock. Moreover, agricultural materials are renewable, biodeg...

Constitutive Models Based on Compressible Plastic Flows

NASA Technical Reports Server (NTRS)

Rajendran, A. M.

1983-01-01

The need for describing materials under time or cycle dependent loading conditions has been emphasized in recent years by several investigators. In response to the need, various constitutive models describing the nonlinear behavior of materials under creep, fatigue, or other complex loading conditions were developed. The developed models for describing the fully dense (non-porous) materials were mostly based on uncoupled plasticity theory. The improved characterization of materials provides a better understanding of the structual response under complex loading conditions. The pesent studies demonstrate that the rate or time dependency of the response of a porous aggregate can be incorporated into the nonlinear constitutive behavior of a porous solid by appropriately modeling the incompressible matrix behavior. It is also sown that the yield function which wads determined by a continuum mechanics approach must be verified by appropriate experiments on void containing sintered materials in order to obtain meaningful numbers for the constants that appear in the yield function.

Quantifying confidence in density functional theory predictions of magnetic ground states

NASA Astrophysics Data System (ADS)

Houchins, Gregory; Viswanathan, Venkatasubramanian

2017-10-01

Density functional theory (DFT) simulations, at the generalized gradient approximation (GGA) level, are being routinely used for material discovery based on high-throughput descriptor-based searches. The success of descriptor-based material design relies on eliminating bad candidates and keeping good candidates for further investigation. While DFT has been widely successfully for the former, oftentimes good candidates are lost due to the uncertainty associated with the DFT-predicted material properties. Uncertainty associated with DFT predictions has gained prominence and has led to the development of exchange correlation functionals that have built-in error estimation capability. In this work, we demonstrate the use of built-in error estimation capabilities within the BEEF-vdW exchange correlation functional for quantifying the uncertainty associated with the magnetic ground state of solids. We demonstrate this approach by calculating the uncertainty estimate for the energy difference between the different magnetic states of solids and compare them against a range of GGA exchange correlation functionals as is done in many first-principles calculations of materials. We show that this estimate reasonably bounds the range of values obtained with the different GGA functionals. The estimate is determined as a postprocessing step and thus provides a computationally robust and systematic approach to estimating uncertainty associated with predictions of magnetic ground states. We define a confidence value (c-value) that incorporates all calculated magnetic states in order to quantify the concurrence of the prediction at the GGA level and argue that predictions of magnetic ground states from GGA level DFT is incomplete without an accompanying c-value. We demonstrate the utility of this method using a case study of Li-ion and Na-ion cathode materials and the c-value metric correctly identifies that GGA-level DFT will have low predictability for NaFePO4F . Further, there needs to be a systematic test of a collection of plausible magnetic states, especially in identifying antiferromagnetic (AFM) ground states. We believe that our approach of estimating uncertainty can be readily incorporated into all high-throughput computational material discovery efforts and this will lead to a dramatic increase in the likelihood of finding good candidate materials.

Carbon-based nanomaterials: multifunctional materials for biomedical engineering.

PubMed

Cha, Chaenyung; Shin, Su Ryon; Annabi, Nasim; Dokmeci, Mehmet R; Khademhosseini, Ali

2013-04-23

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), and 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.

Two-Dimensional Materials for Halide Perovskite-Based Optoelectronic Devices.

PubMed

Chen, Shan; Shi, Gaoquan

2017-06-01

Halide perovskites have high light absorption coefficients, long charge carrier diffusion lengths, intense photoluminescence, and slow rates of non-radiative charge recombination. Thus, they are attractive photoactive materials for developing high-performance optoelectronic devices. These devices are also cheap and easy to be fabricated. To realize the optimal performances of halide perovskite-based optoelectronic devices (HPODs), perovskite photoactive layers should work effectively with other functional materials such as electrodes, interfacial layers and encapsulating films. Conventional two-dimensional (2D) materials are promising candidates for this purpose because of their unique structures and/or interesting optoelectronic properties. Here, we comprehensively summarize the recent advancements in the applications of conventional 2D materials for halide perovskite-based photodetectors, solar cells and light-emitting diodes. The examples of these 2D materials are graphene and its derivatives, mono- and few-layer transition metal dichalcogenides (TMDs), graphdiyne and metal nanosheets, etc. The research related to 2D nanostructured perovskites and 2D Ruddlesden-Popper perovskites as efficient and stable photoactive layers is also outlined. The syntheses, functions and working mechanisms of relevant 2D materials are introduced, and the challenges to achieving practical applications of HPODs using 2D materials are also discussed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Copper phthalocyanine-based CMPs with various internal structures and functionalities.

PubMed

Ding, Xuesong; Han, Bao-Hang

2015-08-18

Several kinds of copper phthalocyanine-based conjugated microporous polymers have been synthesized, which present enhanced long-wavelength photon absorption capability and high efficiency for singlet oxygen generation under low energy light irradiation. This strategy opens a facile avenue towards expanding the scope of phthalocyanine-based porous materials with various internal structures and functionalities.

Dual-functional biomimetic materials: nonfouling poly(carboxybetaine) with active functional groups for protein immobilization.

PubMed

Zhang, Zheng; Chen, Shengfu; Jiang, Shaoyi

2006-12-01

We introduce a dual-functional biocompatible material based on zwitterionic poly(carboxybetaine methacrylate) (polyCBMA), which not only highly resists protein adsorption/cell adhesion, but also has abundant functional groups convenient for the immobilization of biological ligands, such as proteins. The dual-functional properties are unique to carboxybetaine moieties and are not found in other nonfouling moieties such as ethylene glycol, phosphobetaine, and sulfobetaine. The unique properties are demonstrated in this work by grafting a polyCBMA polymer onto a surface or by preparing a polyCBMA-based hydrogel. PolyCBMA brushes with a thickness of 10-15 nm were grafted on a gold surface using the surface-initiated atom transfer radical polymerization method. Protein adsorption was analyzed using a surface plasmon resonance sensor. The surface grafted with polyCBMA very largely prevented the nonspecific adsorption of three test proteins, that is, fibrinogen, lysozyme, and human chorionic gonadotropin (hCG). The immobilization of anti-hCG on the surface resulted in the specific binding of hCG while maintaining a high resistance to nonspecific protein adsorption. Transparent polyCBMA-based hydrogel disks were decorated with immobilized fibronectin. Aortic endothelial cells did not bind to the polyCBMA controls, but appeared to adhere well and spread on the fibronectin-modified surface. With their dual functionality and biomimetic nature, polyCBMA-based materials are very promising for their applications in medical diagnostics, biomaterials/tissue engineering, and drug delivery.

Some functional properties of composite material based on scrap tires

NASA Astrophysics Data System (ADS)

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.

Water-Rich Fluid Material Containing Orderly Condensed Proteins.

PubMed

Nojima, Tatsuya; Iyoda, Tomokazu

2017-01-24

A fluid material with high protein content (120-310 mg mL -1 ) was formed through the ordered self-assembly of native proteins segregated from water. This material is instantly prepared by the simple mixing of a protein solution with anionic and cationic surfactants. By changing the ratio of the surfactants based on the electrostatic characteristics of the target protein, we observed that the surfactants could function as a versatile molecular glue for protein assembly. Moreover, these protein assemblies could be disassembled back into an aqueous solution depending on the salt conditions. Owing to the water-retaining properties of the hydrophilic part of surfactants, the proteins in this material are in a water-rich environment, which maintains their native structure and function. The inclusion of water also provides functional extensibility to this material, as demonstrated by the preparation of an enzymatically active gel. We anticipate that the unique features of this material will permit the use of proteins not only in solution but also as elements of integrated functionalized materials. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Approximation of properties of hyperelastic materials with use of energy-based models and biaxial tension data

NASA Astrophysics Data System (ADS)

Jamróz, Weronika

2016-06-01

The paper shows the way enrgy-based models aproximate mechanical properties of hiperelastic materials. Main goal of research was to create a method of finding a set of material constants that are included in a strain energy function that constitutes a heart of an energy-based model. The most optimal set of material constants determines the best adjustment of a theoretical stress-strain relation to the experimental one. This kind of adjustment enables better prediction of behaviour of a chosen material. In order to obtain more precised solution the approximation was made with use of data obtained in a modern experiment widely describen in [1]. To save computation time main algorithm is based on genetic algorithms.

Focused-electron-beam-induced processing (FEBIP) for emerging applications in carbon nanoelectronics

NASA Astrophysics Data System (ADS)

Fedorov, Andrei G.; Kim, Songkil; Henry, Mathias; Kulkarni, Dhaval; Tsukruk, Vladimir V.

2014-12-01

Focused-electron-beam-induced processing (FEBIP), a resist-free additive nanomanufacturing technique, is an actively researched method for "direct-write" processing of a wide range of structural and functional nanomaterials, with high degree of spatial and time-domain control. This article attempts to critically assess the FEBIP capabilities and unique value proposition in the context of processing of electronics materials, with a particular emphasis on emerging carbon (i.e., based on graphene and carbon nanotubes) devices and interconnect structures. One of the major hurdles in advancing the carbon-based electronic materials and device fabrication is a disjoint nature of various processing steps involved in making a functional device from the precursor graphene/CNT materials. Not only this multi-step sequence severely limits the throughput and increases the cost, but also dramatically reduces the processing reproducibility and negatively impacts the quality because of possible between-the-step contamination, especially for impurity-susceptible materials such as graphene. The FEBIP provides a unique opportunity to address many challenges of carbon nanoelectronics, especially when it is employed as part of an integrated processing environment based on multiple "beams" of energetic particles, including electrons, photons, and molecules. This avenue is promising from the applications' prospective, as such a multi-functional (electron/photon/molecule beam) enables one to define shapes (patterning), form structures (deposition/etching), and modify (cleaning/doping/annealing) properties with locally resolved control on nanoscale using the same tool without ever changing the processing environment. It thus will have a direct positive impact on enhancing functionality, improving quality and reducing fabrication costs for electronic devices, based on both conventional CMOS and emerging carbon (CNT/graphene) materials.

Functionalized Poly(3,4-ethylenedioxy bithiophene) Films for Tuning Electrochromic and Thermoelectric Properties.

PubMed

Hu, Yongjing; Liu, Xiaofang; Jiang, Fengxing; Zhou, Weiqiang; Liu, Congcong; Duan, Xuemin; Xu, Jingkun

2017-10-05

Conductive thiophene-based polymers have garnered great attention for use in organic electron materials such as electrochromic and thermoelectric materials. However, they suffer from poor electron transport properties and long-term stability, leading to limited development eventually. Here, we proposed a strategy of functionalized thiophene-based polymers with oligo(ethylene glycol) or alkyl side chains and synthesized a series of poly(3,4-ethylenedioxy bithiophene)s (PEDTs) to tune their electrochromic and thermoelectric properties. An alkyl group bearing electronic ability at the thiophene ring effectively achieved a large increase in the electrical conductivity with nearly invariable Seebeck coefficient, resulting in an enhancement by 1 order of magnitude for the thermoelectric power factor. Moreover, the electrochromic properties of functionalized PEDTs gained an effective improvement in the optical contrast and coloration efficiency as well as stability with multicolor changes between neutral and oxidized states. The functionalized PEDTs can be proposed as an alternative strategy to tune the electrochromic and thermoelectric properties for organic polymer materials.

Inductive learning of thyroid functional states using the ID3 algorithm. The effect of poor examples on the learning result.

PubMed

Forsström, J

1992-01-01

The ID3 algorithm for inductive learning was tested using preclassified material for patients suspected to have a thyroid illness. Classification followed a rule-based expert system for the diagnosis of thyroid function. Thus, the knowledge to be learned was limited to the rules existing in the knowledge base of that expert system. The learning capability of the ID3 algorithm was tested with an unselected learning material (with some inherent missing data) and with a selected learning material (no missing data). The selected learning material was a subgroup which formed a part of the unselected learning material. When the number of learning cases was increased, the accuracy of the program improved. When the learning material was large enough, an increase in the learning material did not improve the results further. A better learning result was achieved with the selected learning material not including missing data as compared to unselected learning material. With this material we demonstrate a weakness in the ID3 algorithm: it can not find available information from good example cases if we add poor examples to the data.

Materials by Design—A Perspective From Atoms to Structures

PubMed Central

Buehler, Markus J.

2013-01-01

Biological materials are effectively synthesized, controlled, and used for a variety of purposes—in spite of limitations in energy, quality, and quantity of their building blocks. Whereas the chemical composition of materials in the living world plays a some role in achieving functional properties, the way components are connected at different length scales defines what material properties can be achieved, how they can be altered to meet functional requirements, and how they fail in disease states and other extreme conditions. Recent work has demonstrated this by using large-scale computer simulations to predict materials properties from fundamental molecular principles, combined with experimental work and new mathematical techniques to categorize complex structure-property relationships into a systematic framework. Enabled by such categorization, we discuss opportunities based on the exploitation of concepts from distinct hierarchical systems that share common principles in how function is created, linking music to materials science. PMID:24163499

Nanoarchitectonics from Molecular Units to Living-Creature-Like Motifs.

PubMed

Ariga, Katsuhiko; Mori, Taizo; Shrestha, Lok Kumar

2017-12-04

Important points for the fabrication of functional materials are the creation of nanoscale/molecular-scale units and architecting them into functional materials and systems. Recently, a new conceptual paradigm, nanoarchitectonics, has been proposed to combine nanotechnology and other methodologies including supramolecular chemistry, self-assembly and self-organization to satisfy major features of nanoscience and promote the creation of functional materials and systems. In this account article, our recent research results in materials development based on the nanoarchitectonics concept are summarized in two stories, (i) nanoarchitectonics from fullerenes as the simplest nano-units and (ii) dimension-dependent nanoarchitectonics from various structural units. The former demonstrates creativity of the nanoarchitectonics concept only with simple construction stuffs on materials fabrications, and a wide range of material applicability for the nanoarchitectonics strategy is realized in the latter ones. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

NASA Astrophysics Data System (ADS)

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.

Covalent Crosslinking of Carbon Nanotube Materials for Improved Tensile Strength

NASA Technical Reports Server (NTRS)

Baker, James S.; Miller, Sandi G.; Williams, Tiffany A.; Meador, Michael A.

2013-01-01

Carbon nanotubes have attracted much interest in recent years due to their exceptional mechanical properties. Currently, the tensile properties of bulk carbon nanotube-based materials (yarns, sheets, etc.) fall far short of those of the individual nanotube elements. The premature failure in these materials under tensile load has been attributed to inter-tube sliding, which requires far less force than that needed to fracture individual nanotubes.1,2 In order for nanotube materials to achieve their full potential, methods are needed to restrict this tube-tube shear and increase inter-tube forces.Our group is examining covalent crosslinking between the nanotubes as a means to increase the tensile properties of carbon nanotube materials. We are working with multi-walled carbon nanotube (MWCNT) sheet and yarn materials obtained from commercial sources. Several routes to functionalize the nanotubes have been examined including nitrene, aryl diazonium, and epoxide chemistries. The functional nanotubes were crosslinked through small molecule or polymeric bridges. Additionally, electron beam irradiation induced crosslinking of the non-functional and functional nanotube materials was conducted. For example, a nanotube sheet material containing approximately 3.5 mol amine functional groups exhibited a tensile strength of 75 MPa and a tensile modulus of 1.16 GPa, compared to 49 MPa and 0.57 GPa, respectively, for the as-received material. Electron beam irradiation (2.2x 1017 ecm2) of the same amine-functional sheet material further increased the tensile strength to 120 MPa and the modulus to 2.61 GPa. This represents approximately a 150 increase in tensile strength and a 360 increase in tensile modulus over the as-received material with only a 25 increase in material mass. Once we have optimized the nanotube crosslinking methods, the performance of these materials in polymer matrix composites will be evaluated.

The journey from forensic to predictive materials science using density functional theory

DOE PAGES

Schultz, Peter A.

2017-09-12

Approximate methods for electronic structure, implemented in sophisticated computer codes and married to ever-more powerful computing platforms, have become invaluable in chemistry and materials science. The maturing and consolidation of quantum chemistry codes since the 1980s, based upon explicitly correlated electronic wave functions, has made them a staple of modern molecular chemistry. Here, the impact of first principles electronic structure in physics and materials science had lagged owing to the extra formal and computational demands of bulk calculations.

The journey from forensic to predictive materials science using density functional theory

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

Schultz, Peter A.

Approximate methods for electronic structure, implemented in sophisticated computer codes and married to ever-more powerful computing platforms, have become invaluable in chemistry and materials science. The maturing and consolidation of quantum chemistry codes since the 1980s, based upon explicitly correlated electronic wave functions, has made them a staple of modern molecular chemistry. Here, the impact of first principles electronic structure in physics and materials science had lagged owing to the extra formal and computational demands of bulk calculations.

Nanostructures and functional materials fabricated by interferometric lithography.

PubMed

Xia, Deying; Ku, Zahyun; Lee, S C; Brueck, S R J

2011-01-11

Interferometric lithography (IL) is a powerful technique for the definition of large-area, nanometer-scale, periodically patterned structures. Patterns are recorded in a light-sensitive medium, such as a photoresist, that responds nonlinearly to the intensity distribution associated with the interference of two or more coherent beams of light. The photoresist patterns produced with IL are a platform for further fabrication of nanostructures and growth of functional materials and are building blocks for devices. This article provides a brief review of IL technologies and focuses on various applications for nanostructures and functional materials based on IL including directed self-assembly of colloidal nanoparticles, nanophotonics, semiconductor materials growth, and nanofluidic devices. Perspectives on future directions for IL and emerging applications in other fields are presented.

Electronic fitness function for screening semiconductors as thermoelectric materials

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

Xing, Guangzong; Sun, Jifeng; Li, Yuwei

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. Themore » 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.« less

Electronic fitness function for screening semiconductors as thermoelectric materials

DOE PAGES

Xing, Guangzong; Sun, Jifeng; Li, Yuwei; ...

2017-11-17

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. Themore » 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.« less

Computational design of surfaces, nanostructures and optoelectronic materials

NASA Astrophysics Data System (ADS)

Choudhary, Kamal

Properties of engineering materials are generally influenced by defects such as point defects (vacancies, interstitials, substitutional defects), line defects (dislocations), planar defects (grain boundaries, free surfaces/nanostructures, interfaces, stacking faults) and volume defects (voids). Classical physics based molecular dynamics and quantum physics based density functional theory can be useful in designing materials with controlled defect properties. In this thesis, empirical potential based molecular dynamics was used to study the surface modification of polymers due to energetic polyatomic ion, thermodynamics and mechanics of metal-ceramic interfaces and nanostructures, while density functional theory was used to screen substituents in optoelectronic materials. Firstly, polyatomic ion-beams were deposited on polymer surfaces and the resulting chemical modifications of the surface were examined. In particular, S, SC and SH were deposited on amorphous polystyrene (PS), and C2H, CH3, and C3H5 were deposited on amorphous poly (methyl methacrylate) (PMMA) using molecular dynamics simulations with classical reactive empirical many-body (REBO) potentials. The objective of this work was to elucidate the mechanisms by which the polymer surface modification took place. The results of the work could be used in tailoring the incident energy and/or constituents of ion beam for obtaining a particular chemistry inside the polymer surface. Secondly, a new Al-O-N empirical potential was developed within the charge optimized many body (COMB) formalism. This potential was then used to examine the thermodynamic stability of interfaces and mechanical properties of nanostructures composed of aluminum, its oxide and its nitride. The potentials were tested for these materials based on surface energies, defect energies, bulk phase stability, the mechanical properties of the most stable bulk phase, its phonon properties as well as with a genetic algorithm based evolution theory of the materials to ensure that no spurious phases had a lower cohesive energy. Thirdly, lanthanide doped and co-doped Y3Al5O 12 were examined using density functional theory (DFT) with semi-local and local functional. Theoretical results were compared and validated with experimental data and new co-doped materials with high efficiency were predicted. Finally, Transition element doped CH3NH3PbI3 were studied with DFT for validation of the model with experimental data and replacement materials for toxic Pb were predicted.

Polymer-Attached Functional Inorganic-Organic Hybrid Nano-Composite Aerogels

DTIC Science & Technology

2003-01-01

drugs. The chemistry to synthesize polyamino- siloxane based aerogel composite was discussed. In addition, two approaches to synthesize PHEMA aerogel... Composite Aerogels DISTRIBUTION: Approved for public release, distribution unlimited This paper is part of the following report: TITLE: Materials...Proc. Vol. 740 © 2003 Materials Research Society 112.24 Polymer-Attached Functional Inorganic-Organic Hybrid Nano- composite Aerogels Xipeng Liu, Mingzhe

A numerical multi-scale model to predict macroscopic material anisotropy of multi-phase steels from crystal plasticity material definitions

NASA Astrophysics Data System (ADS)

Ravi, Sathish Kumar; Gawad, Jerzy; Seefeldt, Marc; Van Bael, Albert; Roose, Dirk

2017-10-01

A numerical multi-scale model is being developed to predict the anisotropic macroscopic material response of multi-phase steel. The embedded microstructure is given by a meso-scale Representative Volume Element (RVE), which holds the most relevant features like phase distribution, grain orientation, morphology etc., in sufficient detail to describe the multi-phase behavior of the material. A Finite Element (FE) mesh of the RVE is constructed using statistical information from individual phases such as grain size distribution and ODF. The material response of the RVE is obtained for selected loading/deformation modes through numerical FE simulations in Abaqus. For the elasto-plastic response of the individual grains, single crystal plasticity based plastic potential functions are proposed as Abaqus material definitions. The plastic potential functions are derived using the Facet method for individual phases in the microstructure at the level of single grains. The proposed method is a new modeling framework and the results presented in terms of macroscopic flow curves are based on the building blocks of the approach, while the model would eventually facilitate the construction of an anisotropic yield locus of the underlying multi-phase microstructure derived from a crystal plasticity based framework.

The metallurgy of high temperature alloys

NASA Technical Reports Server (NTRS)

Tien, J. K.; Purushothaman, S.

1976-01-01

Nickel-base, cobalt-base, and high nickel and chromium iron-base alloys are dissected, and their microstructural and chemical components are assessed with respect to the various functions expected of high temperature structural materials. These functions include the maintenance of mechanical integrity over the strain-rate spectrum from creep resistance through fatigue crack growth resistance, and such alloy stability expectations as microstructural coarsening resistance, phase instability resistance and oxidation and corrosion resistance. Special attention will be given to the perennial conflict and trade-off between strength, ductility and corrosion and oxidation resistance. The newest developments in the constitution of high temperature alloys will also be discussed, including aspects relating to materials conservation.

The evolution of cyclopropenium ions into functional polyelectrolytes

PubMed Central

Jiang, Yivan; Freyer, Jessica L.; Cotanda, Pepa; Brucks, Spencer D.; Killops, Kato L.; Bandar, Jeffrey S.; Torsitano, Christopher; Balsara, Nitash P.; Lambert, Tristan H.; Campos, Luis M.

2015-01-01

Versatile polyelectrolytes with tunable physical properties have the potential to be transformative in applications such as energy storage, fuel cells and various electronic devices. Among the types of materials available for these applications, nanostructured cationic block copolyelectrolytes offer mechanical integrity and well-defined conducting paths for ionic transport. To date, most cationic polyelectrolytes bear charge formally localized on heteroatoms and lack broad modularity to tune their physical properties. To overcome these challenges, we describe herein the development of a new class of functional polyelectrolytes based on the aromatic cyclopropenium ion. We demonstrate the facile synthesis of a series of polymers and nanoparticles based on monomeric cyclopropenium building blocks incorporating various functional groups that affect physical properties. The materials exhibit high ionic conductivity and thermal stability due to the nature of the cationic moieties, thus rendering this class of new materials as an attractive alternative to develop ion-conducting membranes. PMID:25575214

The evolution of cyclopropenium ions into functional polyelectrolytes

DOE PAGES

Jiang, Yivan; Freyer, Jessica L.; Cotanda, Pepa; ...

2015-01-09

We report that versatile polyelectrolytes with tunable physical properties have the potential to be transformative in applications such as energy storage, fuel cells and various electronic devices. Among the types of materials available for these applications, nanostructured cationic block copolyelectrolytes offer mechanical integrity and well-defined conducting paths for ionic transport. To date, most cationic polyelectrolytes bear charge formally localized on heteroatoms and lack broad modularity to tune their physical properties. To overcome these challenges, we describe herein the development of a new class of functional polyelectrolytes based on the aromatic cyclopropenium ion.We demonstrate the facile synthesis of a series ofmore » polymers and nanoparticles based on monomeric cyclopropenium building blocks incorporating various functional groups that affect physical properties. In conclusion, the materials exhibit high ionic conductivity and thermal stability due to the nature of the cationic moieties, thus rendering this class of new materials as an attractive alternative to develop ion-conducting membranes.« less

Microwave-assisted preparation of carbon nanofiber-functionalized graphite felts as electrodes for polymer-based redox-flow batteries

NASA Astrophysics Data System (ADS)

Schwenke, A. M.; Janoschka, T.; Stolze, C.; Martin, N.; Hoeppener, S.; Schubert, U. S.

2016-12-01

A simple and fast microwave-assisted protocol to functionalize commercially available graphite felts (GFs) with carbon nanofibers (CNFs) for the application as electrode materials in redox-flow batteries (RFB) is demonstrated. As catalyst for the CNF synthesis nickel acetate is applied and ethanol serves as the carbon source. By the in-situ growth of CNFs, the active surface of the electrodes is increased by a factor of 50, which is determined by the electrochemical double layer capacities of the obtained materials. Furthermore, the morphology of the CNF-coating is investigated by scanning electron microscopy. Subsequently, the functionalized electrodes are applied in a polymer-based redox-flow battery (pRFB) using a TEMPO- and a viologen polymer as active materials. Due to the increased surface area as compared to an untreated graphite felt electrode, the current rating is improved by about 45% at 80 mA cm-2 and, furthermore, a decrease in overpotentials is observed. Thus, using this microwave-assisted synthesis approach, CNF-functionalized composite electrodes are prepared with a very simple protocol suitable for real life applications and an improvement of the overall performance of the polymer-based redox-flow battery is demonstrated.

Luminescent Porous Polymers Based on Aggregation-Induced Mechanism: Design, Synthesis and Functions.

PubMed

Dalapati, Sasanka; Gu, Cheng; Jiang, Donglin

2016-12-01

Enormous research efforts are focusing on the design and synthesis of advanced luminescent systems, owing to their diverse capability in scientific studies and technological developments. In particular, fluorescence systems based on aggregation-induced emission (AIE) have emerged to show great potential for sensing, bio-imaging, and optoelectronic applications. Among them, integrating AIE mechanisms to design porous polymers is unique because it enables the combination of porosity and luminescence activity in one molecular skeleton for functional design. In recent years rapid progress in exploring AIE-based porous polymers has developed a new class of luminescent materials that exhibit broad structural diversity, outstanding properties and functions and promising applications. By classifying the structural nature of the skeleton, herein the design principle, synthetic development and structural features of different porous luminescent materials are elucidated, including crystalline covalent organic frameworks (COFs), metal-organic frameworks (MOFs), and amorphous porous organic polymers (POPs). The functional exploration of these luminescent porous polymers are highlighted by emphasizing electronic interplay within the confined nanospace, fundamental issues to be addressed are disclosed, and future directions from chemistry, physics and materials science perspectives are proposed. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Advances in Materials for Recent Low-Profile Implantable Bioelectronics.

PubMed

Chen, Yanfei; Kim, Yun-Soung; Tillman, Bryan W; Yeo, Woon-Hong; Chun, Youngjae

2018-03-29

The rapid development of micro/nanofabrication technologies to engineer a variety of materials has enabled new types of bioelectronics for health monitoring and disease diagnostics. In this review, we summarize widely used electronic materials in recent low-profile implantable systems, including traditional metals and semiconductors, soft polymers, biodegradable metals, and organic materials. Silicon-based compounds have represented the traditional materials in medical devices, due to the fully established fabrication processes. Examples include miniaturized sensors for monitoring intraocular pressure and blood pressure, which are designed in an ultra-thin diaphragm to react with the applied pressure. These sensors are integrated into rigid circuits and multiple modules; this brings challenges regarding the fundamental material's property mismatch with the targeted human tissues, which are intrinsically soft. Therefore, many polymeric materials have been investigated for hybrid integration with well-characterized functional materials such as silicon membranes and metal interconnects, which enable soft implantable bioelectronics. The most recent trend in implantable systems uses transient materials that naturally dissolve in body fluid after a programmed lifetime. Such biodegradable metallic materials are advantageous in the design of electronics due to their proven electrical properties. Collectively, this review delivers the development history of materials in implantable devices, while introducing new bioelectronics based on bioresorbable materials with multiple functionalities.

New nanocomposite surfaces and thermal interface materials based on mesoscopic microspheres, polymers and graphene flakes

NASA Astrophysics Data System (ADS)

Dmitriev, Alex A.; Dmitriev, Alex S.; Makarov, Petr; Mikhailova, Inna

2018-04-01

In recent years, there has been a great interest in the development and creation of new functional energy mate-rials, including for improving the energy efficiency of power equipment and for effectively removing heat from energy devices, microelectronics and optoelectronics (power micro electronics, supercapacitors, cooling of processors, servers and data centers). In this paper, the technology of obtaining new nanocomposites based on mesoscopic microspheres, polymers and graphene flakes is considered. The methods of sequential production of functional materials from graphene flakes of different volumetric concentration using epoxy polymers, as well as the addition of monodisperse microspheres are described. Data are given on the measurement of the contact angle and thermal conductivity of these nanocomposites with respect to the creation of thermal interface materials for cooling devices of electronics, optoelectronics and power engineering.

Ion Exchange Formation via Sulfonated Bicomponent Nonwovens

NASA Astrophysics Data System (ADS)

Stoughton, Hannah L.

For many years ion exchange resins were used to: remove heavy metals from water, recover materials from wastewater, and eliminate harmful gases from the air. While use of these resin beads dominates the ion exchange industry, the beads have limitations that should be considered when decisions are made to employ them. For instance, officials must balance the inherent zero sum surface area and porosity of the materials. This series of studies investigates the use of bicomponent nonwovens as a base substrate for producing high surface area ion exchange materials for the removal of heavy metal ions. Functionalized materials were produced in a two-step process: (1) PET/PE spunbond bicomponent fibers were fractured completely, producing the high surface area nonwoven to be used as the base ion exchange material, and (2) the conditions for functionalizing the PET fibers of the nonwoven webs were investigated where an epoxy containing monomer was grafted to the surface followed by sulfonation of the monomer. The functionalization reactions of the PET fibers were monitored based on: weight gain, FTIR, TOF-SIMS, and SEM. Ion exchange properties were evaluated using titration and copper ion removal capacity from test solutions. The relationship between web structure and removal efficiency of the metal ions was defined through a comparison of the bicomponent and homocomponent nonwovens for copper ion removal efficiency. The investigation revealed that utilizing the high surface area, fractured bicomponent nonwoven ion exchange materials with capacities comparable to commercially available ion exchange resins could be produced.

Carbon-based layer-by-layer nanostructures: from films to hollow capsules

NASA Astrophysics Data System (ADS)

Hong, Jinkee; Han, Jung Yeon; Yoon, Hyunsik; Joo, Piljae; Lee, Taemin; Seo, Eunyong; Char, Kookheon; Kim, Byeong-Su

2011-11-01

Over the past years, the layer-by-layer (LbL) assembly has been widely developed as one of the most powerful techniques to prepare multifunctional films with desired functions, structures and morphologies because of its versatility in the process steps in both material and substrate choices. Among various functional nanoscale objects, carbon-based nanomaterials, such as carbon nanotubes and graphene sheets, are promising candidates for emerging science and technology with their unique physical, chemical, and mechanical properties. In particular, carbon-based functional multilayer coatings based on the LbL assembly are currently being actively pursued as conducting electrodes, batteries, solar cells, supercapacitors, fuel cells and sensor applications. In this article, we give an overview on the use of carbon materials in nanostructured films and capsules prepared by the LbL assembly with the aim of unraveling the unique features and their applications of carbon multilayers prepared by the LbL assembly.

Phthalo-carbonitride: an ab initio prediction of a stable two-dimensional material

NASA Astrophysics Data System (ADS)

Tsetseris, Leonidas

2016-06-01

Using density-functional theory calculations, we identify a stable two-dimensional carbonitride polymorph which resembles the core of phthalocyanine molecules. This so-called phthalo-carbonitride is found to be the lowest-energy polymer made of tetracyanoethylene molecules. It is a two-dimensional metal in its pristine form. Functionalization of the phthalo-cores with copper or iron atoms retains the metallic character of the material, but also adds magnetization to the system. Based on these properties and the established use of phthalocyanine molecules in various applications, the growth of phthalo-carbonitride sheets can add another multi-functional building block to the research and technology of two-dimensional materials.

Recent developments of nano-structured materials as the catalysts for oxygen reduction reaction

NASA Astrophysics Data System (ADS)

Kang, SungYeon; Kim, HuiJung; Chung, Yong-Ho

2018-04-01

Developments of high efficient materials for electrocatalyst are significant topics of numerous researches since a few decades. Recent global interests related with energy conversion and storage lead to the expansion of efforts to find cost-effective catalysts that can substitute conventional catalytic materials. Especially, in the field of fuel cell, novel materials for oxygen reduction reaction (ORR) have been noticed to overcome disadvantages of conventional platinum-based catalysts. Various approaching methods have been attempted to achieve low cost and high electrochemical activity comparable with Pt-based catalysts, including reducing Pt consumption by the formation of hybrid materials, Pt-based alloys, and not-Pt metal or carbon based materials. To enhance catalytic performance and stability, numerous methods such as structural modifications and complex formations with other functional materials are proposed, and they are basically based on well-defined and well-ordered catalytic active sites by exquisite control at nanoscale. In this review, we highlight the development of nano-structured catalytic materials for ORR based on recent findings, and discuss about an outlook for the direction of future researches.

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

PubMed

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

2015-01-28

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

Silica Materials for Medical Applications

PubMed Central

Vallet-Regí, María; Balas, Francisco

2008-01-01

The two main applications of silica-based materials in medicine and biotechnology, i.e. for bone-repairing devices and for drug delivery systems, are presented and discussed. The influence of the structure and chemical composition in the final characteristics and properties of every silica-based material is also shown as a function of the both applications presented. The adequate combination of the synthesis techniques, template systems and additives leads to the development of materials that merge the bioactive behavior with the drug carrier ability. These systems could be excellent candidates as materials for the development of devices for tissue engineering. PMID:19662110

Variation of yield loci in finite element analysis by considering texture evolution for AA5042 aluminum sheets

NASA Astrophysics Data System (ADS)

Yoon, Jonghun; Kim, Kyungjin; Yoon, Jeong Whan

2013-12-01

Yield function has various material parameters that describe how materials respond plastically in given conditions. However, a significant number of mechanical tests are required to identify the many material parameters for yield function. In this study, an effective method using crystal plasticity through a virtual experiment is introduced to develop the anisotropic yield function for AA5042. The crystal plasticity approach was used to predict the anisotropic response of the material in order to consider a number of stress or strain modes that would not otherwise be evident through mechanical testing. A rate-independent crystal plasticity model based on a smooth single crystal yield surface, which removes the innate ambiguity problem within the rate-independent model and Taylor model for polycrystalline deformation behavior were employed to predict the material's response in the balanced biaxial stress, pure shear, and plane strain states to identify the parameters for the anisotropic yield function of AA5042.

Organic/hybrid thin films deposited by matrix-assisted pulsed laser evaporation (MAPLE)

NASA Astrophysics Data System (ADS)

Stiff-Roberts, Adrienne D.; Ge, Wangyao

2017-12-01

Some of the most exciting materials research in the 21st century attempts to resolve the challenge of simulating, synthesizing, and characterizing new materials with unique properties designed from first principles. Achievements in such development for organic and organic-inorganic hybrid materials make them important options for electronic and/or photonic devices because they can impart multi-functionality, flexibility, transparency, and sustainability to emerging systems, such as wearable electronics. Functional organic materials include small molecules, oligomers, and polymers, while hybrid materials include inorganic nanomaterials (such as zero-dimensional quantum dots, one-dimensional carbon nanotubes, or two-dimensional nanosheets) combined with organic matrices. A critically important step to implementing new electronic and photonic devices using such materials is the processing of thin films. While solution-based processing is the most common laboratory technique for organic and hybrid materials, vacuum-based deposition has been critical to the commercialization of organic light emitting diodes based on small molecules, for example. Therefore, it is desirable to explore vacuum-based deposition of organic and hybrid materials that include larger macromolecules, such as polymers. This review article motivates the need for physical vapor deposition of polymeric and hybrid thin films using matrix-assisted pulsed laser evaporation (MAPLE), which is a type of pulsed laser deposition. This review describes the development of variations in the MAPLE technique, discusses the current understanding of laser-target interactions and growth mechanisms for different MAPLE variations, surveys demonstrations of MAPLE-deposited organic and hybrid materials for electronic and photonic devices, and provides a future outlook for the technique.

Advances in Materials for Recent Low-Profile Implantable Bioelectronics

PubMed Central

Kim, Yun-Soung; Tillman, Bryan W.; Chun, Youngjae

2018-01-01

The rapid development of micro/nanofabrication technologies to engineer a variety of materials has enabled new types of bioelectronics for health monitoring and disease diagnostics. In this review, we summarize widely used electronic materials in recent low-profile implantable systems, including traditional metals and semiconductors, soft polymers, biodegradable metals, and organic materials. Silicon-based compounds have represented the traditional materials in medical devices, due to the fully established fabrication processes. Examples include miniaturized sensors for monitoring intraocular pressure and blood pressure, which are designed in an ultra-thin diaphragm to react with the applied pressure. These sensors are integrated into rigid circuits and multiple modules; this brings challenges regarding the fundamental material’s property mismatch with the targeted human tissues, which are intrinsically soft. Therefore, many polymeric materials have been investigated for hybrid integration with well-characterized functional materials such as silicon membranes and metal interconnects, which enable soft implantable bioelectronics. The most recent trend in implantable systems uses transient materials that naturally dissolve in body fluid after a programmed lifetime. Such biodegradable metallic materials are advantageous in the design of electronics due to their proven electrical properties. Collectively, this review delivers the development history of materials in implantable devices, while introducing new bioelectronics based on bioresorbable materials with multiple functionalities. PMID:29596359

Aeroelastic Tailoring of a Plate Wing with Functionally Graded Materials

NASA Technical Reports Server (NTRS)

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.

Programmable biofilm-based materials from engineered curli nanofibres.

PubMed

Nguyen, Peter Q; Botyanszki, Zsofia; Tay, Pei Kun R; Joshi, Neel S

2014-09-17

The significant role of biofilms in pathogenicity has spurred research into preventing their formation and promoting their disruption, resulting in overlooked opportunities to develop biofilms as a synthetic biological platform for self-assembling functional materials. Here we present Biofilm-Integrated Nanofiber Display (BIND) as a strategy for the molecular programming of the bacterial extracellular matrix material by genetically appending peptide domains to the amyloid protein CsgA, the dominant proteinaceous component in Escherichia coli biofilms. These engineered CsgA fusion proteins are successfully secreted and extracellularly self-assemble into amyloid nanofibre networks that retain the functions of the displayed peptide domains. We show the use of BIND to confer diverse artificial functions to the biofilm matrix, such as nanoparticle biotemplating, substrate adhesion, covalent immobilization of proteins or a combination thereof. BIND is a versatile nanobiotechnological platform for developing robust materials with programmable functions, demonstrating the potential of utilizing biofilms as large-scale designable biomaterials.

High-pressure torsion for new hydrogen storage materials.

PubMed

Edalati, Kaveh; Akiba, Etsuo; Horita, Zenji

2018-01-01

High-pressure torsion (HPT) is widely used as a severe plastic deformation technique to create ultrafine-grained structures with promising mechanical and functional properties. Since 2007, the method has been employed to enhance the hydrogenation kinetics in different Mg-based hydrogen storage materials. Recent studies showed that the method is effective not only for increasing the hydrogenation kinetics but also for improving the hydrogenation activity, for enhancing the air resistivity and more importantly for synthesizing new nanostructured hydrogen storage materials with high densities of lattice defects. This manuscript reviews some major findings on the impact of HPT process on the hydrogen storage performance of different titanium-based and magnesium-based materials.

Liquid carbon dioxide absorbents, methods of using the same, and related system

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

Perry, Robert James; Soloveichik, Grigorii Lev; Rubinsztajn, Malgorzata Iwona

A carbon dioxide absorbent composition is described, including (i) a liquid, nonaqueous silicon-based material, functionalized with one or more groups that either reversibly react with CO 2 or have a high-affinity for CO 2, and (ii) a hydroxy-containing solvent that is capable of dissolving both the silicon-based material and a reaction product of the silicon-based material and CO 2. The absorbent may be utilized in methods to reduce carbon dioxide in an exhaust gas, and finds particular utility in power plants.

Liquid carbon dioxide absorbents, methods of using the same, and related systems

DOEpatents

O'Brien, Michael Joseph; Perry, Robert James; Lam, Tunchiao Hubert; Soloveichik, Grigorii Lev; Kniajanski, Sergei; Lewis, Larry Neil; Rubinsztajn, Malgorzata Iwona; Hancu, Dan

2016-09-13

A carbon dioxide absorbent composition is described, including (i) a liquid, nonaqueous silicon-based material, functionalized with one or more groups that either reversibly react with CO.sub.2 or have a high-affinity for CO.sub.2; and (ii) a hydroxy-containing solvent that is capable of dissolving both the silicon-based material and a reaction product of the silicon-based material and CO.sub.2. The absorbent may be utilized in methods to reduce carbon dioxide in an exhaust gas, and finds particular utility in power plants.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

The effects of crushing speed on the energy-absorption capability of composite material

NASA Technical Reports Server (NTRS)

Farley, Gary L.

1987-01-01

The energy-absorption capability as a function of crushing speed was determined for Thornel 300/Fiberite 934 (Gr/E) and Kevlar-49/Fiberite 934 (K/E) composite material. Circular cross section tube specimens were crushed at quasi-static, 6 m/sec, and 12 m/sec speeds. Ply orientations of the tube specimens were (0/+ or - theta) sub 2 and (+ or - theta) sub 3 where theta=15, 45, and 75 degress. Based on the results of these tests the energy-absortion capability of Gr/E and K/E was determined to be a function of crushing speed. The crushing modes based on exterior appearance of the crushed tubes were unchanged for either material. However, the interlaminar crushing behavior changed with crushing speed.

An overview on cellulose-based material in tailoring bio-hybrid nanostructured photocatalysts for water treatment and renewable energy applications.

PubMed

Mohamed, Mohamad Azuwa; Abd Mutalib, Muhazri; Mohd Hir, Zul Adlan; M Zain, M F; Mohamad, Abu Bakar; Jeffery Minggu, Lorna; Awang, Nor Asikin; W Salleh, W N

2017-10-01

A combination between the nanostructured photocatalyst and cellulose-based materials promotes a new functionality of cellulose towards the development of new bio-hybrid materials for various applications especially in water treatment and renewable energy. The excellent compatibility and association between nanostructured photocatalyst and cellulose-based materials was induced by bio-combability and high hydrophilicity of the cellulose components. The electron rich hydroxyl group of celluloses helps to promote superior interaction with photocatalyst. The formation of bio-hybrid nanostructured are attaining huge interest nowadays due to the synergistic properties of individual cellulose-based material and photocatalyst nanoparticles. Therefore, in this review we introduce some cellulose-based material and discusses its compatibility with nanostructured photocatalyst in terms of physical and chemical properties. In addition, we gather information and evidence on the fabrication techniques of cellulose-based hybrid nanostructured photocatalyst and its recent application in the field of water treatment and renewable energy. Copyright © 2017 Elsevier B.V. All rights reserved.

Non-uniformly functionalized titanium carbide-based MXenes as an anchoring material for Li-S batteries: A first-principles calculation

NASA Astrophysics Data System (ADS)

Sim, Eun Seob; Chung, Yong-Chae

2018-03-01

In this study, the influence of the non-uniform surface of F- and O-functionalized Ti2C on the anchoring behavior of lithium polysulfide (LiPS) is investigated using density functional theory. In order to consider the non-uniform surface, the substitutional, vacancy, and S-trapped sites of F- and O-functionalized Ti2C are designed. The anchoring behavior is investigated considering the adsorption energy of LiPS, reactivity between Li atoms and the substrate, and the reduction state of the S atoms. On the F-substitutional site of the O-functionalized surface, it is confirmed that the suppressing mechanism changes from the neutralization of S atoms to the anchoring of LiPS. However, too strong of an interaction between Ti atoms exposed at the vacancy site and S atoms induces trapping of the S atom at the vacancies of both F- and O-functionalized surfaces. As a result of the trapping of the S atom, the use of active material decreases. In addition, the S-trapped site originated from the vacancy site does not affect the suppressing mechanism. In conclusion, to optimize the Ti2C-based MXene as an anchoring material for Li-S batteries, the preparation process should be focused on eliminating the vacancy of functional groups.

Overview on the Surface Functionalization Mechanism and Determination of Surface Functional Groups of Plasma Treated Carbon Nanotubes.

PubMed

Saka, Cafer

2018-01-02

The use of carbon materials for many applications is due to the unique diversity of structures and properties ranging from chemical bonds between the carbon atoms of the materials to nanostructures, crystallite alignment, and microstructures. Carbon nanotubes and other nanoscale carbonaceous materials draw much attention due to their physical and chemical properties, such as high strength, high resistance to corrosion, electrical and thermal conductivity, stability and a qualified adsorbent. Carbon-based nanomaterials, which have a relatively large specific area and layered structure, can be used as an adsorbent for efficient removal of organic and inorganic contaminants. However, one of the biggest obstacles to the development of carbon-based nanomaterials adsorbents is insolubility and the lack of functional groups on the surface. There are several approaches to introduce functional groups on carbon nanotubes. One of these approaches, plasma applications, now has an important place in the creation of surface functional groups as a flexible, fast, and environmentally friendly method. This review focuses on recent information concerning the surface functionalization and modification of plasma treated carbon nanotube. This review considers the surface properties, advantages, and disadvantages of plasma-applied carbon nanotubes. It also examines the reaction mechanisms involved in the functional groups on the surface.

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

PubMed

Hesemann, Peter; Nguyen, Thy Phung; Hankari, Samir El

2014-04-11

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

An analysis of the drying process in forest fuel material

Treesearch

G.M. Byram; R.M. Nelson

2015-01-01

It is assumed that the flow of moisture in forest fuels and other woody materials is determined by the gradient of a quantity g which is a function of some property, or properties, of the moisture content. There appears to be no preferred choice for this function, hence moisture transfer equations can be based on a number of equally valid definitions of g. The physical...

Methods for removing contaminant matter from a porous material

DOEpatents

Fox, Robert V [Idaho Falls, ID; Avci, Recep [Bozeman, MT; Groenewold, Gary S [Idaho Falls, ID

2010-11-16

Methods of removing contaminant matter from porous materials include applying a polymer material to a contaminated surface, irradiating the contaminated surface to cause redistribution of contaminant matter, and removing at least a portion of the polymer material from the surface. Systems for decontaminating a contaminated structure comprising porous material include a radiation device configured to emit electromagnetic radiation toward a surface of a structure, and at least one spray device configured to apply a capture material onto the surface of the structure. Polymer materials that can be used in such methods and systems include polyphosphazine-based polymer materials having polyphosphazine backbone segments and side chain groups that include selected functional groups. The selected functional groups may include iminos, oximes, carboxylates, sulfonates, .beta.-diketones, phosphine sulfides, phosphates, phosphites, phosphonates, phosphinates, phosphine oxides, monothio phosphinic acids, and dithio phosphinic acids.

Systems and strippable coatings for decontaminating structures that include porous material

DOEpatents

Fox, Robert V [Idaho Falls, ID; Avci, Recep [Bozeman, MT; Groenewold, Gary S [Idaho Falls, ID

2011-12-06

Methods of removing contaminant matter from porous materials include applying a polymer material to a contaminated surface, irradiating the contaminated surface to cause redistribution of contaminant matter, and removing at least a portion of the polymer material from the surface. Systems for decontaminating a contaminated structure comprising porous material include a radiation device configured to emit electromagnetic radiation toward a surface of a structure, and at least one spray device configured to apply a capture material onto the surface of the structure. Polymer materials that can be used in such methods and systems include polyphosphazine-based polymer materials having polyphosphazine backbone segments and side chain groups that include selected functional groups. The selected functional groups may include iminos, oximes, carboxylates, sulfonates, .beta.-diketones, phosphine sulfides, phosphates, phosphites, phosphonates, phosphinates, phosphine oxides, monothio phosphinic acids, and dithio phosphinic acids.

Hydrogel-based encapsulation of biological, functional tissue: fundamentals, technologies and applications

NASA Astrophysics Data System (ADS)

Zimmermann, H.; Ehrhart, F.; Zimmermann, D.; Müller, K.; Katsen-Globa, A.; Behringer, M.; Feilen, P. J.; Gessner, P.; Zimmermann, G.; Shirley, S. G.; Weber, M. M.; Metze, J.; Zimmermann, U.

2007-12-01

Replacing dysfunctional endocrine cells or tissues (e.g. islets, parathyroid tissue) by functional, foreign material without using immunosuppressives could soon become reality. Immunological reactions are avoided by encapsulating cells/tissues in hydrogel (e.g. alginate) microcapsules, preventing interaction of the enclosed material with the host’s immune system while permitting the unhindered passage of nutrients, oxygen and secreted therapeutic factors. Detailed investigations of the physical, physico-chemical and immunological parameters of alginate-based microcapsules have led recently to the development of a novel class of cell-entrapping microcapsules that meet the demands of biocompatibility, long-term integrity and function. This together with the development of ‘good medical practice’ microfluidic chip technology and of advanced cryopreservation technology for generation and storage of immunoisolated transplants will bring cell-based therapy to clinics and the market.

Greenhouse gas emissions from the treatment of household plastic containers and packaging: replacement with biomass-based materials.

PubMed

Yano, Junya; Hirai, Yasuhiro; Sakai, Shin-ichi; Tsubota, Jun

2014-04-01

The purpose of this study was to quantify the life-cycle greenhouse gas (GHG) emissions reduction that could be achieved by replacement of fossil-derived materials with biodegradable, biomass-based materials for household plastic containers and packaging, considering a variety of their treatment options. The biomass-based materials were 100% polylactide or a combination of polybutylene succinate adipate and polylactide. A scenario analysis was conducted considering alternative recycling methods. Five scenarios were considered: two for existing fossil-derived materials (the current approach in Japan) and the three for biomass-based materials. Production and waste disposal of 1 m(3) of plastic containers and packaging from households was defined as the functional unit. The results showed that replacement of fossil-derived materials with biomass-based materials could reduce life-cycle GHG emissions by 14-20%. Source separation and recycling should be promoted. When the separate collection ratio reached 100%, replacement with biomass-based materials could potentially reduce GHG emissions by 31.9%. Food containers are a priority for replacement, because they alone could reduce GHG emissions by 10%. A recycling system for biomass-based plastics must be carefully designed, considering aspects such as the transition period from fossil-derived plastics to biomass-based plastics.

A viscoelastic model for dielectric elastomers based on a continuum mechanical formulation and its finite element implementation

NASA Astrophysics Data System (ADS)

Bueschel, A.; Klinkel, S.; Wagner, W.

2011-04-01

Smart materials are active and multifunctional materials, which play an important part for sensor and actuator applications. These materials have the potential to transform passive structures into adaptive systems. However, a prerequisite for the design and the optimization of these materials is, that reliable models exist, which incorporate the interaction between the different combinations of thermal, electrical, magnetic, optical and mechanical effects. Polymeric electroelastic materials, so-called electroactive polymer (EAP), own the characteristic to deform if an electric field is applied. EAP's possesses the benefit that they share the characteristic of polymers, these are lightweight, inexpensive, fracture tolerant, elastic, and the chemical and physical structure is well understood. However, the description "electroactive polymer" is a generic term for many kinds of different microscopic mechanisms and polymeric materials. Based on the laws of electromagnetism and elasticity, a visco-electroelastic model is developed and implemented into the finite element method (FEM). The presented three-dimensional solid element has eight nodes and trilinear interpolation functions for the displacement and the electric potential. The continuum mechanics model contains finite deformations, the time dependency and the nearly incompressible behavior of the material. To describe the possible, large time dependent deformations, a finite viscoelastic model with a split of the deformation gradient is used. Thereby the time dependent characteristic of polymeric materials is incorporated through the free energy function. The electromechanical interactions are considered by the electrostatic forces and inside the energy function.

Structure and characteristics of functional powder composite materials obtained by spark plasma sintering

NASA Astrophysics Data System (ADS)

Oglezneva, S. A.; Kachenyuk, M. N.; Kulmeteva, V. B.; Ogleznev, N. B.

2017-07-01

The article describes the results of spark plasma sintering of ceramic materials based on titanium carbide, titanium carbosilicide, ceramic composite materials based on zirconium oxide, strengthened by carbon nanostructures and composite materials of electrotechnical purpose based on copper with addition of carbon structures and titanium carbosilicide. The research shows that the spark plasma sintering can achieve relative density of the material up to 98%. The effect of sintering temperature on the phase composition, density and porosity of the final product has been studied. It was found that with addition of carbon nanostructures the relative density and hardness decrease, but the fracture strength of ZrO2 increases up to times 2. The relative erosion resistance of the electrodes made of composite copper-based powder materials, obtained by spark plasma sintering during electroerosion treatment of tool steel exceeds that parameter of pure copper up to times 15.

Additive manufacturing of biologically-inspired materials.

PubMed

Studart, André R

2016-01-21

Additive manufacturing (AM) technologies offer an attractive pathway towards the fabrication of functional materials featuring complex heterogeneous architectures inspired by biological systems. In this paper, recent research on the use of AM approaches to program the local chemical composition, structure and properties of biologically-inspired materials is reviewed. A variety of structural motifs found in biological composites have been successfully emulated in synthetic systems using inkjet-based, direct-writing, stereolithography and slip casting technologies. The replication in synthetic systems of design principles underlying such structural motifs has enabled the fabrication of lightweight cellular materials, strong and tough composites, soft robots and autonomously shaping structures with unprecedented properties and functionalities. Pushing the current limits of AM technologies in future research should bring us closer to the manufacturing capabilities of living organisms, opening the way for the digital fabrication of advanced materials with superior performance, lower environmental impact and new functionalities.

Designing protein-based biomaterials for medical applications.

PubMed

Gagner, Jennifer E; Kim, Wookhyun; Chaikof, Elliot L

2014-04-01

Biomaterials produced by nature have been honed through billions of years, evolving exquisitely precise structure-function relationships that scientists strive to emulate. Advances in genetic engineering have facilitated extensive investigations to determine how changes in even a single peptide within a protein sequence can produce biomaterials with unique thermal, mechanical and biological properties. Elastin, a naturally occurring protein polymer, serves as a model protein to determine the relationship between specific structural elements and desirable material characteristics. The modular, repetitive nature of the protein facilitates the formation of well-defined secondary structures with the ability to self-assemble into complex three-dimensional architectures on a variety of length scales. Furthermore, many opportunities exist to incorporate other protein-based motifs and inorganic materials into recombinant protein-based materials, extending the range and usefulness of these materials in potential biomedical applications. Elastin-like polypeptides (ELPs) can be assembled into 3-D architectures with precise control over payload encapsulation, mechanical and thermal properties, as well as unique functionalization opportunities through both genetic and enzymatic means. An overview of current protein-based materials, their properties and uses in biomedicine will be provided, with a focus on the advantages of ELPs. Applications of these biomaterials as imaging and therapeutic delivery agents will be discussed. Finally, broader implications and future directions of these materials as diagnostic and therapeutic systems will be explored. Copyright © 2013 Elsevier Ltd. All rights reserved.

Designing Protein-Based Biomaterials for Medical Applications

PubMed Central

Gagner, Jennifer E.; Kim, Wookhyun; Chaikof, Elliot L.

2013-01-01

Biomaterials produced by nature have been honed through billions of years, evolving exquisitely precise structure-function relationships that scientists strive to emulate. Advances in genetic engineering have facilitated extensive investigations to determine how changes in even a single peptide within a protein sequence can produce biomaterials with unique thermal, mechanical and biological properties. Elastin, a naturally occurring protein polymer, serves as a model protein to determine the relationship between specific structural elements and desirable material characteristics. The modular, repetitive nature of the protein facilitates the formation of well-defined secondary structures with the ability to self-assemble into complex three-dimensional architectures on a variety of length scales. Furthermore, many opportunities exist to incorporate other protein-based motifs and inorganic materials into recombinant protein-based materials, extending the range and usefulness of these materials in potential biomedical applications. Elastin-like polypeptides can be assembled into 3D architectures with precise control over payload encapsulation, mechanical and thermal properties, as well as unique functionalization opportunities through both genetic and enzymatic means. An overview of current protein-based materials, their properties and uses in biomedicine will be provided, with a focus on the advantages of elastin-like polypeptides. Applications of these biomaterials as imaging and therapeutic delivery agents will be discussed. Finally, broader implications and future directions of these materials as diagnostic and therapeutic systems will be explored. PMID:24121196

The deterioration of materials as a result of air pollution as derived from satellite and ground based observations

NASA Astrophysics Data System (ADS)

Christodoulakis, John; Varotsos, Costas A.; Cracknell, Arthur P.; Kouremadas, George A.

2018-07-01

Dose Response Functions (DRFs) are widely used in estimating corrosion and/or soiling levels of materials used in building constructions and cultural monuments. These functions quantify the effects of air pollution and environmental parameters on different materials through ground based measurements of specific air pollutants and climatic parameters. Here, we propose a new approach where available satellite observations are used instead of ground-based data. Through this approach, the use of DRFs is expanded to cover situations where there are no in situ measurements, introducing also a totally new field where satellite data can be shown to be very helpful. In the present work satellite observations made by MODIS (MODerate resolution Imaging Spectroradiometer) on board Terra and Aqua, OMI (Ozone Monitoring Instrument) on board Aura and AIRS (Atmospheric Infrared Sounder) on board Aqua have been used.

Programmable and Multifunctional DNA-Based Materials for Biomedical Applications.

PubMed

Zhang, Yuezhou; Tu, Jing; Wang, Dongqing; Zhu, Haitao; Maity, Sajal Kumar; Qu, Xiangmeng; Bogaert, Bram; Pei, Hao; Zhang, Hongbo

2018-06-01

DNA encodes the genetic information; recently, it has also become a key player in material science. Given the specific Watson-Crick base-pairing interactions between only four types of nucleotides, well-designed DNA self-assembly can be programmable and predictable. Stem-loops, sticky ends, Holliday junctions, DNA tiles, and lattices are typical motifs for forming DNA-based structures. The oligonucleotides experience thermal annealing in a near-neutral buffer containing a divalent cation (usually Mg 2+ ) to produce a variety of DNA nanostructures. These structures not only show beautiful landscape, but can also be endowed with multifaceted functionalities. This Review begins with the fundamental characterization and evolutionary trajectory of DNA-based artificial structures, but concentrates on their biomedical applications. The coverage spans from controlled drug delivery to high therapeutic profile and accurate diagnosis. A variety of DNA-based materials, including aptamers, hydrogels, origamis, and tetrahedrons, are widely utilized in different biomedical fields. In addition, to achieve better performance and functionality, material hybridization is widely witnessed, and DNA nanostructure modification is also discussed. Although there are impressive advances and high expectations, the development of DNA-based structures/technologies is still hindered by several commonly recognized challenges, such as nuclease instability, lack of pharmacokinetics data, and relatively high synthesis cost. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Functional energy nanocomposites surfaces based on mesoscopic microspheres, polymers and graphene flakes

NASA Astrophysics Data System (ADS)

Alekseev, S. A.; Dmitriev, A. S.; Dmitriev, A. A.; Makarov, P. G.; Mikhailova, I. A.

2017-11-01

In recent years, there has been a great interest in the development and creation of new functional energy materials, including for improving the energy efficiency of power equipment and for effectively removing heat from energy devices, microelectronics and optoelectronics (power micro electronics, supercapacitors, cooling of processors, servers and Data centers). In this paper, the technology of obtaining a new nanocomposite based on mesoscopic microspheres, polymers and graphene flakes is considered. The methods of sequential production of functional materials from graphite flakes of different volumetric concentration using polymers based on epoxy resins and polyimide, as well as the addition of a mesoscopic medium in the form of monodisperse microspheres are described. The data of optical and electron microscopy of such nanocomposites are presented, the main problems in the appearance of defects in such materials are described, the possibilities of their elimination by the selection of different concentrations and sizes of the components. Data are given on the measurement of the hysteresis of the contact angle and the evaporation of droplets on similar substrates. The results of studying the mechanical, electrophysical and thermal properties of such nanocomposites are presented. Particular attention is paid to the investigation of the thermal conductivity of these nanocomposites with respect to the creation of thermal interface materials for cooling devices of electronics, optoelectronics and power engineering.

Effect of material constants on power output in piezoelectric vibration-based generators.

PubMed

Takeda, Hiroaki; Mihara, Kensuke; Yoshimura, Tomohiro; Hoshina, Takuya; Tsurumi, Takaaki

2011-09-01

A possible power output estimation based on material constants in piezoelectric vibration-based generators is proposed. A modified equivalent circuit model of the generator was built and was validated by the measurement results in the generator fabricated using potassium sodium niobate-based and lead zirconate titanate (PZT) ceramics. Subsequently, generators with the same structure using other PZT-based and bismuth-layered structure ferroelectrics ceramics were fabricated and tested. The power outputs of these generators were expressed as a linear functions of the term composed of electromechanical coupling coefficients k(sys)(2) and mechanical quality factors Q*(m) of the generator. The relationship between device constants (k(sys)(2) and Q*(m)) and material constants (k(31)(2) and Q(m)) was clarified. Estimation of the power output using material constants is demonstrated and the appropriate piezoelectric material for the generator is suggested.

Molecular Design of Benzodithiophene-Based Organic Photovoltaic Materials.

PubMed

Yao, Huifeng; Ye, Long; Zhang, Hao; Li, Sunsun; Zhang, Shaoqing; Hou, Jianhui

2016-06-22

Advances in the design and application of highly efficient conjugated polymers and small molecules over the past years have enabled the rapid progress in the development of organic photovoltaic (OPV) technology as a promising alternative to conventional solar cells. Among the numerous OPV materials, benzodithiophene (BDT)-based polymers and small molecules have come to the fore in achieving outstanding power conversion efficiency (PCE) and breaking 10% efficiency barrier in the single junction OPV devices. Remarkably, the OPV device featured by BDT-based polymer has recently demonstrated an impressive PCE of 11.21%, indicating the great potential of this class of materials in commercial photovoltaic applications. In this review, we offered an overview of the organic photovoltaic materials based on BDT from the aspects of backbones, functional groups, alkyl chains, and device performance, trying to provide a guideline about the structure-performance relationship. We believe more exciting BDT-based photovoltaic materials and devices will be developed in the near future.

Analysis of the degradation of biodegradable mulches in a pepper crop under organic management

NASA Astrophysics Data System (ADS)

Moreno, Carmen; González, Sara; Villena, Jaime; Meco, Ramón; María Moreno, Marta

2016-04-01

The use of biodegradable mulch materials (biopolymers and papers) as an alternative to polyethylene is increasing nowadays, particularly in organic farming, due to environmental factors. It is necessary to test their functionality under field conditions by identifying, for example, the undesirable early degradation which commonly takes place in some of these biodegradable materials. In this sense, it is quite common and easy to apply the use of visual scales to estimate the level of deterioration of mulches, which can be subjective. Therefore, the objectives of this work are: i) To study the degradation of different mulch materials under field conditions by measuring the soil surface they covered. ii) To compare these soil surface values with the overall assessment of their functionality obtained by visual scales. The trial was performed in an organically grown pepper crop in Ciudad Real (Central Spain) in the 2014 spring-summer season. The mulch materials used were: 1) black polyethylene (15 μm); black biopolymers (15 μm): 2) Mater-Bi® (corn starch based), 3) Sphere 4® (potato starch based), 4) Sphere 6® (potato starch based), 5) Bioflex® (polylactic acid based), 6) Ecovio® (polylactic acid based), 7) Mimgreen® (black paper, 85 g/m2). A randomized complete block design with four replications was adopted. The crop was drip irrigated following the water demand of each treatment. To assess the evolution of the soil surface covered by the mulches, a total of 560 photographs of the superficial (exposed) part and 196 photographs of the buried part of the materials (1415x2831 pixels, 28 pixels/cm) were analyzed by using Adobe Photoshop CS at 15, 30, 45, 60, 90,120, 145 days after transplanting. Additionally, four experts evaluated the functionality of these materials based on the photographs according to a scale from 1 (completely deteriorated material) to 9 (intact material). The results show: i) The superficial part corresponding to the polyethylene and the Mimgreen® paper remained practically intact or with little damaged until the end of the crop season, while biopolymers suffered further deterioration, especially Bioflex®. ii) The buried part of the Mimgreen® paper underwent a rapid and complete degradation, while biopolymers presented a variable behavior, from practically intact, similar to polyethylene (Ecovio®), to an important decrease of the soil covered (Mater-Bi® and Sphere 4®). iii) A visual understatement of the functionality of the material (subjective scales) was observed when compared with the numerical value of the percentage of the soil covered by the mulch. Acknowledgements: the research was funded by Project RTA2011-00104-C04-03 from the INIA (Spanish Ministry of Economy and Competitiveness).

Analysis of Metallized Teflon(trademark) Film Materials Performance on Satellites

NASA Technical Reports Server (NTRS)

Pippin, H. Gary; Normand, Eugene; Wolf, Suzanne L. B.; Kamenetzky, Rachel; Kauffman, William J., Jr. (Technical Monitor)

2002-01-01

Laboratory and on-orbit performance data for two common thermal control materials, silver- and aluminum-backed (metallized) fluorinated ethyl-propylene (TER) was collected from a variety of sources and analyzed. This paper demonstrates that the change in solar absorptance, alpha, is a strong function of particulate radiation for these materials. Examination of additional data shows that the atomic oxygen recession rate is a strong function of solar exposure with an induction period of between 25 to 50 equivalent solar hours. The relationships determined in this analysis were incorporated into an electronic knowledge base, the 'Spacecraft Materials Selector,' under NASA contract NAS8-98213.

Implementation of a Tabulated Failure Model Into a Generalized Composite Material Model Suitable for Use in Impact Problems

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Carney, Kelly S.; Dubois, Paul; Hoffarth, Canio; Khaled, Bilal; Shyamsunder, Loukham; Rajan, Subramaniam; Blankenhorn, Gunther

2017-01-01

The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites under impact conditions is becoming critical as these materials are gaining increased use in the aerospace and automotive communities. The aerospace community has identified several key capabilities which are currently lacking in the available material models in commercial transient dynamic finite element codes. To attempt to improve the predictive capability of composite impact simulations, a next generation material model is being developed for incorporation within the commercial transient dynamic finite element code LS-DYNA. The material model, which incorporates plasticity, damage and failure, utilizes experimentally based tabulated input to define the evolution of plasticity and damage and the initiation of failure as opposed to specifying discrete input parameters such as modulus and strength. The plasticity portion of the orthotropic, three-dimensional, macroscopic composite constitutive model is based on an extension of the Tsai-Wu composite failure model into a generalized yield function with a non-associative flow rule. For the damage model, a strain equivalent formulation is used to allow for the uncoupling of the deformation and damage analyses. For the failure model, a tabulated approach is utilized in which a stress or strain based invariant is defined as a function of the location of the current stress state in stress space to define the initiation of failure. Failure surfaces can be defined with any arbitrary shape, unlike traditional failure models where the mathematical functions used to define the failure surface impose a specific shape on the failure surface. In the current paper, the complete development of the failure model is described and the generation of a tabulated failure surface for a representative composite material is discussed.

Nutrient enrichment reduces constraints on material flows in a detritus-based food web

Treesearch

Wyatt F. Cross; Bruce Wallace; Amy D. Rosemond

2007-01-01

Most aquatic and terrestrial ecosystems are experiencing increased nutrient availability, which is affecting their structure and function. By altering community composition and productivity of consumers, enrichment can indirectly cause changes in the pathways and magnitude of material flows in food webs. These changes, in turn, have major consequences for material...

Surface functionalization of two-dimensional metal chalcogenides by Lewis acid-base chemistry

NASA Astrophysics Data System (ADS)

Lei, Sidong; Wang, Xifan; Li, Bo; Kang, Jiahao; He, Yongmin; George, Antony; Ge, Liehui; Gong, Yongji; Dong, Pei; Jin, Zehua; Brunetto, Gustavo; Chen, Weibing; Lin, Zuan-Tao; Baines, Robert; Galvão, Douglas S.; Lou, Jun; Barrera, Enrique; Banerjee, Kaustav; Vajtai, Robert; Ajayan, Pulickel

2016-05-01

Precise control of the electronic surface states of two-dimensional (2D) materials could improve their versatility and widen their applicability in electronics and sensing. To this end, chemical surface functionalization has been used to adjust the electronic properties of 2D materials. So far, however, chemical functionalization has relied on lattice defects and physisorption methods that inevitably modify the topological characteristics of the atomic layers. Here we make use of the lone pair electrons found in most of 2D metal chalcogenides and report a functionalization method via a Lewis acid-base reaction that does not alter the host structure. Atomic layers of n-type InSe react with Ti4+ to form planar p-type [Ti4+n(InSe)] coordination complexes. Using this strategy, we fabricate planar p-n junctions on 2D InSe with improved rectification and photovoltaic properties, without requiring heterostructure growth procedures or device fabrication processes. We also show that this functionalization approach works with other Lewis acids (such as B3+, Al3+ and Sn4+) and can be applied to other 2D materials (for example MoS2, MoSe2). Finally, we show that it is possible to use Lewis acid-base chemistry as a bridge to connect molecules to 2D atomic layers and fabricate a proof-of-principle dye-sensitized photosensing device.

The effects of cross-linked thermo-responsive PNIPAAm-based hydrogel injection on retinal function.

PubMed

Turturro, Sanja B; Guthrie, Micah J; Appel, Alyssa A; Drapala, Pawel W; Brey, Eric M; Pérez-Luna, Victor H; Mieler, William F; Kang-Mieler, Jennifer J

2011-05-01

There is significant interest in biomaterials that provide sustained release of therapeutic molecules to the retina. Poly(N-isopropylacrylamide) (PNIPAAm)-based materials have received significant attention as injectable drug delivery platforms due to PNIPAAm's thermo-responsive properties at approximately 32 °C. While the drug delivery properties of PNIPAAm materials have been studied extensively, there is a need to evaluate the safety effects of hydrogel injection on retinal function. The purpose of this study was to examine the effect of poly(ethylene glycol) diacrylate (PEG-DA) crosslinked PNIPAAm hydrogel injection on retinal function. Utilizing scanning laser ophthalmoscopy (SLO), optical coherent tomography (OCT), and electroretinography (ERG), retinal function was assessed following hydrogel injection. In region near the hydrogel, there was a significant decrease in arterial and venous diameters (∼4%) and an increase in venous blood velocity (∼8%) 1 week post-injection. Retinal thickness decreased (∼6%) at 1 week and the maximum a- and b-wave amplitudes of ERG decreased (∼15%). All data returned to baseline values after week 1. These data suggest that the injection of PEG-DA crosslinked PNIPAAm hydrogel results in a small transient effect on retinal function without any long-term effects. These results further support the potential of PNIPAAm-based materials as an ocular drug delivery platform. Copyright © 2011 Elsevier Ltd. All rights reserved.

Special Features of Using Secondary Materials in the Interior Design of Public Dining Establishments

NASA Astrophysics Data System (ADS)

Kuznetsova, Irina; Hapchuk, Olena; Lukinov, Vitaly

2017-10-01

This article analyses the latest publications studying the use and practical application of secondary resources as raw materials in design. This analysis is based on the list of secondary resources and their applications in interior decoration. In particular, the interiors of public catering enterprises were analysed. Restaurants with different functional purposes that were classified into several categories with specific peculiarities of interior design were identified. This article presents and describes different types of public catering enterprises based on those categories. The interior design of a public catering enterprise is regarded as a considerably complex system. Different types of secondary materials were reviewed to identify the most frequently used materials for interior space design. This article describes the main peculiarities of the use of secondary materials and presents examples of their practical application. The function of secondary materials in the interior design of public catering enterprises were detected and reviewed. On the basis of the analysis, several directions for the practical application of our results in the field of public catering enterprise design were suggested.

Functionalization of 3D scaffolds with protein-releasing biomaterials for intracellular delivery.

PubMed

Seras-Franzoso, Joaquin; Steurer, Christoph; Roldán, Mònica; Vendrell, Meritxell; Vidaurre-Agut, Carla; Tarruella, Anna; Saldaña, Laura; Vilaboa, Nuria; Parera, Marc; Elizondo, Elisa; Ratera, Imma; Ventosa, Nora; Veciana, Jaume; Campillo-Fernández, Alberto J; García-Fruitós, Elena; Vázquez, Esther; Villaverde, Antonio

2013-10-10

Appropriate combinations of mechanical and biological stimuli are required to promote proper colonization of substrate materials in regenerative medicine. In this context, 3D scaffolds formed by compatible and biodegradable materials are under continuous development in an attempt to mimic the extracellular environment of mammalian cells. We have here explored how novel 3D porous scaffolds constructed by polylactic acid, polycaprolactone or chitosan can be decorated with bacterial inclusion bodies, submicron protein particles formed by releasable functional proteins. A simple dipping-based decoration method tested here specifically favors the penetration of the functional particles deeper than 300μm from the materials' surface. The functionalized surfaces support the intracellular delivery of biologically active proteins to up to more than 80% of the colonizing cells, a process that is slightly influenced by the chemical nature of the scaffold. The combination of 3D soft scaffolds and protein-based sustained release systems (Bioscaffolds) offers promise in the fabrication of bio-inspired hybrid matrices for multifactorial control of cell proliferation in tissue engineering under complex architectonic setting-ups. © 2013.

Controlled Fabrication of Functional Capsules Based on the Synergistic Interaction between Polyphenols and MOFs under Weak Basic Condition.

PubMed

Wang, Hui; Zhu, Wei; Ping, Yuan; Wang, Chen; Gao, Ning; Yin, Xianpeng; Gu, Chen; Ding, Dan; Brinker, C Jeffrey; Li, Guangtao

2017-04-26

Metal-organic coordination materials with controllable nanostructures are of widespread interest due to the coupled benefits of inorganic/organic building blocks and desired architectures. In this work, based on the finding of a synergistic interaction between metal-organic frameworks (MOFs) and natural polyphenols under weak basic condition, a facile strategy has been developed for directly fabricating diverse phenolic-inspired functional materials or metal-phenolic frameworks (MPFs) with controlled hollow nanostructures (polyhedral core-shell, rattle-like, hollow cage, etc.) and controllable size, morphology, and roughness, as well as composition. By further incorporating the diverse functionalities of polyphenols such as low toxicity and therapeutic properties, catalytic activity, and ability to serve as carbon precursors, into the novel assemblies, diverse artificially designed nanoarchitectures with target functionalities have been generated for an array of applications.

Thermal and Optical Modulation of the Carrier Mobility in OTFTs Based on an Azo-anthracene Liquid Crystal Organic Semiconductor.

PubMed

Chen, Yantong; Li, Chao; Xu, Xiuru; Liu, Ming; He, Yaowu; Murtaza, Imran; Zhang, Dongwei; Yao, Chao; Wang, Yongfeng; Meng, Hong

2017-03-01

One of the most striking features of organic semiconductors compared with their corresponding inorganic counterparts is their molecular diversity. The major challenge in organic semiconductor material technology is creating molecular structural motifs to develop multifunctional materials in order to achieve the desired functionalities yet to optimize the specific device performance. Azo-compounds, because of their special photoresponsive property, have attracted extensive interest in photonic and optoelectronic applications; if incorporated wisely in the organic semiconductor groups, they can be innovatively utilized in advanced smart electronic applications, where thermal and photo modulation is applied to tune the electronic properties. On the basis of this aspiration, a novel azo-functionalized liquid crystal semiconductor material, (E)-1-(4-(anthracen-2-yl)phenyl)-2-(4-(decyloxy)phenyl)diazene (APDPD), is designed and synthesized for application in organic thin-film transistors (OTFTs). The UV-vis spectra of APDPD exhibit reversible photoisomerizaton upon photoexcitation, and the thin films of APDPD show a long-range orientational order based on its liquid crystal phase. The performance of OTFTs based on this material as well as the effects of thermal treatment and UV-irradiation on mobility are investigated. The molecular structure, stability of the material, and morphology of the thin films are characterized by thermal gravimetric analysis (TGA), polarizing optical microscopy (POM), (differential scanning calorimetry (DSC), UV-vis spectroscopy, atomic force microscopy (AFM), and scanning tunneling microscopy (STM). This study reveals that our new material has the potential to be applied in optical sensors, memories, logic circuits, and functional switches.

Combinatorial and high-throughput screening of materials libraries: review of state of the art.

PubMed

Potyrailo, Radislav; Rajan, Krishna; Stoewe, Klaus; Takeuchi, Ichiro; Chisholm, Bret; Lam, Hubert

2011-11-14

Rational materials design based on prior knowledge is attractive because it promises to avoid time-consuming synthesis and testing of numerous materials candidates. However with the increase of complexity of materials, the scientific ability for the rational materials design becomes progressively limited. As a result of this complexity, combinatorial and high-throughput (CHT) experimentation in materials science has been recognized as a new scientific approach to generate new knowledge. This review demonstrates the broad applicability of CHT experimentation technologies in discovery and optimization of new materials. We discuss general principles of CHT materials screening, followed by the detailed discussion of high-throughput materials characterization approaches, advances in data analysis/mining, and new materials developments facilitated by CHT experimentation. We critically analyze results of materials development in the areas most impacted by the CHT approaches, such as catalysis, electronic and functional materials, polymer-based industrial coatings, sensing materials, and biomaterials.

The Process of Nanostructuring of Metal (Iron) Matrix in Composite Materials for Directional Control of the Mechanical Properties

PubMed Central

Zemtsova, Elena

2014-01-01

We justified theoretical and experimental bases of synthesis of new class of highly nanostructured composite nanomaterials based on metal matrix with titanium carbide nanowires as dispersed phase. A new combined method for obtaining of metal iron-based composite materials comprising the powder metallurgy processes and the surface design of the dispersed phase is considered. The following stages of material synthesis are investigated: (1) preparation of porous metal matrix; (2) surface structuring of the porous metal matrix by TiC nanowires; (3) pressing and sintering to give solid metal composite nanostructured materials based on iron with TiC nanostructures with size 1–50 nm. This material can be represented as the material type “frame in the frame” that represents iron metal frame reinforcing the frame of different chemical compositions based on TiC. Study of material functional properties showed that the mechanical properties of composite materials based on iron with TiC dispersed phase despite the presence of residual porosity are comparable to the properties of the best grades of steel containing expensive dopants and obtained by molding. This will solve the problem of developing a new generation of nanostructured metal (iron-based) materials with improved mechanical properties for the different areas of technology. PMID:24695459

The process of nanostructuring of metal (iron) matrix in composite materials for directional control of the mechanical properties.

PubMed

Zemtsova, Elena; Yurchuk, Denis; Smirnov, Vladimir

2014-01-01

We justified theoretical and experimental bases of synthesis of new class of highly nanostructured composite nanomaterials based on metal matrix with titanium carbide nanowires as dispersed phase. A new combined method for obtaining of metal iron-based composite materials comprising the powder metallurgy processes and the surface design of the dispersed phase is considered. The following stages of material synthesis are investigated: (1) preparation of porous metal matrix; (2) surface structuring of the porous metal matrix by TiC nanowires; (3) pressing and sintering to give solid metal composite nanostructured materials based on iron with TiC nanostructures with size 1-50 nm. This material can be represented as the material type "frame in the frame" that represents iron metal frame reinforcing the frame of different chemical compositions based on TiC. Study of material functional properties showed that the mechanical properties of composite materials based on iron with TiC dispersed phase despite the presence of residual porosity are comparable to the properties of the best grades of steel containing expensive dopants and obtained by molding. This will solve the problem of developing a new generation of nanostructured metal (iron-based) materials with improved mechanical properties for the different areas of technology.

Nanotechnology-based restorative materials for dental caries management

PubMed Central

Melo, Mary A.S.; Guedes, Sarah F.F.; Xu, Hockin H.K.; Rodrigues, Lidiany K.A.

2013-01-01

Nanotechnology has been applied to dental materials as an innovative concept for the development of materials with better properties and anticaries potential. In this review we discuss the current progress and future applications of functional nanoparticles incorporated in dental restorative materials as useful strategies to dental caries management. We also overview proposed antimicrobial and remineralizing mechanisms. Nanomaterials have great potential to decrease biofilm accumulation, inhibit the demineralization process, to be used for remineralizing tooth structure, and to combat caries-related bacteria. These results are encouraging and open the doors to future clinical studies that will allow the therapeutic value of nanotechnology-based restorative materials to be established. PMID:23810638

3D construction and repair from welding and material science perspectives

NASA Astrophysics Data System (ADS)

Marya, Surendar; Hascoet, Jean-Yves

2016-10-01

Additive manufacturing, based on layer-by-layer deposition of a feedstock material from a 3D data, can be mechanistically associated to welding. With feedstock fusion based processes, both additive manufacturing and welding implement similar heat sources, feedstock materials and translation mechanisms. From material science perspectives, additive manufacturing can take clue from lessons learned by millennium old welding technology to rapidly advance in its quest to generate fit for service metallic parts. This paper illustrates material science highlights extracted from the fabrication of a 316 L air vent and the functional repair of a Monel K500 (UNS N0500) with Inconel 625.

Bioinspired Design: Magnetic Freeze Casting

NASA Astrophysics Data System (ADS)

Porter, Michael Martin

Nature is the ultimate experimental scientist, having billions of years of evolution to design, test, and adapt a variety of multifunctional systems for a plethora of diverse applications. Next-generation materials that draw inspiration from the structure-property-function relationships of natural biological materials have led to many high-performance structural materials with hybrid, hierarchical architectures that fit form to function. In this dissertation, a novel materials processing method, magnetic freeze casting, is introduced to develop porous scaffolds and hybrid composites with micro-architectures that emulate bone, abalone nacre, and other hard biological materials. This method uses ice as a template to form ceramic-based materials with continuously, interconnected microstructures and magnetic fields to control the alignment of these structures in multiple directions. The resulting materials have anisotropic properties with enhanced mechanical performance that have potential applications as bone implants or lightweight structural composites, among others.

Dual-functional composite with anticoagulant and antibacterial properties based on heparinized silk fibroin and chitosan.

PubMed

Wang, Jianglin; Hu, Wei; Liu, Qun; Zhang, Shengmin

2011-07-01

Heparinized biomaterials exhibit great anticoagulant properties. However, they promote proliferation of Staphylococcus aureus (S. aureus) and therefore cause infection within the bloodstream upon implantation in vivo. In the present study, an interesting dual-functional composite with anticoagulant and antibacterial properties based on heparinized silk fibroin and chitosan was synthesized. First, heparin was grafted onto the silk fibroin by covalent immobilization with N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide (EDC) and N-hydroxysuccinimide (NHS). All data gathered from Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and elemental analysis (EA) indicated that the heparin was successfully immobilized onto the silk fibroin. The dual-functional composite of heparinized silk fibroin and chitosan was then fabricated by a blending method. The anticoagulant activity of the heparinized materials was evaluated using the prothrombin time (PT), activated partial thromboplastin time (APTT) and thrombin time (TT). The results showed that both heparinized silk fibroin and the composite material exhibited better hemocompatibility in comparison with single silk fibroin or chitosan. The antibacterial property of the materials was investigated by the pour-plate method. Results further suggested that the composite antibacterial property with respect to S. aureus was significantly enhanced. The dual-functionality of the composite material may supply a potential choice in blood contact devices. Copyright © 2011 Elsevier B.V. All rights reserved.

Claim to FAME

NASA Astrophysics Data System (ADS)

Mata, Alvaro

2018-05-01

Proteins are attractive material building blocks, yet their intrinsic functionality has remained largely untapped. Now, a protein-based material that exhibits controllable self-assembling behaviour has been prepared in a one-pot synthesis by simultaneous use of recombinant expression and post-translational modification.

High-pressure torsion for new hydrogen storage materials

PubMed Central

Edalati, Kaveh; Akiba, Etsuo; Horita, Zenji

2018-01-01

Abstract High-pressure torsion (HPT) is widely used as a severe plastic deformation technique to create ultrafine-grained structures with promising mechanical and functional properties. Since 2007, the method has been employed to enhance the hydrogenation kinetics in different Mg-based hydrogen storage materials. Recent studies showed that the method is effective not only for increasing the hydrogenation kinetics but also for improving the hydrogenation activity, for enhancing the air resistivity and more importantly for synthesizing new nanostructured hydrogen storage materials with high densities of lattice defects. This manuscript reviews some major findings on the impact of HPT process on the hydrogen storage performance of different titanium-based and magnesium-based materials. PMID:29511396

[Upgrading of complete removable prosthetic appliance of stomatological patients by the use of new base materials].

PubMed

Кузь, Виталий С; Дворник, Валентин Н; Тесленко, Александра И; Кузь, Гельфира М; Мартыненко, Игорь Н

2016-01-01

The effectiveness of orthopedic treatment of edentulous patients depends on the properties of the basic materials. The main group of materials for manufacturing of such structures are acrylic plastics of thermal polymerization. However, many years of experience in the use of plastics has revealed a number of shortcomings. One of the main is insufficient functional durability of prostheses, and as a consequence - the fragility of acrylic constructions. At present, more and more dentists use nonacrylic thermoplastics, which can improve the functional quality of full removable dentures, as well as, avoid the above disadvantages of acrylic basic plastic. The work is devoted to the study of comparative clinical effectiveness of dental prosthetic in edentulous patients using a variety of basic materials for the production of removable dentures. In this work we used the following materials - "Ftorax" - acrylic plastic of hot polymerization and «Vertex Thermosense» - nonacrylic thermoplastic plastic. As a result of the performed work it can be concluded that the use of the basic thermoplastic materials, namely «Vertex Thermosense», allows to get more rapid adaptation of the patient to full removable dentures due to better fixation and stabilization. Based on the results of our comparative clinical study it can be recommended using of base material «Vertex Thermosense» in the clinic of prosthetic dentistry in treatment of edentulous patients.

Drug Release Kinetics and Transport Mechanisms of Non-degradable and Degradable Polymeric Delivery Systems

PubMed Central

Fu, Yao; Kao, Weiyuan John

2010-01-01

Importance of the field The advancement in material design and engineering has led to the rapid development of novel materials with increasing complexity and functions. Both non-degradable and degradable polymers have found wide applications in the controlled delivery field. Studies on drug release kinetics provide important information into the function of material systems. To elucidate the detailed transport mechanism and the structure-function relationship of a material system, it is critical to bridge the gap between the macroscopic data and the transport behavior at the molecular level. Areas covered in this review The structure and function information of selected non-degradable and degradable polymers have been collected and summarized from literatures published after 1990s. The release kinetics of selected drug compounds from various material systems will be discussed in case studies. Recent progresses in the mathematical models based on different transport mechanisms will be highlighted. What the reader will gain This article aims to provide an overview of structure-function relationships of selected non-degradable and degradable polymers as drug delivery matrices. Take home message Understanding the structure-function relationship of the material system is key to the successful design of a delivery system for a particular application. Moreover, developing complex polymeric matrices requires more robust mathematical models to elucidate the solute transport mechanisms. PMID:20331353

A brief review of extrusion-based tissue scaffold bio-printing.

PubMed

Ning, Liqun; Chen, Xiongbiao

2017-08-01

Extrusion-based bio-printing has great potential as a technique for manipulating biomaterials and living cells to create three-dimensional (3D) scaffolds for damaged tissue repair and function restoration. Over the last two decades, advances in both engineering techniques and life sciences have evolved extrusion-based bio-printing from a simple technique to one able to create diverse tissue scaffolds from a wide range of biomaterials and cell types. However, the complexities associated with synthesis of materials for bio-printing and manipulation of multiple materials and cells in bio-printing pose many challenges for scaffold fabrication. This paper presents an overview of extrusion-based bio-printing for scaffold fabrication, focusing on the prior-printing considerations (such as scaffold design and materials/cell synthesis), working principles, comparison to other techniques, and to-date achievements. This paper also briefly reviews the recent development of strategies with regard to hydrogel synthesis, multi-materials/cells manipulation, and process-induced cell damage in extrusion-based bio-printing. The key issue and challenges for extrusion-based bio-printing are also identified and discussed along with recommendations for future, aimed at developing novel biomaterials and bio-printing systems, creating patterned vascular networks within scaffolds, and preserving the cell viability and functions in scaffold bio-printing. The address of these challenges will significantly enhance the capability of extrusion-based bio-printing. Copyright © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Sustainable hybrid photocatalysts: titania immobilized on ...

EPA Pesticide Factsheets

This review comprises the preparation, properties and heterogeneous photocatalytic applications of TiO2 immobilized on carbon materials derived from earth-abundant, renewable and biodegradable agricultural residues and sea food waste resources. The overview provides key scientific insights into widely used TiO2 supported on carbonaceous materials emanating from biopolymeric materials such as lignin, cellulose, cellulose acetate, bacterial cellulose, bamboo, wood, starch, chitosan and agricultural residues (biochar, charcoal, activated carbon and their magnetic forms, coal fly ash) or seafood wastes namely eggshell, clamshell and fish scales; materials that serve as a support/template for TiO2. Heightened awareness and future inspirational developments for the valorisation of various forms of carbonaceous functional materials is the main objective. This appraisal abridges various strategies available to upgrade renewable carbon-based feedstock via the generation of sustainable TiO2/carbon functional materials and provides remarks on their future prospects. Hopefully, this will stimulate the development of efficient and novel composite photocatalysts and engender the necessary knowledge base for further advancements in greener photocatalytic technologies. Prepared as a Critical Review for the Royal Society of Chemistry (RSC) journal, Green Chemistry. This review discusses the sustainable use of earth-abundant materials exemplified by Titanium dioxide and carbon.

Identification of material properties of orthotropic composite plate using experimental frequency response function data

NASA Astrophysics Data System (ADS)

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.

Microengineering of soft functional materials by controlling the fiber network formation.

PubMed

Li, Jing-Liang; Liu, Xiang-Yang

2009-11-26

The engineering of soft functional materials based on the construction of three-dimensional interconnecting self-organized nanofiber networks is reported. The system under investigation is an organogel formed by N-lauroyl-L-glutamic acid di-n-butylamide (GP-1) in propylene glycol. The engineering of soft functional materials is implemented by controlling primary nucleation kinetics of GP-1, which can be achieved by both reducing thermodynamic driving force and/or introducing a tiny amount of specific copolymers (i.e., poly(methyl methacrylate comethacrylic acid)). The primary nucleation rate of GP-1 is correlated to the number density of GP-1 spherulites, which determines the overall rheological properties of soft functional materials. The results show that the presence of a tiny amount of the polymer (0.01-0.06%) can effectively inhibit the nucleation of GP-1 spherulites, which leads to the formation of integrated fiber networks. It follows that with the additive approach, the viscoelasticity of the soft functional material is significantly enhanced (i.e., more than 1.5 times at 40 degrees C). A combination of the thermal and additive approach led to an improvement of 3.5 times in the viscosity of the gel.

Spatial-phase-modulation-based study of polyvinyl-alcohol/acrylamide photopolymers in the low spatial frequency range.

PubMed

Gallego, Sergi; Márquez, André; Méndez, David; Marini, Stephan; Beléndez, Augusto; Pascual, Inmaculada

2009-08-01

Photopolymers are appealing materials for the fabrication of diffractive optical elements (DOEs). We evaluate the possibilities of polyvinyl-alcohol/acrylamide-based photopolymers to store diffractive elements with low spatial frequencies. We record gratings with different spatial frequencies in the material and analyze the material behavior measuring the transmitted and the reflected orders as a function of exposition. We study two different compositions for the photopolymer, with and without a cross-linker. The values of diffraction efficiency achieved for both compositions make the material suitable to record DOEs with long spatial periods. Assuming a Fermi-Dirac-function-based profile, we fitted the diffracted intensities (up to the eighth order) to obtain the phase profile of the recorded gratings. This analysis shows that it is possible to achieve a phase shift larger than 2pi rad with steep edges in the periodic phase profile. In the case of the measurements in reflection, we have obtained information dealing with the surface profile, which show that it has a smooth shape with an extremely large phase-modulation depth.

Higher-Order Theory for Functionally Graded Materials

NASA Technical Reports Server (NTRS)

Aboudi, J.; Pindera, M. J.; Arnold, Steven M.

2001-01-01

Functionally graded materials (FGM's) are a new generation of engineered materials wherein the microstructural details are spatially varied through nonuniform distribution of the reinforcement phase(s). Engineers accomplish this by using reinforcements with different properties, sizes, and shapes, as well as by interchanging the roles of the reinforcement and matrix phases in a continuous manner (ref. 1). The result is a microstructure that produces continuously or discretely changing thermal and mechanical properties at the macroscopic or continuum scale. This new concept of engineering the material's microstructure marks the beginning of a revolution both in the materials science and mechanics of materials areas since it allows one, for the first time, to fully integrate the material and structural considerations into the final design of structural components. Functionally graded materials are ideal candidates for applications involving severe thermal gradients, ranging from thermal structures in advanced aircraft and aerospace engines to computer circuit boards. Owing to the many variables that control the design of functionally graded microstructures, full exploitation of the FGM's potential requires the development of appropriate modeling strategies for their response to combined thermomechanical loads. Previously, most computational strategies for the response of FGM's did not explicitly couple the material's heterogeneous microstructure with the structural global analysis. Rather, local effective or macroscopic properties at a given point within the FGM were first obtained through homogenization based on a chosen micromechanics scheme and then subsequently used in a global thermomechanical analysis.

SBA-15 Mesoporous Silica as Catalytic Support for Hydrodesulfurization Catalysts—Review

PubMed Central

Huirache-Acuña, Rafael; Nava, Rufino; Peza-Ledesma, Carmen L.; Lara-Romero, Javier; Alonso-Núñez, Gabriel; Pawelec, Barbara; Rivera-Muñoz, Eric M.

2013-01-01

SBA-15 is an interesting mesoporous silica material having highly ordered nanopores and a large surface area, which is widely employed as catalyst supports, absorbents, drug delivery materials, etc. Since it has a lack of functionality, heteroatoms and organic functional groups have been incorporated by direct or post-synthesis methods in order to modify their functionality. The aim of this article is to review the state-of-the-art related to the use of SBA-15-based mesoporous systems as supports for hydrodesulfurization (HDS) catalysts. PMID:28788323

Surface regulated arsenenes as Dirac materials: From density functional calculations

NASA Astrophysics Data System (ADS)

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

2017-02-01

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.

Graphene-Based Materials for Biosensors: A Review

PubMed Central

Suvarnaphaet, Phitsini; Pechprasarn, Suejit

2017-01-01

The advantages conferred by the physical, optical and electrochemical properties of graphene-based nanomaterials have contributed to the current variety of ultrasensitive and selective biosensor devices. In this review, we present the points of view on the intrinsic properties of graphene and its surface engineering concerned with the transduction mechanisms in biosensing applications. We explain practical synthesis techniques along with prospective properties of the graphene-based materials, which include the pristine graphene and functionalized graphene (i.e., graphene oxide (GO), reduced graphene oxide (RGO) and graphene quantum dot (GQD). The biosensing mechanisms based on the utilization of the charge interactions with biomolecules and/or nanoparticle interactions and sensing platforms are also discussed, and the importance of surface functionalization in recent up-to-date biosensors for biological and medical applications. PMID:28934118

Engineering responsive supramolecular biomaterials: Toward smart therapeutics.

PubMed

Webber, Matthew J

2016-09-01

Engineering materials using supramolecular principles enables generalizable and modular platforms that have tunable chemical, mechanical, and biological properties. Applying this bottom-up, molecular engineering-based approach to therapeutic design affords unmatched control of emergent properties and functionalities. In preparing responsive materials for biomedical applications, the dynamic character of typical supramolecular interactions facilitates systems that can more rapidly sense and respond to specific stimuli through a fundamental change in material properties or characteristics, as compared to cases where covalent bonds must be overcome. Several supramolecular motifs have been evaluated toward the preparation of "smart" materials capable of sensing and responding to stimuli. Triggers of interest in designing materials for therapeutic use include applied external fields, environmental changes, biological actuators, applied mechanical loading, and modulation of relative binding affinities. In addition, multistimuli-responsive routes can be realized that capture combinations of triggers for increased functionality. In sum, supramolecular engineering offers a highly functional strategy to prepare responsive materials. Future development and refinement of these approaches will improve precision in material formation and responsiveness, seek dynamic reciprocity in interactions with living biological systems, and improve spatiotemporal sensing of disease for better therapeutic deployment.

Silica functionalized Cu(II) acetylacetonate Schiff base complex: An efficient catalyst for the oxidative condensation reaction of benzyl alcohol with amines

NASA Astrophysics Data System (ADS)

Anbarasu, G.; Malathy, M.; Karthikeyan, P.; Rajavel, R.

2017-09-01

Silica functionalized Cu(II) acetylacetonate Schiff base complex via the one pot reaction of silica functionalized 3-aminopropyltriethoxysilane with acetyl acetone and copper acetate has been reported. The synthesized material was well characterized by analytical techniques such as FT-IR, UV-DRS, XRD, SEM-EDX, HR-TEM, EPR, ICP-AES and BET analysis. The characterization results confirmed the grafting of Cu(II) Schiff base complex on the silica surface. The catalytic activity of synthesized silica functionalized Cu(II) acetylacetonate Schiff base complex was evaluated through the oxidative condensation reaction of benzyl alcohol to imine.

Energy Approach-Based Simulation of Structural Materials High-Cycle Fatigue

NASA Astrophysics Data System (ADS)

Balayev, A. F.; Korolev, A. V.; Kochetkov, A. V.; Sklyarova, A. I.; Zakharov, O. V.

2016-02-01

The paper describes the mechanism of micro-cracks development in solid structural materials based on the theory of brittle fracture. A probability function of material cracks energy distribution is obtained using a probabilistic approach. The paper states energy conditions for cracks growth at material high-cycle loading. A formula allowing to calculate the amount of energy absorbed during the cracks growth is given. The paper proposes a high- cycle fatigue evaluation criterion allowing to determine the maximum permissible number of solid body loading cycles, at which micro-cracks start growing rapidly up to destruction.

Dibenzosiloles and 12H-indololo[3,2-d]naphtho[1,2-b][1]siloles: exploration of organic chromophores exhibiting efficient solid-state fluorescence.

PubMed

Shimizu, Masaki

2015-02-01

The construction of a diorganosilylene bridge over a biaryl moiety at the 2,2'-positions is a versatile strategy for fine-tuning its HOMO-LUMO energy gap, which is closely linked to the electronic and optical properties of the compounds. Therefore, there is growing interest in the use of silicon-bridged biaryl motifs as key cores of various types of advanced functional materials, such as light-emitting, semiconducting, photovoltaic, and sensing materials. To accelerate the advances of materials based on silicon-bridged biaryls, it is essential to create new classes of biaryls and explore their functions and properties. This Personal Account describes recent research on the development of organic chromophores based on functionalized dibenzosiloles and 12H-indololo[3,2-d]naphtho[1,2-b][1]siloles as solid-state emitters. Copyright © 2014 The Chemical Society of Japan and Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ionic self-assembly for functional hierarchical nanostructured materials.

PubMed

Faul, Charl F J

2014-12-16

CONSPECTUS: The challenge of constructing soft functional materials over multiple length scales can be addressed by a number of different routes based on the principles of self-assembly, with the judicious use of various noncovalent interactions providing the tools to control such self-assembly processes. It is within the context of this challenge that we have extensively explored the use of an important approach for materials construction over the past decade: exploiting electrostatic interactions in our ionic self-assembly (ISA) method. In this approach, cooperative assembly of carefully chosen charged surfactants and oppositely charged building blocks (or tectons) provides a facile noncovalent route for the rational design and production of functional nanostructured materials. Generally, our research efforts have developed with an initial focus on establishing rules for the construction of novel noncovalent liquid-crystalline (LC) materials. We found that the use of double-tailed surfactant species (especially branched double-tailed surfactants) led to the facile formation of thermotropic (and, in certain cases, lyotropic) phases, as demonstrated by extensive temperature-dependent X-ray and light microscopy investigations. From this core area of activity, research expanded to cover issues beyond simple construction of anisotropic materials, turning to the challenge of inclusion and exploitation of switchable functionality. The use of photoactive azobenzene-containing ISA materials afforded opportunities to exploit both photo-orientation and surface relief grating formation. The preparation of these anisotropic LC materials was of interest, as the aim was the facile production of disposable and low-cost optical components for display applications and data storage. However, the prohibitive cost of the photo-orientation processes hampered further exploitation of these materials. We also expanded our activities to explore ISA of biologically relevant tectons, specifically deoxyguanosine monophosphate. This approach proved, in combination with block copolymer (BCP) self-assembly, very fruitful for the construction of complex and hierarchical functional materials across multiple length scales. Molecular frustration and incommensurability, which played a major role in structure formation in combination with nucleotide assembly, have now become important tools to tune supramolecular structure formation. These concepts, that is, the use of BCP assembly and incommensurability, in combination with metal-containing polymeric materials, have provided access to novel supramolecular morphologies and, more importantly, design rules to prepare such constructs. These design rules are now also being applied to the assembly of electroactive oligo(aniline)-based materials for the preparation of highly ordered functional soft materials, and present an opportunity for materials development for applications in energy storage. In this Account, we therefore discuss investigations into (i) the inclusion and preparation of supramolecular photoactive and electroactive materials; (ii) the exploitation and control over multiple noncovalent interactions to fine-tune function, internal structure, and long-range order and (iii) exploration of construction over multiple length scales by combination of ISA with well-known BCP self-assembly. Combination of ISA with tuning of volume fractions, mutual compatibility, and molecular frustration now provides a versatile tool kit to construct complex and hierarchical functional materials in a facile noncovalent way. A direct challenge for future ISA activities would certainly be the construction of functional mesoscale objects. However, within a broader scientific context, the challenge would be to exploit this powerful assembly tool for application in areas of research with societal impact, for example, energy storage and generation. The hope is that this Account will provide a platform for such future research activities and opportunities.

Protein-Based Drug-Delivery Materials

PubMed Central

Jao, Dave; Xue, Ye; Medina, Jethro; Hu, Xiao

2017-01-01

There is a pressing need for long-term, controlled drug release for sustained treatment of chronic or persistent medical conditions and diseases. Guided drug delivery is difficult because therapeutic compounds need to survive numerous transport barriers and binding targets throughout the body. Nanoscale protein-based polymers are increasingly used for drug and vaccine delivery to cross these biological barriers and through blood circulation to their molecular site of action. Protein-based polymers compared to synthetic polymers have the advantages of good biocompatibility, biodegradability, environmental sustainability, cost effectiveness and availability. This review addresses the sources of protein-based polymers, compares the similarity and differences, and highlights characteristic properties and functionality of these protein materials for sustained and controlled drug release. Targeted drug delivery using highly functional multicomponent protein composites to guide active drugs to the site of interest will also be discussed. A systematical elucidation of drug-delivery efficiency in the case of molecular weight, particle size, shape, morphology, and porosity of materials will then be demonstrated to achieve increased drug absorption. Finally, several important biomedical applications of protein-based materials with drug-delivery function—including bone healing, antibiotic release, wound healing, and corneal regeneration, as well as diabetes, neuroinflammation and cancer treatments—are summarized at the end of this review. PMID:28772877

Fiber-based wearable electronics: a review of materials, fabrication, devices, and applications.

PubMed

Zeng, Wei; Shu, Lin; Li, Qiao; Chen, Song; Wang, Fei; Tao, Xiao-Ming

2014-08-20

Fiber-based structures are highly desirable for wearable electronics that are expected to be light-weight, long-lasting, flexible, and conformable. Many fibrous structures have been manufactured by well-established lost-effective textile processing technologies, normally at ambient conditions. The advancement of nanotechnology has made it feasible to build electronic devices directly on the surface or inside of single fibers, which have typical thickness of several to tens microns. However, imparting electronic functions to porous, highly deformable and three-dimensional fiber assemblies and maintaining them during wear represent great challenges from both views of fundamental understanding and practical implementation. This article attempts to critically review the current state-of-arts with respect to materials, fabrication techniques, and structural design of devices as well as applications of the fiber-based wearable electronic products. In addition, this review elaborates the performance requirements of the fiber-based wearable electronic products, especially regarding the correlation among materials, fiber/textile structures and electronic as well as mechanical functionalities of fiber-based electronic devices. Finally, discussions will be presented regarding to limitations of current materials, fabrication techniques, devices concerning manufacturability and performance as well as scientific understanding that must be improved prior to their wide adoption. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tests of potential functional barriers for laminated multilayer food packages. Part I: Low molecular weight permeants.

PubMed

Simal-Gándara, J; Sarria-Vidal, M; Koorevaar, A; Rijk, R

2000-08-01

The advent of the functional barrier concept in food packaging has brought with it a requirement for fast tests of permeation through potential barrier materials. In such tests it would be convenient for both foodstuffs and materials below the functional barrier (sub-barrier materials) to be represented by standard simulants. By means of inverse gas chromatography, liquid paraffin spiked with appropriate permeants was considered as a potential simulant of sub-barrier materials based on polypropylene (PP) or similar polyolefins. Experiments were performed to characterize the kinetics of the permeation of low molecular weight model permeants (octene, toluene and isopropanol) from liquid paraffin, through a surrogate potential functional barrier (25 microns-thick oriented PP) into the food stimulants olive oil and 3% (w/v) acetic acid. These permeation results were interpreted in terms of three permeation kinetic models regarding the solubility of a particular model permeant in the post-barrier medium (i.e. the food simulant). The results obtained justify the development and evaluation of liquid sub-barrier simulants that would allow flexible yet rigorous testing of new laminated multilayer packaging materials.

Multi-Stimuli-Responsive Polymer Materials: Particles, Films, and Bulk Gels.

PubMed

Cao, Zi-Quan; Wang, Guo-Jie

2016-06-01

Stimuli-responsive polymers have received tremendous attention from scientists and engineers for several decades due to the wide applications of these smart materials in biotechnology and nanotechnology. Driven by the complex functions of living systems, multi-stimuli-responsive polymer materials have been designed and developed in recent years. Compared with conventional single- or dual-stimuli-based polymer materials, multi-stimuli-responsive polymer materials would be more intriguing since more functions and finer modulations can be achieved through more parameters. This critical review highlights the recent advances in this area and focuses on three types of multi-stimuli-responsive polymer materials, namely, multi-stimuli-responsive particles (micelles, micro/nanogels, vesicles, and hybrid particles), multi-stimuli-responsive films (polymer brushes, layer-by-layer polymer films, and porous membranes), and multi-stimuli-responsive bulk gels (hydrogels, organogels, and metallogels) from recent publications. Various stimuli, such as light, temperature, pH, reduction/oxidation, enzymes, ions, glucose, ultrasound, magnetic fields, mechanical stress, solvent, voltage, and electrochemistry, have been combined to switch the functions of polymers. The polymer design, preparation, and function of multi-stimuli-responsive particles, films, and bulk gels are comprehensively discussed here. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theoretical Development of an Orthotropic Elasto-Plastic Generalized Composite Material Model

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Carney, Kelly S.; DuBois, Paul; Hoffarth, Canio; Harrington, Joseph; Subramanian, Rajan; Blankenhorn, Gunther

2014-01-01

The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites is becoming critical as these materials are gaining increased usage in the aerospace and automotive industries. While there are several composite material models currently available within LS-DYNA (Registered), there are several features that have been identified that could improve the predictive capability of a composite model. To address these needs, a combined plasticity and damage model suitable for use with both solid and shell elements is being developed and is being implemented into LS-DYNA as MAT_213. A key feature of the improved material model is the use of tabulated stress-strain data in a variety of coordinate directions to fully define the stress-strain response of the material. To date, the model development efforts have focused on creating the plasticity portion of the model. The Tsai-Wu composite failure model has been generalized and extended to a strain-hardening based orthotropic material model with a non-associative flow rule. The coefficients of the yield function, and the stresses to be used in both the yield function and the flow rule, are computed based on the input stress-strain curves using the effective plastic strain as the tracking variable. The coefficients in the flow rule are computed based on the obtained stress-strain data. The developed material model is suitable for implementation within LS-DYNA for use in analyzing the nonlinear response of polymer composites.

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

PubMed Central

Hesemann, Peter; Nguyen, Thy Phung; Hankari, Samir El

2014-01-01

The synthesis of nanostructured anionic-surfactant-templated mesoporous silica (AMS) recently appeared as a new strategy for the formation of nanostructured silica based materials. This method is based on the use of anionic surfactants together with a co-structure-directing agent (CSDA), mostly a silylated ammonium precursor. The presence of this CSDA is necessary in order to create ionic interactions between template and silica forming phases and to ensure sufficient affinity between the two phases. This synthetic strategy was for the first time applied in view of the synthesis of surface functionalized silica bearing ammonium groups and was then extended on the formation of materials functionalized with anionic carboxylate and bifunctional amine-carboxylate groups. In the field of silica hybrid materials, the “anionic templating” strategy has recently been applied for the synthesis of silica hybrid materials from cationic precursors. Starting from di- or oligosilylated imidazolium and ammonium precursors, only template directed hydrolysis-polycondensation reactions involving complementary anionic surfactants allowed accessing structured ionosilica hybrid materials. The mechanistic particularity of this approach resides in the formation of precursor-surfactant ion pairs in the hydrolysis-polycondensation mixture. This review gives a systematic overview over the various types of materials accessed from this cooperative ionic templating approach and highlights the high potential of this original strategy for the formation of nanostructured silica based materials which appears as a complementary strategy to conventional soft templating approaches. PMID:28788602

Design of Chitosan-Grafted Carbon Nanotubes: Evaluation of How the –OH Functional Group Affects Cs+ Adsorption

PubMed Central

Yang, Shubin; Shao, Dadong; Wang, Xiangke; Hou, Guangshun; Nagatsu, Masaaki; Tan, Xiaoli; Ren, Xuemei; Yu, Jitao

2015-01-01

In order to explore the effect of –OH functional groups in Cs+ adsorption, we herein used the low temperature plasma-induced grafting method to graft chitosan onto carbon nanotubes (denoted as CTS-g-CNTs), as raw-CNTs have few functional groups and chitosan has a large number of –OH functional groups. The synthesized CTS-g-CNT composites were characterized using different techniques. The effect of –OH functional groups in the Cs+ adsorption process was evaluated by comparison of the adsorption properties of raw-CNTs with and without grafting chitosan. The variation of environmental conditions such as pH and contact time was investigated. A comparison of contaminated seawater and simulated groundwater was also evaluated. The results indicated that: (1) the adsorption of Cs+ ions was strongly dependent on pH and the competitive cations; (2) for CNT-based material, the –OH functional groups have a positive effect on Cs+ removal; (3) simulated contaminated groundwater can be used to model contaminated seawater to evaluate the adsorption property of CNTs-based material. These results showed direct observational evidence on the effect of –OH functional groups for Cs+ adsorption. Our findings are important in providing future directions to design and to choose effective material to remedy the removal of radioactive cesium from contaminated groundwater and seawater, crucial for public health and the human social environment. PMID:26006711

THE USE OF ARCHITECTURAL ACOUSTICAL MATERIALS, THEORY AND PRACTICE. SECOND EDITION.

ERIC Educational Resources Information Center

Acoustical Materials Association, New York, NY.

THIS DISCUSSION OF THE BASIC FUNCTION OF ACOUSTICAL MATERIALS--THE CONTROL OF SOUND BY SOUND ABSORPTION--IS BASED ON THE WAVE AND ENERGY PROPERTIES OF SOUND. IT IS STATED THAT, IN GENERAL, A MUCH LARGER VOLUME OF ACOUSTICAL MATERIALS IS NEEDED TO REMOVE DISTRACTING NOISE FROM CLASSROOMS AND OFFICES, FOR EXAMPLE, THAN FROM AUDITORIUMS, WHERE A…

Materials taking a lesson from nature.

PubMed

Tian, Liangfei; Croisier, Emmanuel; Frauenrath, Holger

2013-01-01

Structural biomaterials with their often extraordinary properties and versatile functions are typically constructed from very limited sets of building blocks and types of supramolecular interactions. In this review we discuss how, inspired by nature's design principles for protein-based materials, oligopeptide-modified polymers can be used as a versatile toolbox to program nanostructure and hierarchical structure formation in synthetic materials.

Flight Performance of an Advanced Thermal Protection Material: Toughened Uni-Piece Fibrous Insulation

NASA Technical Reports Server (NTRS)

Leiser, Daniel B.; Gordon, Michael P.; Rasky, Daniel J. (Technical Monitor)

1995-01-01

The flight performance of a new class of low density, high temperature thermal protection materials (TPM) is described and compared to "standard" Space Shuttle TPM. This new functionally gradient material designated as Toughened Uni-Piece Fibrous Insulation (TUFI), was bonded on a removable panel attached to the base heat shield of Orbiter 105, Endeavour.

Flight Performance of an Advanced Thermal Protection Material: Toughened Uni-Piece Fibrous Insulation

NASA Technical Reports Server (NTRS)

Leiser, Daniel B.; Gordon, Michael P.; Rasky, Daniel J. (Technical Monitor)

1995-01-01

The flight performance of a new class of low density, high temperature, thermal protection materials (TPM), is described and compared to "standard" Space Shuttle TPM. This new functionally gradient material designated as Toughened Uni-Piece Fibrous Insulation (TUFI), was bonded on a removable panel attached to the base heatshield of Orbiter 105, Endeavor.

A color-tunable luminescent material with functionalized graphitic carbon nitride as multifunctional supports

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

Lu, Jiutian; Cao, Yudong; Fan, Hai

2015-12-15

A color-tunable luminescent material was prepared based on the composition of functionalized graphitic carbon nitride (g-C{sub 3}N{sub 4}) and europium (III). The functionalized g-C{sub 3}N{sub 4} layers not only behave as multifunctional supports including ligand coordinated with europium (III) and a support structure for the formation of the luminescent material, but exhibit excitation wavelength-dependent luminescence, thus the energy transfer between the functionalized g-C{sub 3}N{sub 4} and europium (III) can match very well by controlling the emission wavelength of functionalized g-C{sub 3}N{sub 4}. The as-prepared materials was comprehensively characterized via X-ray photoelectron spectroscopy, Fourier Transform Infrared spectroscopy, X-ray scattering techniques, Ultravioletmore » and Visible spectrophotometer, fluorescence spectrophotometer, thermogravimetric analysis, etc. The luminescent material exhibits multi-color emissions which are consistent with the characteristic emissions of europium (III) and functionalized g-C{sub 3}N{sub 4}, and the photoluminescence quality and density of the europium (III) can be greatly enhanced. The brilliant optical properties of the materials make them suiting for multipurpose applications in practical fields. - Graphical abstract: Schematic illustration of the synthesis and basic composition of the luminescent material. Inset figures were luminescence emission spectra of g-C{sub 3}N{sub 4} (A), europium (III) complex (a) and luminescent material (b) with the same concentration in (B) (K{sub ex}=350 nm) and photographs of (left) H{sub 2}O and (right) the H{sub 2}O dispersion of luminescence emission spectra under 350 nm UV radiation. The energy transfer in the luminescent material matchs very well and it exhibits multi-color emissions simultaneously. The enhanced photoluminescence quality and density of the europium (III) makes them suiting for multipurpose applications in practical fields. - Highlights: • Luminescent material exhibits multi-color emissions when excited by single wavelength. • The energy trsnsfer between functionalized g-C{sub 3}N{sub 4} and europium matches very vell. • Functionalized g-C{sub 3}N{sub 4} exhibits excitation wavelength-depengdent bright blue luminescence. • Functionalized g-C{sub 3}N{sub 4} layer provided as multifunctional supports.« less

Photochemistry of Fe(Iii)-Carboxylates in Polysaccharide-Based Materials with Tunable Mechanical Properties

NASA Astrophysics Data System (ADS)

Giammanco, Giuseppe E.

We present the formulation and study of light-responsive materials based on carboxylate-containing polysaccharides. The functional groups in these natural polymers allow for strong interactions with transition metal ions such as Fe(III). The known photochemistry of hydroxycarboxylic acids in natural waters inspired us in exploring the visible light induced photochemistry of the carboxylates in these polysaccharides when coordinated to Fe(III) ions. Described in this dissertation are the design and characterization of the Fe(III)-polysaccharide materials, specifically the mechanistic aspects of the photochemistry and the effects that these reactions have on the structure of the polymer materials. We present a study of the quantitative photochemistry of different polysaccharide systems, where the presence of uronic acids was important for the photoreaction to take place. Alginate (Alg), pectate (Pec), hyaluronic acid (Hya), xanthan gum (Xan), and a polysaccharide extracted from the Noni fruit (NoniPs), were among the natural uronic acid-containing polysaccharide (UCPS) systems we analyzed. Potato starch, lacking of uronate groups, did not present any photochemistry in the presence of Fe(III); however, we were able to induce a photochemical response in this polysaccharide upon chemical manipulation of its functional groups. Important structure-function relationships were drawn from this study. The uronate moiety present in these polysaccharides is then envisioned as a tool to induce response to light in a variety of materials. Following this approach, we report the formulation of materials for controlled drug release, able to encapsulate and release different drug models only upon illumination with visible light. Furthermore, hybrid hydrogels were prepared from UPCS and non-responsive polymers. Different properties of these materials could be tuned by controlling the irradiation time, intensity and location. These hybrid gels were evaluated as scaffolds for tissue engineering showing great promise, as changes in the behavior of the growing cells were observed as a result of the photochemical treatment of the material. We present these natural and readily available, polysaccharide-based, metal-coordination materials as convenient building blocks in the formulation of new stimuli responsive materials. The photochemical methods developed here can be used as convenient tools for creating advanced materials with tailored patterns and gradients of mechanical properties.

Model of bidirectional reflectance distribution function for metallic materials

NASA Astrophysics Data System (ADS)

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.

Physicochemical and bioactive properties of innovative resin-based materials containing functional halloysite-nanotubes fillers.

PubMed

Degrazia, Felipe Weidenbach; Leitune, Vicente Castelo Branco; Takimi, Antonio Shigueaki; Collares, Fabrício Mezzomo; Sauro, Salvatore

2016-09-01

This study aimed to assess the degree of conversion, microhardness, solvent degradation, contact angle, surface free energy and bioactivity (e.g., mineral precipitation) of experimental resin-based materials containing, pure or triclosan-encapsulated, aluminosilicate-(halloysite) nanotubes. An experimental resin blend was prepared using bis-GMA/TEGDMA, 75/25wt% (control). Halloysite nanotubes (HNT) doped with or without triclosan (TCN) were first analyzed using transmission electron microscopy (TEM). HNT or HNT/TCN fillers were incorporated into the resin blend at different concentrations (5, 10, and 20wt%). Seven experimental resins were created and the degree of conversion, microhardness, solvent degradation and contact angle were assessed. Bioactive mineral precipitation induced by the experimental resins was evaluated through Raman spectroscopy and SEM-EDX. TEM showed a clear presence of TCN particles inside the tubular lumen and along the outer surfaces of the halloysite nanotubes. The degree of conversion, surface free energy, microhardness, and mineral deposition of polymers increased with higher amount of HNTs. Conversely, the higher the amount (20wt%) of TCN-loaded HNTs the lower the microhardness of the experimental resins. The incorporation of pure or TCN-loaded aluminosilicate-(halloysite) nanotubes into resin-based materials increase the bioactivity of such experimental restorative materials and promotes mineral deposition. Therefore, innovative resin-based materials containing functional halloysite-nanotube fillers may represent a valuable alternative for therapeutic minimally invasive treatments. Copyright © 2016 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

WE-FG-207B-02: Material Reconstruction for Spectral Computed Tomography with Detector Response Function

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

Liu, J; Gao, H

2016-06-15

Purpose: Different from the conventional computed tomography (CT), spectral CT based on energy-resolved photon-counting detectors is able to provide the unprecedented material composition. However, an important missing piece for accurate spectral CT is to incorporate the detector response function (DRF), which is distorted by factors such as pulse pileup and charge-sharing. In this work, we propose material reconstruction methods for spectral CT with DRF. Methods: The polyenergetic X-ray forward model takes the DRF into account for accurate material reconstruction. Two image reconstruction methods are proposed: a direct method based on the nonlinear data fidelity from DRF-based forward model; a linear-data-fidelitymore » based method that relies on the spectral rebinning so that the corresponding DRF matrix is invertible. Then the image reconstruction problem is regularized with the isotropic TV term and solved by alternating direction method of multipliers. Results: The simulation results suggest that the proposed methods provided more accurate material compositions than the standard method without DRF. Moreover, the proposed method with linear data fidelity had improved reconstruction quality from the proposed method with nonlinear data fidelity. Conclusion: We have proposed material reconstruction methods for spectral CT with DRF, whichprovided more accurate material compositions than the standard methods without DRF. Moreover, the proposed method with linear data fidelity had improved reconstruction quality from the proposed method with nonlinear data fidelity. Jiulong Liu and Hao Gao were partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000), and the Shanghai Pujiang Talent Program (#14PJ1404500).« less

Arginine-glycine-aspartic acid functional branched semi-interpenetrating hydrogels.

PubMed

Plenderleith, Richard A; Pateman, Christopher J; Rodenburg, Cornelia; Haycock, John W; Claeyssens, Frederik; Sammon, Chris; Rimmer, Stephen

2015-10-14

For the first time a series of functional hydrogels based on semi-interpenetrating networks with both branched and crosslinked polymer components have been prepared and we show the successful use of these materials as substrates for cell culture. The materials consist of highly branched poly(N-isopropyl acrylamide)s with peptide functionalised end groups in a continuous phase of crosslinked poly(vinyl pyrrolidone). Functionalisation of the end groups of the branched polymer component with the GRGDS peptide produces a hydrogel that supports cell adhesion and proliferation. The materials provide a new synthetic functional biomaterial that has many of the features of extracellular matrix, and as such can be used to support tissue regeneration and cell culture. This class of high water content hydrogel material has important advantages over other functional hydrogels in its synthesis and does not require post-processing modifications nor are functional-monomers, which change the polymerisation process, required. Thus, the systems are amenable to large scale and bespoke manufacturing using conventional moulding or additive manufacturing techniques. Processing using additive manufacturing is exemplified by producing tubes using microstereolithography.

Investigation of cross-linking characteristics of novel hole-transporting materials for solution-processed phosphorescent OLEDs

NASA Astrophysics Data System (ADS)

Lee, Jaemin; Ameen, Shahid; Lee, Changjin

2016-04-01

After the success of commercialization of the vacuum-evaporated organic light-emitting diodes (OLEDs), solutionprocessing or printing of OLEDs are currently attracting much research interests. However, contrary to various kinds of readily available vacuum-evaporable OLED materials, the solution-processable OLED materials are still relatively rare. Hole-transporting layer (HTL) materials for solution-processed OLEDs are especially limited, because they need additional characteristics such as cross-linking to realize multilayer structures in solution-processed OLEDs, as well as their own electrically hole-transporting characteristics. The presence of such cross-linking characteristics of solutionprocessable HTL materials therefore makes them more challenging in the development stage, and also makes them essence of solution-processable OLED materials. In this work, the structure-property relationships of thermally crosslinkable HTL materials were systematically investigated by changing styrene-based cross-linking functionalities and modifying the carbazole-based hole-transporting core structures. The temperature dependency of the cross-linking characteristics of the HTL materials was systematically investigated by the UV-vis. absorption spectroscopy. The new HTL materials were also applied to green phosphorescent OLEDs, and their device characteristics were also investigated based on the chemical structures of the HTL materials. The device configuration was [ITO / PEDOT:PSS / HTL / EML / ETL / CsF / Al]. We found out that the chemical structures of the cross-linking functionalities greatly affect not only the cross-linking characteristics of the resultant HTL materials, but also the resultant OLED device characteristics. The increase of the maximum luminance and efficiency of OLEDs was evident as the cross-linking temperature decreases from higher than 200°C to at around 150°C.

Bacterial Cellulose: A Robust Platform for Design of Three Dimensional Carbon-Based Functional Nanomaterials.

PubMed

Wu, Zhen-Yu; Liang, Hai-Wei; Chen, Li-Feng; Hu, Bi-Cheng; Yu, Shu-Hong

2016-01-19

Three dimensional (3D) carbon nanomaterials exhibit great application potential in environmental protection, electrochemical energy storage and conversion, catalysis, polymer science, and advanced sensors fields. Current methods for preparing 3D carbon nanomaterials, for example, carbonization of organogels, chemical vapor deposition, and self-assembly of nanocarbon building blocks, inevitably involve some drawbacks, such as expensive and toxic precursors, complex equipment and technological requirements, and low production ability. From the viewpoint of practical application, it is highly desirable to develop a simple, cheap, and environmentally friendly way for fabricating 3D carbon nanomaterials in large scale. On the other hand, in order to extend the application scope and improve the performance of 3D carbon nanomaterials, we should explore efficient strategies to prepare diverse functional nanomaterials based on their 3D carbon structure. Recently, many researchers tend to fabricate high-performance 3D carbon-based nanomaterials from biomass, which is low cost, easy to obtain, and nontoxic to humans. Bacterial cellulose (BC), a typical biomass material, has long been used as the raw material of nata-de-coco (an indigenous dessert food of the Philippines). It consists of a polysaccharide with a β-1,4-glycosidic linkage and has a interconnected 3D porous network structure. Interestingly, the network is made up of a random assembly of cellulose nanofibers, which have a high aspect ratio with a diameter of 20-100 nm. As a result, BC has a high specific surface area. Additionally, BC hydrogels can be produced on an industrial scale via a microbial fermentation process at a very low price. Thus, it can be an ideal platform for design of 3D carbon-based functional nanomaterials. Before our work, no systematic work and summary on this topic had been reported. This Account presents the concepts and strategies of our studies on BC in the past few years, that is, converting cheap biomass into high value-added 3D carbon nanomaterials and designing diverse functional materials on 3D carbon structure. We first briefly introduce the history, constituent, and microstructure features of BC and discuss its advantages as a raw material for preparing the CNF aerogels. Then, we summarize the methods and strategies for preparing various 3D carbon-based nanomaterials from BC. In addition, the potential applications of the developed CNF aerogel based functional materials are also highlighted in this Account, including stretchable conductors, oxygen reduction reaction catalysts, supercapacitors, lithium-ion battery, and oil cleanup. Finally, we give some prospects on the future challenges in this emerging research area of designing CNF aerogel based functional nanomaterials from BC.

Functional Hybrid Biomaterials based on Peptide-Polymer Conjugates for Nanomedicine

NASA Astrophysics Data System (ADS)

Shu, Jessica Yo

The focus of this dissertation is the design, synthesis and characterization of hybrid functional biomaterials based on peptide-polymer conjugates for nanomedicine. Generating synthetic materials with properties comparable to or superior than those found in nature has been a "holy grail" for the materials community. Man-made materials are still rather simplistic when compared to the chemical and structural complexity of a cell. Peptide-polymer conjugates have the potential to combine the advantages of the biological and synthetic worlds---that is they can combine the precise chemical structure and diverse functionality of biomolecules with the stability and processibility of synthetic polymers. As a new family of soft matter, they may lead to materials with novel properties that have yet to be realized with either of the components alone. In order for peptide-polymer conjugates to reach their full potential as useful materials, the structure and function of the peptide should be maintained upon polymer conjugation. The success in achieving desirable, functional assemblies relies on fundamentally understanding the interactions between each building block and delicately balancing and manipulating these interactions to achieve targeted assemblies without interfering with designed structures and functionalities. Such fundamental studies of peptide-polymer interactions were investigated as the nature of the polymer (hydrophilic vs. hydrophobic) and the site of its conjugation (end-conjugation vs. side-conjugation) were varied. The fundamental knowledge gained was then applied to the design of amphiphiles that self-assemble to form stable functional micelles. The micelles exhibited exceptional monodispersity and long-term stability, which is atypical of self-assembled systems. Thus such micelles based on amphiphilic peptide-polymer conjugates may meet many current demands in nanomedicine, in particular for drug delivery of hydrophobic anti-cancer therapeutics. Lastly, biological evaluations were performed to investigate the potential of micelles as drug delivery vehicles. In vitro cell studies demonstrated that the micelles can be used as a delivery vehicle to tailor the cellular uptake, time release, and intracellular trafficking of drugs. In vivo biodistribution and pharmacokinetic experiments showed long blood circulation. This work demonstrates that peptide-polymer conjugates can be used as building blocks to generate hierarchical functional nanostructures with a wide range of applications, only one of which is drug delivery.

Electrical percolation threshold of cementitious composites possessing self-sensing functionality incorporating different carbon-based materials

NASA Astrophysics Data System (ADS)

Al-Dahawi, Ali; Haroon Sarwary, Mohammad; Öztürk, Oğuzhan; Yıldırım, Gürkan; Akın, Arife; Şahmaran, Mustafa; Lachemi, Mohamed

2016-10-01

An experimental study was carried out to understand the electrical percolation thresholds of different carbon-based nano- and micro-scale materials in cementitious composites. Multi-walled carbon nanotubes (CNTs), graphene nanoplatelets (GNPs) and carbon black (CB) were selected as the nano-scale materials, while 6 and 12 mm long carbon fibers (CF6 and CF12) were used as the micro-scale carbon-based materials. After determining the percolation thresholds of different electrical conductive materials, mechanical properties and piezoresistive properties of specimens produced with the abovementioned conductive materials at percolation threshold were investigated under uniaxial compressive loading. Results demonstrate that regardless of initial curing age, the percolation thresholds of CNT, GNP, CB and CFs in ECC mortar specimens were around 0.55%, 2.00%, 2.00% and 1.00%, respectively. Including different carbon-based conductive materials did not harm compressive strength results; on the contrary, it improved overall values. All cementitious composites produced with carbon-based materials, with the exception of the control mixtures, exhibited piezoresistive behavior under compression, which is crucial for sensing capability. It is believed that incorporating the sensing attribute into cementitious composites will enhance benefits for sustainable civil infrastructures.

Triarylborane-Based Materials for OLED Applications.

PubMed

Turkoglu, Gulsen; Cinar, M Emin; Ozturk, Turan

2017-09-13

Multidisciplinary research on organic fluorescent molecules has been attracting great interest owing to their potential applications in biomedical and material sciences. In recent years, electron deficient systems have been increasingly incorporated into fluorescent materials. Triarylboranes with the empty p orbital of their boron centres are electron deficient and can be used as strong electron acceptors in conjugated organic fluorescent materials. Moreover, their applications in optoelectronic devices, energy harvesting materials and anion sensing, due to their natural Lewis acidity and remarkable solid-state fluorescence properties, have also been investigated. Furthermore, fluorescent triarylborane-based materials have been commonly utilized as emitters and electron transporters in organic light emitting diode (OLED) applications. In this review, triarylborane-based small molecules and polymers will be surveyed, covering their structure-property relationships, intramolecular charge transfer properties and solid-state fluorescence quantum yields as functional emissive materials in OLEDs. Also, the importance of the boron atom in triarylborane compounds is emphasized to address the key issues of both fluorescent emitters and their host materials for the construction of high-performance OLEDs.

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

NASA Astrophysics Data System (ADS)

Gunathilake, Chamila Asanka

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

The preparation and infrared radar stealth performance test of a new paraffin-based phase transition microcapsule

NASA Astrophysics Data System (ADS)

Chen, Yingming; Zhang, Honghong; Gao, Weiting; Chen, Yingmin; Wang, Yifan

2018-04-01

For the problems that the phase change material apply to infrared stealth exists easy to broken, hard to control temperature, narrow infrared channel and based on the basic principles of infrared stealth technology, this paper proposed a scheme of thermal infrared composite invisibility multi-layer wrapping, which based on two sides, one is to control the material surface temperature, another is to reduce its infrared emissivity and combine with visible light pigment and electromagnetic wave absorbing material, to realize the materials' wide band compatible stealth. First, choose urea formaldehyde resin and paraffin to prepare multiphase-change microcapsules, and then combine it with the ferroferric oxide absorbing material, zinc oxide visible light pigment, to make the stealth material of wide band. The experimental results show that the new phase change capsule can realize the function of temperature control and infrared stealth in a special temperature range.

Progress In Developing Laser Based Post Irradiation Examination Infrastructure

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

Smith, James A.; Scott, Clark L.; Benefiel, Brad C.

To be able to understand the performance of reactor fuels and materials, irradiated materials must be characterized effectively and efficiently in a high rad environment. The characterization work must be performed remotely and in an environment hostile to instrumentation. Laser based characterization techniques provide the ability to be remote and robust in a hot-cell environment. Laser based instrumentation also can provide high spatial resolution suitable for scanning and imaging large areas. The INL is currently developing three laser based Post Irradiation Examination (PIE) stations for the Hot Fuel Examination Facility at the INL. These laser based systems will characterize irradiatedmore » materials and fuels. The characterization systems are the following: Laser Shock Laser based ultrasonic C-scan system Gas Assay, Sample, and Recharge system (GASR, up-grade to an existing system). The laser shock technique will characterize material properties and failure loads/mechanisms in various materials such as LWR fuel, plate fuel, and next generation fuel forms, for PIE in high radiation areas. The laser shock-technique induces large amplitude shock waves to mechanically characterize interfaces such as the fuel-clad bond. The shock wave travels as a compression wave through the material to the free (unconfined) back surface and reflects back through the material under test as a rarefaction (tensile) wave. This rarefaction wave is the physical mechanism that produces internal de-lamination failure. As part of the laser shock system, a laser-based ultrasonic C-scan system will be used to detect and characterize debonding caused by the laser shock technique. The laser ultrasonic system will be fully capable of performing classical non-destructive evaluation testing and imaging functions such as microstructure characterization, flaw detection and dimensional metrology in complex components. The purpose of the GASR is to measure the pressure/volume of the plenum of an irradiated fuel element and obtain fission gas samples for analysis. The study of pressure and volume in the plenum of an irradiated fuel element and the analysis of fission gases released from the fuel is important to understanding the performance of reactor fuels and materials. This system may also be used to measure the pressure/volume of other components (such as control blades) and obtain gas samples from these components for analysis. The main function of the laser in this application is to puncture the fuel element to allow the fission gas to escape and if necessary to weld the spot close. The GASR station will have the inherent capability to perform cutting welding and joining functions within a hot-cell.« less

Application of trilinear softening functions based on a cohesive crack approach to the simulation of the fracture behaviour of fibre reinforced cementitious materials.

NASA Astrophysics Data System (ADS)

Enfedaque, A.; Alberti, M. G.; Gálvez, J. C.

2017-09-01

The relevance of fibre reinforced cementitious materials (FRC) has increased due to the appearance of regulations that establish the requirements needed to take into account the contribution of the fibres in the structural design. However, in order to exploit the properties of such materials it is a key aspect being able to simulate their behaviour under fracture conditions. Considering a cohesive crack approach, several authors have studied the suitability of using several softening functions. However, none of these functions can be directly applied to FRC. The present contribution analyses the suitability of multilinear softening functions in order to obtain simulation results of fracture tests of a wide variety of FRC. The implementation of multilinear softening functions has been successfully performed by means of a material user subroutine in a commercial finite element code obtaining accurate results in a wide variety of FRC. Such softening functions were capable of simulating a ductile unloading behaviour as well as a rapid unloading followed by a reloading and afterwards a slow unloading. Moreover, the implementation performed has been proven as versatile, robust and efficient from a numerical point of view.

A thermodynamic approach to nonlinear ultrasonics for material state awareness and prognosis

NASA Astrophysics Data System (ADS)

Chillara, Vamshi Krishna

2017-11-01

We develop a thermodynamic framework for modeling nonlinear ultrasonic damage sensing and prognosis in materials undergoing progressive damage. The framework is based on the internal variable approach and relies on the construction of a pseudo-elastic strain energy function that captures the energetics associated with the damage progression. The pseudo-elastic strain energy function is composed of two energy functions—one that describes how a material stores energy in an elastic fashion and the other describes how material dissipates energy or stores it in an inelastic fashion. Experimental motivation for the choice of the above two functionals is discussed and some specific choices pertaining to damage progression during fatigue and creep are presented. The thermodynamic framework is employed to model the nonlinear response of material undergoing stress relaxation and creep-like degradation. For each of the above cases, evolution of the nonlinearity parameter with damage as well as with macroscopic measurables like accumulated plastic strain is obtained.

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

Stoynov, Y.

Functionally graded materials (FGM) are extensively used in modern industry. They are composite materials with continuously varying properties in one or more special dimensions, according to the specific purpose. In view of the wide range of applications of FGM, stress analysis is important for their structural integrity and reliable service life. In this study we will consider functionally graded magneto-electro-elastic materials with one or more cracks subjected to SH waves. We assume that the material properties vary in one and the same way, described by an inhomogeneity function. The boundary value problem is reduced to a system of integro-differential equationsmore » based on the existence of fundamental solutions. Different inhomogeneity classes are used to obtain a wave equation with constant coefficients. Radon transform is applied to derive the fundamental solution in a closed form. Program code in FORTRAN 77 is developed and validated using available examples from literature. Simulations show the dependence of stress field concentration near the crack tips on the frequency of the applied time-harmonic load for different types of material inhomogeneity.« less

[Evidence-based management of medical disposable materials].

PubMed

Yang, Hai

2009-03-01

Evidence-based management of medical disposable materials pays attention to collect evidence comprehensively and systematically, accumulate and create evidence through its own work and also evaluate evidence strictly. This can be used as a function to guide out job. Medical disposable materials evidence system contains product register qualification, product quality certification, supplier's behavior, internal and external communication evidence. Managers can find different ways in creating and using evidence referring to specific inside and outside condition. Evidence-based management can help accelerating the development of management of medical disposable materials from traditional experience pattern to a systematic and scientific pattern. It also has the very important meaning to improve medical quality, control the unreasonable growth of medical expense and make purchase and supply chain be more efficient.

Proposed test program and data base for LDEF polymer matrix composites

NASA Technical Reports Server (NTRS)

Tennyson, R. C.; George, Pete; Steckel, Gary L.; Zimcik, D. G.

1992-01-01

A survey of the polymer matrix composite materials that were flown on Long Duration Exposure Facility (LDEF) is presented with particular attention to the effect of circumferential location (alpha) on the measured degradation and property changes. Specifically, it is known that atomic oxygen fluence (AO), VUV radiation dose, and number of impacts by micrometeoroids/debris vary with alpha. Thus, it is possible to assess material degradation and property damage changes with alpha for those materials that are common to three or more locations. Once the alpha-dependence functions were defined, other material samples will provide data that can readily be used to predict damage and property changes as a function of alpha as well. What data can be realistically obtained from these materials, how this data can be obtained, and the scientific/design value of the data to the user community is summarized. Finally, a proposed test plan is presented with recommended characterization methodologies that should be employed by all investigators to ensure consistency in the data base that will result from this exercise.

Computational screening of organic materials towards improved photovoltaic properties

NASA Astrophysics Data System (ADS)

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

2015-03-01

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

Organic Synthetic Advanced Materials for Optoelectronic and Energy Applications (at National Sun Yat-sen University) 

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

Yen, Hung-Ju

These slides cover Hung-Ju Yen's recent work in the synthesis and structural design of functional materials, which were further used for optoelectronic and energy applications, such as lithium ion battery, solar cell, LED, electrochromic, and fuel cells. This was for a job interview at National Sun Yat-sen University. The following topics are detailed: current challenges for lithium-ion batteries; graphene, graphene oxide and nanographene; nanographenes with various functional groups; fine tune d-spacing through organic synthesis: varying functional group; schematic view of LIBs; nanographenes as LIB anode; rate performance (charging-discharging); electrochromic technology; electrochromic materials; advantages of triphenylamine; requirement of electrochromic materials formore » practical applications; low driving voltage and long cycle life; increasing the electroactive sites by multi-step synthetic procedures; synthetic route to starburst triarylamine-based polyamide; electrochromism ranging from visible to NIR region; transmissive to black electrochromism; RGB and CMY electrochromism.« less

3D Printed Bionic Nanodevices.

PubMed

Kong, Yong Lin; Gupta, Maneesh K; Johnson, Blake N; McAlpine, Michael C

2016-06-01

The ability to three-dimensionally interweave biological and functional materials could enable the creation of bionic devices possessing unique and compelling geometries, properties, and functionalities. Indeed, interfacing high performance active devices with biology could impact a variety of fields, including regenerative bioelectronic medicines, smart prosthetics, medical robotics, and human-machine interfaces. Biology, from the molecular scale of DNA and proteins, to the macroscopic scale of tissues and organs, is three-dimensional, often soft and stretchable, and temperature sensitive. This renders most biological platforms incompatible with the fabrication and materials processing methods that have been developed and optimized for functional electronics, which are typically planar, rigid and brittle. A number of strategies have been developed to overcome these dichotomies. One particularly novel approach is the use of extrusion-based multi-material 3D printing, which is an additive manufacturing technology that offers a freeform fabrication strategy. This approach addresses the dichotomies presented above by (1) using 3D printing and imaging for customized, hierarchical, and interwoven device architectures; (2) employing nanotechnology as an enabling route for introducing high performance materials, with the potential for exhibiting properties not found in the bulk; 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. Further, 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 blending of 3D printing, novel nanomaterial properties, and 'living' platforms may enable next-generation bionic systems. In this review, we highlight this synergistic integration of the unique properties of nanomaterials with the versatility of extrusion-based 3D printing technologies to interweave nanomaterials and fabricate novel bionic devices.

Sequential Release of Proteins from Structured Multishell Microcapsules.

PubMed

Shimanovich, Ulyana; Michaels, Thomas C T; De Genst, Erwin; Matak-Vinkovic, Dijana; Dobson, Christopher M; Knowles, Tuomas P J

2017-10-09

In nature, a wide range of functional materials is based on proteins. Increasing attention is also turning to the use of proteins as artificial biomaterials in the form of films, gels, particles, and fibrils that offer great potential for applications in areas ranging from molecular medicine to materials science. To date, however, most such applications have been limited to single component materials despite the fact that their natural analogues are composed of multiple types of proteins with a variety of functionalities that are coassembled in a highly organized manner on the micrometer scale, a process that is currently challenging to achieve in the laboratory. Here, we demonstrate the fabrication of multicomponent protein microcapsules where the different components are positioned in a controlled manner. We use molecular self-assembly to generate multicomponent structures on the nanometer scale and droplet microfluidics to bring together the different components on the micrometer scale. Using this approach, we synthesize a wide range of multiprotein microcapsules containing three well-characterized proteins: glucagon, insulin, and lysozyme. The localization of each protein component in multishell microcapsules has been detected by labeling protein molecules with different fluorophores, and the final three-dimensional microcapsule structure has been resolved by using confocal microscopy together with image analysis techniques. In addition, we show that these structures can be used to tailor the release of such functional proteins in a sequential manner. Moreover, our observations demonstrate that the protein release mechanism from multishell capsules is driven by the kinetic control of mass transport of the cargo and by the dissolution of the shells. The ability to generate artificial materials that incorporate a variety of different proteins with distinct functionalities increases the breadth of the potential applications of artificial protein-based materials and provides opportunities to design more refined functional protein delivery systems.

3D Printed Bionic Nanodevices

PubMed Central

Kong, Yong Lin; Gupta, Maneesh K.; Johnson, Blake N.; McAlpine, Michael C.

2016-01-01

Summary The ability to three-dimensionally interweave biological and functional materials could enable the creation of bionic devices possessing unique and compelling geometries, properties, and functionalities. Indeed, interfacing high performance active devices with biology could impact a variety of fields, including regenerative bioelectronic medicines, smart prosthetics, medical robotics, and human-machine interfaces. Biology, from the molecular scale of DNA and proteins, to the macroscopic scale of tissues and organs, is three-dimensional, often soft and stretchable, and temperature sensitive. This renders most biological platforms incompatible with the fabrication and materials processing methods that have been developed and optimized for functional electronics, which are typically planar, rigid and brittle. A number of strategies have been developed to overcome these dichotomies. One particularly novel approach is the use of extrusion-based multi-material 3D printing, which is an additive manufacturing technology that offers a freeform fabrication strategy. This approach addresses the dichotomies presented above by (1) using 3D printing and imaging for customized, hierarchical, and interwoven device architectures; (2) employing nanotechnology as an enabling route for introducing high performance materials, with the potential for exhibiting properties not found in the bulk; 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. Further, 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 blending of 3D printing, novel nanomaterial properties, and ‘living’ platforms may enable next-generation bionic systems. In this review, we highlight this synergistic integration of the unique properties of nanomaterials with the versatility of extrusion-based 3D printing technologies to interweave nanomaterials and fabricate novel bionic devices. PMID:27617026

Palladium and platinum-based nanoparticle functional sensor layers for selective H2 sensing

DOEpatents

Ohodnicki, Jr., Paul R.; Baltrus, John P.; Brown, Thomas D.

2017-07-04

The disclosure relates to a plasmon resonance-based method for H.sub.2 sensing in a gas stream utilizing a hydrogen sensing material. The hydrogen sensing material is comprises Pd-based or Pt-based nanoparticles having an average nanoparticle diameter of less than about 100 nanometers dispersed in an inert matrix having a bandgap greater than or equal to 5 eV, and an oxygen ion conductivity less than approximately 10.sup.-7 S/cm at a temperature of 700.degree. C. Exemplary inert matrix materials include SiO.sub.2, Al.sub.2O.sub.3, and Si.sub.3N.sub.4 as well as modifications to modify the effective refractive indices through combinations and/or doping of such materials. The hydrogen sensing material utilized in the method of this disclosure may be prepared using means known in the art for the production of nanoparticles dispersed within a supporting matrix including sol-gel based wet chemistry techniques, impregnation techniques, implantation techniques, sputtering techniques, and others.

Efficiency of Cs-free materials for negative ion production in H2 and D2 plasmas

NASA Astrophysics Data System (ADS)

Friedl, R.; Kurutz, U.; Fantz, U.

2017-08-01

High power negative ion sources use caesium to reduce the work function of the converter surface which significantly increases the negative ion yield. Caesium, however, is a very reactive alkali-metal and shows complex redistribution dynamics in consequence of plasma-surface-interaction. Thus, maintaining a stable and homogenous low work function surface is a demanding task, which is not easily compatible with the RAMI issues (reliability, availability, maintainability, inspectability) for a future DEMO fusion reactor. Hence, Cs-free alternative materials for efficient negative ion formation are desirable. At the laboratory experiment HOMER materials which are referred to as promising are investigated under identical and ion source relevant parameters: the refractory metals Ta and W, non-doped and boron-doped diamond as well as materials with inherent low work function (lanthanum-doped molybdenum, MoLa and lanthanum hexaboride, LaB6). The results are compared to the effect of in-situ caesiation, which at HOMER leads to a maximal increase of the negative ion density by a factor of 2.5. Among the examined samples low work function materials are most efficient. In particular, MoLa leads to an increase of almost 50 % compared to pure volume formation. The difference to a caesiated surface can be attributed to the still higher work function of MoLa, which is expected to be slightly below 3 eV. Using deuterium instead of hydrogen leads to increased atomic and positive ion densities, while comparable negative ion densities are achieved. In contrast to the low work function materials, bulk samples of the refractory metals as well as carbon based materials have no enhancing effect on H-, where the latter materials furthermore show severe erosion due to the hydrogen plasma.

Facile and easily popularized synthesis of L-cysteine-functionalized magnetic nanoparticles based on one-step functionalization for highly efficient enrichment of glycopeptides.

PubMed

Feng, Xiaoyan; Deng, Chunhui; Gao, Mingxia; Zhang, Xiangmin

2018-01-01

Protein glycosylation is one of the most important post-translational modifications. Also, efficient enrichment and separation of glycopeptides from complex samples are crucial for the thorough analysis of glycosylation. Developing novel hydrophilic materials with facile and easily popularized synthesis is an urgent need in large-scale glycoproteomics research. Herein, for the first time, a one-step functionalization strategy based on metal-organic coordination was proposed and Fe 3 O 4 nanoparticles were directly functionalized with zwitterionic hydrophilic L-cysteine (L-Cys), greatly simplifying the synthetic procedure. The easily synthesized Fe 3 O 4 /L-Cys possessed excellent hydrophilicity and brief composition, contributing to affinity for glycopeptides and reduction in nonspecific interaction. Thus, Fe 3 O 4 /L-Cys nanoparticles showed outstanding sensitivity (25 amol/μL), high selectivity (mixture of bovine serum albumin and horseradish peroxidase tryptic digests at a mass ratio of 100:1), good reusability (five repeated times), and stability (room temperature storage of 1 month). Encouragingly, in the glycosylation analysis of human serum, a total of 376 glycopeptides with 393 N-glycosylation sites corresponding to 118 glycoproteins were identified after enrichment with Fe 3 O 4 /L-Cys, which was superior to ever reported L-Cys modified magnetic materials. Furthermore, applying the one-step functionalization strategy, cysteamine and glutathione respectively direct-functionalized Fe 3 O 4 nanoparticles were successfully synthesized and also achieved efficient glycopeptide enrichment in human serum. The results indicated that we have presented an efficient and easily popularized strategy in glycoproteomics as well as in the synthesis of novel materials. Graphical abstract Fe 3 O 4 /L-Cys nanoparticles based on one-step functionalization for highly efficient enrichment of glycopeptides.

Tuning the acid/base properties of nanocarbons by functionalization via amination.

PubMed

Arrigo, Rosa; Hävecker, Michael; Wrabetz, Sabine; Blume, Raoul; Lerch, Martin; McGregor, James; Parrott, Edward P J; Zeitler, J Axel; Gladden, Lynn F; Knop-Gericke, Axel; Schlögl, Robert; Su, Dang Sheng

2010-07-21

The surface chemical properties and the electronic properties of vapor grown carbon nanofibers (VGCNFs) have been modified by treatment of the oxidized CNFs with NH(3). The effect of treatment temperature on the types of nitrogen functionalities introduced was evaluated by synchrotron based X-ray photoelectron spectroscopy (XPS), while the impact of the preparation methods on the surface acid-base properties was investigated by potentiometric titration, microcalorimetry, and zeta potential measurements. The impact of the N-functionalization on the electronic properties was measured by THz-Time Domain spectroscopy. The samples functionalized via amination are characterized by the coexistence of acidic and basic O and N sites. The population of O and N species is temperature dependent. In particular, at 873 K nitrogen is stabilized in substitutional positions within the graphitic structure, as heterocyclic-like moieties. The surface presents heterogeneously distributed and energetically different basic sites. A small amount of strong basic sites gives rise to a differential heat of CO(2) adsorption of 150 kJ mol(-1). However, when functionalization is carried out at 473 K, nitrogen moieties with basic character are introduced and the maximum heat of adsorption is significantly lower, at approximately 90 kJ mol(-1). In the latter sample, energetically different basic sites coexist with acidic oxygen groups introduced during the oxidative step. Under these conditions, a bifunctional acidic and basic surface is obtained with high hydrophilic character. N-functionalization carried out at higher temperature changes the electronic properties of the CNFs as evaluated by THz-TDS. The functionalization procedure presented in this work allows high versatility and flexibility in tailoring the surface chemistry of nanocarbon material to specific needs. This work shows the potential of the N-containing nanocarbon materials obtained via amination in catalysis as well as electronic device materials.

Optical and Electronic NOx Sensors for Applications in Mechatronics

PubMed Central

Di Franco, Cinzia; Elia, Angela; Spagnolo, Vincenzo; Scamarcio, Gaetano; Lugarà, Pietro Mario; Ieva, Eliana; Cioffi, Nicola; Torsi, Luisa; Bruno, Giovanni; Losurdo, Maria; Garcia, Michael A.; Wolter, Scott D.; Brown, April; Ricco, Mario

2009-01-01

Current production and emerging NOx sensors based on optical and nanomaterials technologies are reviewed. In view of their potential applications in mechatronics, we compared the performance of: i) Quantum cascade lasers (QCL) based photoacoustic (PA) systems; ii) gold nanoparticles as catalytically active materials in field-effect transistor (FET) sensors, and iii) functionalized III-V semiconductor based devices. QCL-based PA sensors for NOx show a detection limit in the sub part-per-million range and are characterized by high selectivity and compact set-up. Electrochemically synthesized gold-nanoparticle FET sensors are able to monitor NOx in a concentration range from 50 to 200 parts per million and are suitable for miniaturization. Porphyrin-functionalized III-V semiconductor materials can be used for the fabrication of a reliable NOx sensor platform characterized by high conductivity, corrosion resistance, and strong surface state coupling. PMID:22412315

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

PubMed Central

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

2016-01-01

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

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

PubMed

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

2015-05-28

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

Graphene-based organic-inorganic hybrids with optoelectronic and magneto-optic functions (Conference Presentation)

NASA Astrophysics Data System (ADS)

Lee, Kwang-Sup; Kim, Sung-Hyun; Jung, Juhyoung; Teng, Xue-Cheng; Prabhakaran, Prem

2017-02-01

Groups around the world are pursuing optoelctronic and magneto-optic properties of graphene-based materials since they hold a lot of promise for future technologies. Quantum dot (QD) decorated graphenic nanohybrids can be candidates for demonstrating energy transfer, while magnetic nanoparticles (MNPs) on graphene give rise to interesting electronic phenomena like magneto-optical effects. Graphene containing MNPs are also good candidates for exploring quantum-hall effect. In medicine these materials have demonstrated applications in bioimaging, drug delivery, photothermal treatment and magnetic resonance imaging. A majority of groups working on QD or MNPs have focused on chemical functionalization methods for making graphene-MNP nanohybrids. We have developed a set of small molecule as well as polymeric ligands for noncovalent self-assembly of nanoparticles on graphene. The ligands contain pyrene as an anchor group for graphene and also thiol or dipamine as anchor groups for QD or MNPs. In this presentation we discuss the synthesis and characterization of these materials and outline some early results regarding exploratory device fabrication involving these materials.

Decoupling the Effects of Mass Density and Hydrogen-, Oxygen-, and Aluminum-Based Defects on Optoelectronic Properties of Realistic Amorphous Alumina.

PubMed

Riffet, Vanessa; Vidal, Julien

2017-06-01

The search for functional materials is currently hindered by the difficulty to find significant correlation between constitutive properties of a material and its functional properties. In the case of amorphous materials, the diversity of local structures, chemical composition, impurities and mass densities makes such a connection difficult to be addressed. In this Letter, the relation between refractive index and composition has been investigated for amorphous AlO x materials, including nonstoichiometric AlO x , emphasizing the role of structural defects and the absence of effect of the band gap variation. It is found that the Newton-Drude (ND) relation predicts the refractive index from mass density with a rather high level of precision apart from some structures displaying structural defects. Our results show especially that O- and Al-based defects act as additive local disturbance in the vicinity of band gap, allowing us to decouple the mass density effects from defect effects (n = n[ND] + Δn defect ).

Non-biodegradable polymer particles for drug delivery: A new technology for "bio-active" restorative materials.

PubMed

Imazato, Satoshi; Kitagawa, Haruaki; Tsuboi, Ririko; Kitagawa, Ranna; Thongthai, Pasiree; Sasaki, Jun-Ichi

2017-09-26

To develop dental restorative materials with "bio-active" functions, addition of the capability to release active agents is an effective approach. However, such functionality needs to be attained without compromising the basic properties of the restorative materials. We have developed novel non-biodegradable polymer particles for drug delivery, aimed for application in dental resins. The particles are made using 2-hydroxyethyl methacrylate (HEMA) and a cross-linking monomer trimethylolpropane trimethacrylate (TMPT), with a hydrophilic nature to adsorb proteins or water-soluble antimicrobials. The polyHEMA/TMPT particles work as a reservoir to release fibroblast growth factor-2 (FGF-2) or cetylpyridinium chloride (CPC) in an effective manner. Application of the polyHEMA/TMPT particles loaded with FGF-2 to adhesives, or those loaded with CPC to resin-based endodontic sealers or denture bases/crowns is a promising approach to increase the success of the treatments by conferring "bio-active" properties to these materials to induce tissue regeneration or to inhibit bacterial infection.

Recent advances in degradable lactide-based shape-memory polymers.

PubMed

Balk, Maria; Behl, Marc; Wischke, Christian; Zotzmann, Jörg; Lendlein, Andreas

2016-12-15

Biodegradable polymers are versatile polymeric materials that have a high potential in biomedical applications avoiding subsequent surgeries to remove, for example, an implanted device. In the past decade, significant advances have been achieved with poly(lactide acid) (PLA)-based materials, as they can be equipped with an additional functionality, that is, a shape-memory effect (SME). Shape-memory polymers (SMPs) can switch their shape in a predefined manner upon application of a specific external stimulus. Accordingly, SMPs have a high potential for applications ranging from electronic engineering, textiles, aerospace, and energy to biomedical and drug delivery fields based on the perspectives of new capabilities arising with such materials in biomedicine. This study summarizes the progress in SMPs with a particular focus on PLA, illustrates the design of suitable homo- and copolymer structures as well as the link between the (co)polymer structure and switching functionality, and describes recent advantages in the implementation of novel switching phenomena into SMP technology. Copyright © 2016 Elsevier B.V. All rights reserved.

Room temperature organic magnets derived from sp3 functionalized graphene.

PubMed

Tuček, Jiří; Holá, Kateřina; Bourlinos, Athanasios B; Błoński, Piotr; Bakandritsos, Aristides; Ugolotti, Juri; Dubecký, Matúš; Karlický, František; Ranc, Václav; Čépe, Klára; Otyepka, Michal; Zbořil, Radek

2017-02-20

Materials based on metallic elements that have d orbitals and exhibit room temperature magnetism have been known for centuries and applied in a huge range of technologies. Development of room temperature carbon magnets containing exclusively sp orbitals is viewed as great challenge in chemistry, physics, spintronics and materials science. Here we describe a series of room temperature organic magnets prepared by a simple and controllable route based on the substitution of fluorine atoms in fluorographene with hydroxyl groups. Depending on the chemical composition (an F/OH ratio) and sp 3 coverage, these new graphene derivatives show room temperature antiferromagnetic ordering, which has never been observed for any sp-based materials. Such 2D magnets undergo a transition to a ferromagnetic state at low temperatures, showing an extraordinarily high magnetic moment. The developed theoretical model addresses the origin of the room temperature magnetism in terms of sp 2 -conjugated diradical motifs embedded in an sp 3 matrix and superexchange interactions via -OH functionalization.

Dopamine-assisted co-deposition: An emerging and promising strategy for surface modification.

PubMed

Qiu, Wen-Ze; Yang, Hao-Cheng; Xu, Zhi-Kang

2018-04-27

Mussel-inspired chemistry based on polydopamine (PDA) deposition has been developed as a facile and universal method for the surface modification of various materials. However, the inherent shortcomings of PDA coatings still impede their practical applications in the development of functional materials. In this review, we introduce the recent progress in the emerging dopamine-assisted co-deposition as a one-step strategy for functionalizing PDA-based coatings, and improving them in the aspects of deposition rate, morphology uniformity, surface wettability and chemical stability. The co-deposition mechanisms are categorized and discussed according to the interactions of dopamine or PDA with the introduced co-component. We also emphasize the influence of these interactions on the properties of the resultant PDA-based coatings. Meanwhile, we conclude the representative potential applications of those dopamine-assisted co-deposited coatings in material science, especially including separation membranes and biomaterials. Finally, some important issues and perspectives for theoretical study and applications are briefly discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

Room temperature organic magnets derived from sp3 functionalized graphene

PubMed Central

Tuček, Jiří; Holá, Kateřina; Bourlinos, Athanasios B.; Błoński, Piotr; Bakandritsos, Aristides; Ugolotti, Juri; Dubecký, Matúš; Karlický, František; Ranc, Václav; Čépe, Klára; Otyepka, Michal; Zbořil, Radek

2017-01-01

Materials based on metallic elements that have d orbitals and exhibit room temperature magnetism have been known for centuries and applied in a huge range of technologies. Development of room temperature carbon magnets containing exclusively sp orbitals is viewed as great challenge in chemistry, physics, spintronics and materials science. Here we describe a series of room temperature organic magnets prepared by a simple and controllable route based on the substitution of fluorine atoms in fluorographene with hydroxyl groups. Depending on the chemical composition (an F/OH ratio) and sp3 coverage, these new graphene derivatives show room temperature antiferromagnetic ordering, which has never been observed for any sp-based materials. Such 2D magnets undergo a transition to a ferromagnetic state at low temperatures, showing an extraordinarily high magnetic moment. The developed theoretical model addresses the origin of the room temperature magnetism in terms of sp2-conjugated diradical motifs embedded in an sp3 matrix and superexchange interactions via –OH functionalization. PMID:28216636

Graphene Emerges as a Versatile Template for Materials Preparation.

PubMed

Li, Zhengjie; Wu, Sida; Lv, Wei; Shao, Jiao-Jing; Kang, Feiyu; Yang, Quan-Hong

2016-05-01

Graphene and its derivatives are emerging as a class of novel but versatile templates for the controlled preparation and functionalization of materials. In this paper a conceptual review on graphene-based templates is given, highlighting their versatile roles in materials preparation. Graphene is capable of acting as a low-dimensional hard template, where its two-dimensional morphology directs the formation of novel nanostructures. Graphene oxide and other functionalized graphenes are amphiphilic and may be seen as soft templates for formatting the growth or inducing the controlled assembly of nanostructures. In addition, nanospaces in restacked graphene can be used for confining the growth of sheet-like nanostructures, and assemblies of interlinked graphenes can behave either as skeletons for the formation of composite materials or as sacrificial templates for novel materials with a controlled network structure. In summary, flexible graphene and its derivatives together with an increasing number of assembled structures show great potentials as templates for materials production. Many challenges remain, for example precise structural control of such novel templates and the removal of the non-functional remaining templates. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Delignified and Densified Cellulose Bulk Materials with Excellent Tensile Properties for Sustainable Engineering.

PubMed

Frey, Marion; Widner, Daniel; Segmehl, Jana S; Casdorff, Kirstin; Keplinger, Tobias; Burgert, Ingo

2018-02-07

Today's materials research aims at excellent mechanical performance in combination with advanced functionality. In this regard, great progress has been made in tailoring the materials by assembly processes in bottom-up approaches. In the field of wood-derived materials, nanocellulose research has gained increasing attention, and materials with advanced properties were developed. However, there are still unresolved issues concerning upscaling for large-scale applications. Alternatively, the sophisticated hierarchical scaffold of wood can be utilized in a top-down approach to upscale functionalization, and one can profit at the same time from its renewable nature, CO 2 storing capacity, light weight, and good mechanical performance. Nevertheless, for bulk wood materials, a wider multipurpose industrial use is so far impeded by concerns regarding durability, natural heterogeneity as well as limitations in terms of functionalization, processing, and shaping. Here, we present a novel cellulose bulk material concept based on delignification and densification of wood resulting in a high-performance material. A delignification process using hydrogen peroxide and acetic acid was optimized to delignify the entire bulk wooden blocks and to retain the highly beneficial structural directionality of wood. In a subsequent step, these cellulosic blocks were densified in a process combining compression and lateral shear to gain a very compact cellulosic material with entangled fibers while retaining unidirectional fiber orientation. The cellulose bulk materials obtained by different densification protocols were structurally, chemically, and mechanically characterized revealing superior tensile properties compared to native wood. Furthermore, after delignification, the cellulose bulk material can be easily formed into different shapes, and the delignification facilitates functionalization of the bioscaffold.

Graphene-based materials for energy conversion.

PubMed

Sahoo, Nanda Gopal; Pan, Yongzheng; Li, Lin; Chan, Siew Hwa

2012-08-08

With the depletion of conventional energy sources, the demand for renewable energy and energy-efficient devices continues to grow. As a novel 2D nanomaterial, graphene attracts considerable research interest due to its unique properties and is a promising material for applications in energy conversion and storage devices. Recently, the fabrication of fuel cells and solar cells using graphene for various functional parts has been studied extensively. This research news summarizes and compares the advancements that have been made and are in progress in the utilization of graphene-based materials for energy conversion.

Programming 2D/3D shape-shifting with hobbyist 3D printers† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7mh00269f

PubMed Central

van Manen, Teunis; Janbaz, Shahram

2017-01-01

Materials and devices with advanced functionalities often need to combine complex 3D shapes with functionality-inducing surface features. Precisely controlled bio-nanopatterns, printed electronic components, and sensors/actuators are all examples of such surface features. However, the vast majority of the refined technologies that are currently available for creating functional surface features work only on flat surfaces. Here we present initially flat constructs that upon triggering by high temperatures change their shape to a pre-programmed 3D shape, thereby enabling the combination of surface-related functionalities with complex 3D shapes. A number of shape-shifting materials have been proposed during the last few years based on various types of advanced technologies. The proposed techniques often require multiple fabrication steps and special materials, while being limited in terms of the 3D shapes they could achieve. The approach presented here is a single-step printing process that requires only a hobbyist 3D printer and inexpensive off-the-shelf materials. It also lends itself to a host of design strategies based on self-folding origami, instability-driven pop-up, and ‘sequential’ shape-shifting to unprecedentedly expand the space of achievable 3D shapes. This combination of simplicity and versatility is a key to widespread applications. PMID:29308207

Sticky Situation: An Investigation of Robust Aqueous-Based Recombinant Spider Silk Protein Coatings and Adhesives.

PubMed

Harris, Thomas I; Gaztambide, Danielle A; Day, Breton A; Brock, Cameron L; Ruben, Ashley L; Jones, Justin A; Lewis, Randolph V

2016-11-14

The mechanical properties and biocompatibility of spider silks have made them one of the most sought after and studied natural biomaterials. A biomimetic process has been developed that uses water to solvate purified recombinant spider silk proteins (rSSps) prior to material formation. The absence of harsh organic solvents increases cost effectiveness, safety, and decreases the environmental impact of these materials. This development allows for the investigation of aqueous-based rSSps as coatings and adhesives and their potential applications. In these studies it was determined that fiber-based rSSps in nonfiber formations have the capability to coat and adhere numerous substrates, whether rough, smooth, hydrophobic, or hydrophilic. Further, these materials can be functionalized for a variety of processes. Drug-eluting coatings have been made with the capacity to release a variety of compounds in addition to their inherent ability to prevent blood clotting and biofouling. Additionally, spider silk protein adhesives are strong enough to outperform some conventional glues and still display favorable tissue implantation properties. The physical properties, corresponding capabilities, and potential applications of these nonfibrous materials were characterized in this study. Mechanical properties, ease of manufacturing, biodegradability, biocompatibility, and functionality are the hallmarks of these revolutionary spider silk protein materials.

Intrinsic Instability of Cs2In(I)M(III)X6 (M = Bi, Sb; X = Halogen) Double Perovskites: A Combined Density Functional Theory and Experimental Study.

PubMed

Xiao, Zewen; Du, Ke-Zhao; Meng, Weiwei; Wang, Jianbo; Mitzi, David B; Yan, Yanfa

2017-05-03

Recently, there has been substantial interest in developing double-B-cation halide perovskites, which hold the potential to overcome the toxicity and instability issues inherent within emerging lead halide-based solar absorber materials. Among all double perovskites investigated, In(I)-based Cs 2 InBiCl 6 and Cs 2 InSbCl 6 have been proposed as promising thin-film photovoltaic absorber candidates, with computational examination predicting suitable materials properties, including direct bandgap and small effective masses for both electrons and holes. In this study, we report the intrinsic instability of Cs 2 In(I)M(III)X 6 (M = Bi, Sb; X = halogen) double perovskites by a combination of density functional theory and experimental study. Our results suggest that the In(I)-based double perovskites are unstable against oxidation into In(III)-based compounds. Further, the results show the need to consider reduction-oxidation (redox) chemistry when predicting stability of new prospective electronic materials, especially when less common oxidation states are involved.

New photosensitive systems for volume phase holography

NASA Astrophysics Data System (ADS)

Bianco, Andrea; Colella, Letizia; Galli, Paola; Zanutta, Alessio; Bertarelli, Chiara

2017-05-01

Volume phase holographic elements are becoming attractive thanks to the large efficiency and good optical quality. They are based on photosensitive materials where a modulation of the refractive index is induced. In this paper, we highlight the strategies to obtain a change in the refractive index in a dielectric material, namely a change in the material density and/or in the molecular polarizability. Moreover, we show the results achieved for materials that undergo the photo-Fries reaction as function of the molecular structure and the illumination conditions. We also report the results on a system based on the diazo Meldrum's acid where volatile molecules are produced upon light exposure.

Sequential interpenetrating polymer networks produced from vegetable oil based polyurethane and poly(methyl methacrylate).

PubMed

Kong, Xiaohua; Narine, Suresh S

2008-08-01

Sequential interpenetrating polymer networks (IPNs) were prepared using polyurethane produced from a canola oil based polyol with primary terminal functional groups and poly(methyl methacrylate) (PMMA). The properties of the material were studied and compared to the IPNs made from commercial castor oil using dynamic mechanical analysis, differential scanning calorimetry, as well as tensile measurements. The morphology of the IPNs was investigated using scanning electron microscopy and transmission electron microscopy. The chemical diversity of the starting materials allowed the evaluation of the effects of dangling chains and graftings on the properties of the IPNs. The polymerization process of canola oil based IPNs was accelerated because of the utilization of polyol with primary functional groups, which efficiently lessened the effect of dangling chains and yielded a higher degree of phase mixing. The mechanical properties of canola oil based IPNs containing more than 75 wt % PMMA were comparable to the corresponding castor oil based IPNs; both were superior to those of the constituent polymers due to the finely divided rubber and plastic combination structures in these IPNs. However, when PMMA content was less than 65 wt %, canola oil based IPNs exhibited a typical mechanical behavior of rigid plastics, whereas castor oil based IPNs showed a typical mechanical behavior of soft rubber. It is proposed that these new IPN materials with high performance prepared from alternative renewable resources can prove to be valuable substitutes for existing materials in various applications.

Effects of computer-based training on procedural modifications to standard functional analyses.

PubMed

Schnell, Lauren K; Sidener, Tina M; DeBar, Ruth M; Vladescu, Jason C; Kahng, SungWoo

2018-01-01

Few studies have evaluated methods for training decision-making when functional analysis data are undifferentiated. The current study evaluated computer-based training to teach 20 graduate students to arrange functional analysis conditions, analyze functional analysis data, and implement procedural modifications. Participants were exposed to training materials using interactive software during a 1-day session. Following the training, mean scores on the posttest, novel cases probe, and maintenance probe increased for all participants. These results replicate previous findings during a 1-day session and include a measure of participant acceptability of the training. Recommendations for future research on computer-based training and functional analysis are discussed. © 2017 Society for the Experimental Analysis of Behavior.

A new approach for beam hardening correction based on the local spectrum distributions

NASA Astrophysics Data System (ADS)

Rasoulpour, Naser; Kamali-Asl, Alireza; Hemmati, Hamidreza

2015-09-01

Energy dependence of material absorption and polychromatic nature of x-ray beams in the Computed Tomography (CT) causes a phenomenon which called "beam hardening". The purpose of this study is to provide a novel approach for Beam Hardening (BH) correction. This approach is based on the linear attenuation coefficients of Local Spectrum Distributions (LSDs) in the various depths of a phantom. The proposed method includes two steps. Firstly, the hardened spectra in various depths of the phantom (or LSDs) are estimated based on the Expectation Maximization (EM) algorithm for arbitrary thickness interval of known materials in the phantom. The performance of LSD estimation technique is evaluated by applying random Gaussian noise to transmission data. Then, the linear attenuation coefficients with regarding to the mean energy of LSDs are obtained. Secondly, a correction function based on the calculated attenuation coefficients is derived in order to correct polychromatic raw data. Since a correction function has been used for the conversion of the polychromatic data to the monochromatic data, the effect of BH in proposed reconstruction must be reduced in comparison with polychromatic reconstruction. The proposed approach has been assessed in the phantoms which involve less than two materials, but the correction function has been extended for using in the constructed phantoms with more than two materials. The relative mean energy difference in the LSDs estimations based on the noise-free transmission data was less than 1.5%. Also, it shows an acceptable value when a random Gaussian noise is applied to the transmission data. The amount of cupping artifact in the proposed reconstruction method has been effectively reduced and proposed reconstruction profile is uniform more than polychromatic reconstruction profile.

Higher-Order Theory: Structural/MicroAnalysis Code (HOTSMAC) Developed

NASA Technical Reports Server (NTRS)

Arnold, Steven M.

2002-01-01

The full utilization of advanced materials (be they composite or functionally graded materials) in lightweight aerospace components requires the availability of accurate analysis, design, and life-prediction tools that enable the assessment of component and material performance and reliability. Recently, a new commercially available software product called HOTSMAC (Higher-Order Theory--Structural/MicroAnalysis Code) was jointly developed by Collier Research Corporation, Engineered Materials Concepts LLC, and the NASA Glenn Research Center under funding provided by Glenn's Commercial Technology Office. The analytical framework for HOTSMAC is based on almost a decade of research into the coupled micromacrostructural analysis of heterogeneous materials. Consequently, HOTSMAC offers a comprehensive approach for analyzing/designing the response of components with various microstructural details, including certain advantages not always available in standard displacement-based finite element analysis techniques. The capabilities of HOTSMAC include combined thermal and mechanical analysis, time-independent and time-dependent material behavior, and internal boundary cells (e.g., those that can be used to represent internal cooling passages, see the preceding figure) to name a few. In HOTSMAC problems, materials can be randomly distributed and/or functionally graded (as shown in the figure, wherein the inclusions are distributed linearly), or broken down by strata, such as in the case of thermal barrier coatings or composite laminates.

Functional materials based on carbon nanotubes: Carbon nanotube actuators and noncovalent carbon nanotube modification

NASA Astrophysics Data System (ADS)

Fifield, Leonard S.

Carbon nanotubes have attractive inherent properties that encourage the development of new functional materials and devices based on them. The use of single wall carbon nanotubes as electromechanical actuators takes advantage of the high mechanical strength, surface area and electrical conductivity intrinsic to these molecules. The work presented here investigates the mechanisms that have been discovered for actuation of carbon nanotube paper: electrostatic, quantum chemical charge injection, pneumatic and viscoelastic. A home-built apparatus for the measurement of actuation strain is developed and utilized in the investigation. An optical fiber switch, the first demonstrated macro-scale device based on the actuation of carbon nanotubes, is described and its performance evaluated. Also presented here is a new general process designed to modify the surface of carbon nanotubes in a non-covalent, non-destructive way. This method can be used to impart new functionalities to carbon nanotube samples for a variety of applications including sensing, solar energy conversion and chemical separation. The process described involves the achievement of large degrees of graphitic surface coverage with polycyclic aromatic hydrocarbons through the use of supercritical fluids. These molecules are bifunctional agents that anchor a desired chemical group to the aromatic surface of the carbon nanotubes without adversely disrupting the conjugated backbone that gives rise the attractive electronic and physical properties of the nanotubes. Both the nanotube functionalization work and the actuator work presented here emphasize how an understanding and control of nanoscale structure and phenomena can be of vital importance in achieving desired performance for active materials. Opportunities for new devices with improved function over current state-of-the-art can be envisioned and anticipated based on this understanding and control.

33 CFR 1.26-20 - Sales to eligible foreign governments.

Code of Federal Regulations, 2010 CFR

2010-07-01

... related functions. (b) Diplomatic transactions. Sales of Coast Guard material under reimbursable aid will... Operations. Reimbursable aid transactions are diplomatic transactions and are negotiated primarily between..., and the Office of the Chief of Naval Operations. Prices will be based on material cost only and...

Stress and Damage in Polymer Matrix Composite Materials Due to Material Degradation at High Temperatures

NASA Technical Reports Server (NTRS)

McManus, Hugh L.; Chamis, Christos C.

1996-01-01

This report describes analytical methods for calculating stresses and damage caused by degradation of the matrix constituent in polymer matrix composite materials. Laminate geometry, material properties, and matrix degradation states are specified as functions of position and time. Matrix shrinkage and property changes are modeled as functions of the degradation states. The model is incorporated into an existing composite mechanics computer code. Stresses, strains, and deformations at the laminate, ply, and micro levels are calculated, and from these calculations it is determined if there is failure of any kind. The rationale for the model (based on published experimental work) is presented, its integration into the laminate analysis code is outlined, and example results are given, with comparisons to existing material and structural data. The mechanisms behind the changes in properties and in surface cracking during long-term aging of polyimide matrix composites are clarified. High-temperature-material test methods are also evaluated.

Hybrid Materials Based on the Embedding of Organically Modified Transition Metal Oxoclusters or Polyoxometalates into Polymers for Functional Applications: A Review

PubMed Central

Carraro, Mauro; Gross, Silvia

2014-01-01

The covalent incorporation of inorganic building blocks into a polymer matrix to obtain stable and robust materials is a widely used concept in the field of organic-inorganic hybrid materials, and encompasses the use of different inorganic systems including (but not limited to) nanoparticles, mono- and polynuclear metal complexes and clusters, polyhedral oligomeric silsesquioxanes (POSS), polyoxometalates (POM), layered inorganic systems, inorganic fibers, and whiskers. In this paper, we will review the use of two particular kinds of structurally well-defined inorganic building blocks, namely transition metals oxoclusters (TMO) and polyoxometalates (POM), to obtain hybrid materials with enhanced functional (e.g., optical, dielectric, magnetic, catalytic) properties. PMID:28788659

Advanced characterization of lithium battery materials with positrons

NASA Astrophysics Data System (ADS)

Barbiellini, Bernardo; Kuriplach, Jan

2017-01-01

Cathode materials are crucial to improved battery performance, in part because there are not yet materials that can maintain high power and stable cycling with a capacity comparable to that of anode materials. Our parameter-free, gradient-corrected model for electron-positron correlations predicts that spectroscopies based on positron annihilation can be deployed to study the effect of lithium intercalation in the oxide matrix of the cathode. The positron characteristics in oxides can be reliably computed using methods based on first-principles. Thus, we can enable a fundamental characterization of lithium battery materials involving positron annihilation spectroscopy and first-principles calculations. The detailed information one can extract from positron experiments could be useful for understanding and optimizing both battery materials and bi-functional catalysts for oxygen reduction and evolution.

Tetrapeptide-coumarin conjugate 3D networks based on hydrogen-bonded charge transfer complexes: gel formation and dye release.

PubMed

Guo, Zongxia; Gong, Ruiying; Jiang, Yi; Wan, Xiaobo

2015-08-14

Oligopeptide-based derivatives are important synthons for bio-based functional materials. In this article, a Gly-(L-Val)-Gly-(L-Val)-coumarin (GVGV-Cou) conjugate was synthesized, which forms 3D networks in ethanol. The gel nanostructures were characterized by UV-vis spectroscopy, FT-IR spectroscopy, X-ray diffraction (XRD), SEM and TEM. It is suggested that the formation of charge transfer (CT) complexes between the coumarin moieties is the main driving force for the gel formation. The capability of the gel to encapsulate and release dyes was explored. Both Congo Red (CR) and Methylene Blue (MB) can be trapped in the CT gel matrix and released over time. The present gel might be used as a functional soft material for guest encapsulation and release.

Flexible mechanical metamaterials

NASA Astrophysics Data System (ADS)

Bertoldi, Katia; Vitelli, Vincenzo; Christensen, Johan; van Hecke, Martin

2017-11-01

Mechanical metamaterials exhibit properties and functionalities that cannot be realized in conventional materials. Originally, the field focused on achieving unusual (zero or negative) values for familiar mechanical parameters, such as density, Poisson's ratio or compressibility, but more recently, new classes of metamaterials — including shape-morphing, topological and nonlinear metamaterials — have emerged. These materials exhibit exotic functionalities, such as pattern and shape transformations in response to mechanical forces, unidirectional guiding of motion and waves, and reprogrammable stiffness or dissipation. In this Review, we identify the design principles leading to these properties and discuss, in particular, linear and mechanism-based metamaterials (such as origami-based and kirigami-based metamaterials), metamaterials harnessing instabilities and frustration, and topological metamaterials. We conclude by outlining future challenges for the design, creation and conceptualization of advanced mechanical metamaterials.

Supramolecular effects as driving force of dipyrrin based functional materials engineering

NASA Astrophysics Data System (ADS)

Banakova, E.; Bobrov, A.; Kazak, A.; Marfin, Yu; Merkushev, D.; Molchanov, E.; Rumyantsev, E.; Shipalova, M.; Usoltsev, S.; Vodyanova, O.

2018-01-01

Dipyrrin based luminophores are of major interest in different areas of chemistry, material science and molecular biology. Vast variety of the structures with dipyrrin motif were synthesized and investigated up to date. Modern trend in the dipyrrin chemistry is the aimed functionalization of the ligand or complex structure allowing to gain the mechanism based on supramolecular interactions for controlling spectral and photophysical characteristics of compounds for tuning practically valuable properties for specific tasks. Presented paper summarize the results of our research group, working in the field of dipyrrin complexes with p-elements: synthesis, spectral characteristics evaluation and possibilities of practical application investigation. Discussion is focused on the opportunities of molecules preorganization for achieving the supramolecular interactions causing the tuning of fluorescence of the compounds in solutions, polymeric matrices and thin films.

Starch as a feedstock for bioproducts and packaging

USDA-ARS?s Scientific Manuscript database

Much progress has been achieved in developing starch-based feedstocks as a partial replacement for petroleum-based feedstocks. Although starch remains a poor direct substitute for plastics, composite starch-based materials have useful functional properties and are in commercial production as a repla...

Revolutionizing orthopaedic biomaterials: The potential of biodegradable and bioresorbable magnesium-based materials for functional tissue engineering

PubMed Central

Farraro, Kathryn F.; Kim, Kwang E.; Woo, Savio L-Y.; Flowers, Jonquil R.; McCullough, Matthew B.

2014-01-01

In recent years, there has been a surge of interest in magnesium (Mg) and its alloys as biomaterials for orthopaedic applications, as they possess desirable mechanical properties, good biocompatibility, and biodegradability. Also shown to be osteoinductive, Mg-based materials could be particularly advantageous in functional tissue engineering to improve healing and serve as scaffolds for delivery of drugs, cells, and cytokines. In this paper, we will present two examples of Mg-based orthopaedic devices: an interference screw to accelerate ACL graft healing and a ring to aid in the healing of an injured ACL. In vitro tests using a robotic/UFS testing system showed that both devices could restore function of the goat stifle joint. Under a 67-N anterior tibial load, both the ACL graft fixed with the Mg-based interference screw and the Mg-based ring-repaired ACL could restore anterior tibial translation (ATT) to within 2 mm and 5 mm, respectively, of the intact joint at 301, 601, and 901 of flexion. In-situ forces in the replacement graft and Mg-based ring-repaired ACL were also similar to those of the intact ACL. Further, early in vivo data using the Mg-based interference screw showed that after 12 weeks, it was non-toxic and the joint stability and graft function reached similar levels as published data. Following these positive results, we will move forward in incorporating bioactive molecules and ECM bioscaffolds to these Mg-based biomaterials to test their potential for functional tissue engineering of musculoskeletal and other tissues. PMID:24373510

Revolutionizing orthopaedic biomaterials: The potential of biodegradable and bioresorbable magnesium-based materials for functional tissue engineering.

PubMed

Farraro, Kathryn F; Kim, Kwang E; Woo, Savio L-Y; Flowers, Jonquil R; McCullough, Matthew B

2014-06-27

In recent years, there has been a surge of interest in magnesium (Mg) and its alloys as biomaterials for orthopaedic applications, as they possess desirable mechanical properties, good biocompatibility, and biodegradability. Also shown to be osteoinductive, Mg-based materials could be particularly advantageous in functional tissue engineering to improve healing and serve as scaffolds for delivery of drugs, cells, and cytokines. In this paper, we will present two examples of Mg-based orthopaedic devices: an interference screw to accelerate ACL graft healing and a ring to aid in the healing of an injured ACL. In vitro tests using a robotic/UFS testing system showed that both devices could restore function of the goat stifle joint. Under a 67-N anterior tibial load, both the ACL graft fixed with the Mg-based interference screw and the Mg-based ring-repaired ACL could restore anterior tibial translation (ATT) to within 2mm and 5mm, respectively, of the intact joint at 30°, 60°, and 90° of flexion. In-situ forces in the replacement graft and Mg-based ring-repaired ACL were also similar to those of the intact ACL. Further, early in vivo data using the Mg-based interference screw showed that after 12 weeks, it was non-toxic and the joint stability and graft function reached similar levels as published data. Following these positive results, we will move forward in incorporating bioactive molecules and ECM bioscaffolds to these Mg-based biomaterials to test their potential for functional tissue engineering of musculoskeletal and other tissues. © 2013 Published by Elsevier Ltd.

Design of Bioinorganic Materials at the Interface of Coordination and Biosupramolecular Chemistry.

PubMed

Maity, Basudev; Ueno, Takafumi

2017-04-01

Protein assemblies have recently become known as potential molecular scaffolds for applications in materials science and bio-nanotechnology. Efforts to design protein assemblies for construction of protein-based hybrid materials with metal ions, metal complexes, nanomaterials and proteins now represent a growing field with a common aim of providing novel functions and mimicking natural functions. However, the important roles of protein assemblies in coordination and biosupramolecular chemistry have not been systematically investigated and characterized. In this personal account, we focus on our recent progress in rational design of protein assemblies using bioinorganic chemistry for (1) exploration of unnatural reactions, (2) construction of functional protein architectures, and (3) in vivo applications. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

VUV thin films, chapter 7

NASA Technical Reports Server (NTRS)

Zukic, Muamer; Torr, Douglas G.

1993-01-01

The application of thin film technology to the vacuum ultraviolet (VUV) wavelength region from 120 nm to 230 nm has not been fully exploited in the past because of absorption effects which complicate the accurate determination of the optical functions of dielectric materials. The problem therefore reduces to that of determining the real and imaginary parts of a complex optical function, namely the frequency dependent refractive index n and extinction coefficient k. We discuss techniques for the inverse retrieval of n and k for dielectric materials at VUV wavelengths from measurements of their reflectance and transmittance. Suitable substrate and film materials are identified for application in the VUV. Such applications include coatings for the fabrication of narrow and broadband filters and beamsplitters. The availability of such devices open the VUV regime to high resolution photometry, interferometry and polarimetry both for space based and laboratory applications. This chapter deals with the optics of absorbing multilayers, the determination of the optical functions for several useful materials, and the design of VUV multilayer stacks as applied to the design of narrow and broadband reflection and transmission filters and beamsplitters. Experimental techniques are discussed briefly, and several examples of the optical functions derived for selected materials are presented.

The time dependence of rock healing as a universal relaxation process, a tutorial

NASA Astrophysics Data System (ADS)

Snieder, Roel; Sens-Schönfelder, Christoph; Wu, Renjie

2017-01-01

The material properties of earth materials often change after the material has been perturbed (slow dynamics). For example, the seismic velocity of subsurface materials changes after earthquakes, and granular materials compact after being shaken. Such relaxation processes are associated by observables that change logarithmically with time. Since the logarithm diverges for short and long times, the relaxation can, strictly speaking, not have a log-time dependence. We present a self-contained description of a relaxation function that consists of a superposition of decaying exponentials that has log-time behaviour for intermediate times, but converges to zero for long times, and is finite for t = 0. The relaxation function depends on two parameters, the minimum and maximum relaxation time. These parameters can, in principle, be extracted from the observed relaxation. As an example, we present a crude model of a fracture that is closing under an external stress. Although the fracture model violates some of the assumptions on which the relaxation function is based, it follows the relaxation function well. We provide qualitative arguments that the relaxation process, just like the Gutenberg-Richter law, is applicable to a wide range of systems and has universal properties.

π-π stacking tackled with density functional theory

PubMed Central

Swart, Marcel; van der Wijst, Tushar; Fonseca Guerra, Célia

2007-01-01

Through comparison with ab initio reference data, we have evaluated the performance of various density functionals for describing π-π interactions as a function of the geometry between two stacked benzenes or benzene analogs, between two stacked DNA bases, and between two stacked Watson–Crick pairs. Our main purpose is to find a robust and computationally efficient density functional to be used specifically and only for describing π-π stacking interactions in DNA and other biological molecules in the framework of our recently developed QM/QM approach "QUILD". In line with previous studies, most standard density functionals recover, at best, only part of the favorable stacking interactions. An exception is the new KT1 functional, which correctly yields bound π-stacked structures. Surprisingly, a similarly good performance is achieved with the computationally very robust and efficient local density approximation (LDA). Furthermore, we show that classical electrostatic interactions determine the shape and depth of the π-π stacking potential energy surface. Figure Additivity approximation for the π-π interaction between two stacked Watson–Crick base pairs in terms of pairwise interactions between individual bases Electronic supplementary material The online version of this article (doi:10.1007/s00894-007-0239-y) contains supplementary material, which is available to authorized users. PMID:17874150

Persistent free radicals in carbon-based materials on transformation of refractory organic contaminants (ROCs) in water: A critical review.

PubMed

Qin, Yaxin; Li, Guiying; Gao, Yanpeng; Zhang, Lizhi; Ok, Yong Sik; An, Taicheng

2018-06-15

With the increased concentrations and kinds of refractory organic contaminants (ROCs) in aquatic environments, many previous reviews systematically summarized the applications of carbon-based materials in the adsorption and catalytic degradation of ROCs for their economically viable and environmentally friendly behavior. Interestingly, recent studies indicated that carbon-based materials in natural environment can also mediate the transformation of ROCs directly or indirectly due to their abundant persistent free radicals (PFRs). Understanding the formation mechanisms of PFRs in carbo-based materials and their interactions with ROCs is essential to develop their further applications in environment remediation. However, there is no comprehensive review so far about the direct and indirect removal of ROCs mediated by PFRs in amorphous, porous and crystalline carbon-based materials. The review aims to evaluate the formation mechanisms of PFRs in carbon-based materials synthesized through pyrolysis and hydrothermal carbonization processes. The influence of synthesis conditions (temperature and time) and carbon sources on the types as well as the concentrations of PFRs in carbon-based materials are also discussed. In particular, the effects of metals on the concentrations and types of PFRs in carbon-based materials are highlighted because they are considered as the catalysts for the formation of PFRs. The formation mechanisms of reactive species and the further transformation mechanisms of ROCs are briefly summarized, and the surface properties of carbon-based materials including surface area, types and number of functional groups, etc. are found to be the key parameters controlling their activities. However, due to diversity and complexity of carbon-based materials, the exact relationships between the activities of carbon-based materials and PFRs are still uncertain. Finally, the existing problems and current challenges for the ROCs transformation with carbon-based materials are also pointed out. Copyright © 2018 Elsevier Ltd. All rights reserved.

Melt infiltration: an emerging technique for the preparation of novel functional nanostructured materials.

PubMed

de Jongh, Petra E; Eggenhuisen, Tamara M

2013-12-10

The rapidly expanding toolbox for design and preparation is a major driving force for the advances in nanomaterials science and technology. Melt infiltration originates from the field of ceramic nanomaterials and is based on the infiltration of porous matrices with the melt of an active phase or precursor. In recent years, it has become a technique for the preparation of advanced materials: nanocomposites, pore-confined nanoparticles, ordered mesoporous and nanostructured materials. Although certain restrictions apply, mostly related to the melting behavior of the infiltrate and its interaction with the matrix, this review illustrates that it is applicable to a wide range of materials, including metals, polymers, ceramics, and metal hydrides and oxides. Melt infiltration provides an alternative to classical gas-phase and solution-based preparation methods, facilitating in several cases extended control over the nanostructure of the materials. This review starts with a concise discussion on the physical and chemical principles for melt infiltration, and the practical aspects. In the second part of this contribution, specific examples are discussed of nanostructured functional materials with applications in energy storage and conversion, catalysis, and as optical and structural materials and emerging materials with interesting new physical and chemical properties. Melt infiltration is a useful preparation route for material scientists from different fields, and we hope this review may inspire the search and discovery of novel nanostructured materials. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High-resolution nanopatterning of biodegradable polylactide by thermal nanoimprint lithography using gas permeable mold

NASA Astrophysics Data System (ADS)

Takei, Satoshi; Hanabata, Makoto

2017-03-01

We report high-resolution (150 nm) nanopatterning of biodegradable polylactide by thermal nanoimprint lithography using dichloromethane as a volatile solvent for improving the liquidity and a porous cyclodextrin-based gas-permeable mold. This study demonstrates the high-resolution patterning of polylactic acid and other non-liquid functional materials with poor fluidity by thermal nanoimprinting. Such a patterning is expected to expand the utility of thermal nanoimprint lithography and fabricate non-liquid functional materials suitable for eco-friendly and biomedical applications.

Computational evidence for stable inorganic fullerene-like structures of ceramic and semiconductor materials

NASA Astrophysics Data System (ADS)

Chang, Ch; Patzer, A. B. C.; Sedlmayr, E.; Steinke, T.; Sülzle, D.

2001-12-01

Theoretical electronic structure techniques have become an indispensible and powerful means for predicting molecular properties and designing new materials. Based on a density functional approach and guided by geometric considerations we provide evidence for some specific inorganic fullerene-like cage molecules of ceramic and semiconductor materials which exhibit high energetic stability and point group symmetry as well as nearly perfect spherical shape.

Magneto-Sensitive Adsorbents Modified by Functional Nitrogen-Containing Groups

NASA Astrophysics Data System (ADS)

Melnyk, Inna V.; Gdula, Karolina; Dąbrowski, Andrzej; Zub, Yuriy L.

2016-02-01

In order to obtain amino-functionalized silica materials with magnetic core, one-step synthesis was carried out. Several materials, differ in number and structure of amino groups, were synthesized on the basis of sol-gel method. The synthesized materials were examined by several analytical techniques. The presence and content of amino groups were measured by using Diffuse Reflectance Infrared Fourier Transform (DRIFT) spectroscopy and acid-base titration, respectively. Specific surface areas were measured by nitrogen/adsorption desorption isotherms. It was proved that sol-gel approach leads to obtain materials with high content of amino groups built into their surfaces (in the range 1.6-2.7 mmol/g). As-obtained materials were tested as potential adsorbents for copper(II) ions. The received maximum adsorption capacities were in the range 0.4-0.7 mmol/g.

Impact of Multifunctional Bimetallic Materials on Lithium Battery Electrochemistry

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

Durham, Jessica L.; Poyraz, Altug S.; Takeuchi, Esther S.

Electric energy storage devices such as batteries are complex systems comprised of a variety of materials with each playing separate yet interactive roles, complicated by length scale interactions occurring from the molecular to the mesoscale. Thus, addressing specific battery issues such as functional capacity requires a comprehensive perspective initiating with atomic level concepts. For example, the electroactive materials which contribute to the functional capacity in a battery comprise approximately 30% or less of the total device mass. Thus, the design and implementation of multifunctional materials can conceptually reduce or eliminate the contribution of passive materials to the size and massmore » of the final system. Material multi-functionality can be achieved through appropriate material design on the atomic level resulting in bimetallic electroactive materials where one metal cation forms mesoscale conductive networks upon discharge while the other metal cation can contribute to atomic level structure and net functional secondary capacity, a device level issue. Specifically, this Account provides insight into the multi-mechanism electrochemical redox processes of bimetallic cathode materials based on transition metal oxides (MM’O) or phosphorous oxides (MM’PO) where M = Ag and M’ = V or Fe. One discharge process can be described as reduction-displacement where Ag + is reduced to Ag 0 and displaced from the parent structure. This reduction-displacement reaction in silver-containing bimetallic electrodes allows for the in-situ formation of a conductive network, enhancing the electrochemical performance of the electrode and reducing or eliminating the need for conductive additives. A second discharge process occurs through the reduction of the second transition metal, V or Fe, where the oxidation state of the metal center is reduced and lithium cations are inserted into the structure. As both metal centers contribute to the functional capacity, determining the kinetically and thermodynamically preferred reduction processes at various states of discharge is critical to elucidating the mechanism. Specific advanced in-situ and ex-situ characterization techniques are conducive to gaining insight regarding the electrochemical behavior of these multifunctional materials over multiple length scales. At the material level, optical microscopy, scanning electron microscopy, and local conductivity measurement via a nanoprobe can track the discharge mechanism of an isolated single particle. At the mesoscale electrode level, in-situ data from synchrotron based energy dispersive X-ray diffraction (EDXRD) within fully intact steel batteries can be used to spatially map the distribution of silver metal generated through reduction displacement as a function of discharge depth and discharge rate. As illustrated here, appropriate design of materials with multiple electrochemically active metal centers and properties tuned through strategically conceptualized materials synthesis may provide a path toward the next generation of high energy content electroactive materials and systems. In conclusion, full understanding of the multiple electrochemical mechanisms can be achieved only by utilizing advanced characterization tools over multiple length scales.« less

Impact of Multifunctional Bimetallic Materials on Lithium Battery Electrochemistry

DOE PAGES

Durham, Jessica L.; Poyraz, Altug S.; Takeuchi, Esther S.; ...

2016-08-26

Electric energy storage devices such as batteries are complex systems comprised of a variety of materials with each playing separate yet interactive roles, complicated by length scale interactions occurring from the molecular to the mesoscale. Thus, addressing specific battery issues such as functional capacity requires a comprehensive perspective initiating with atomic level concepts. For example, the electroactive materials which contribute to the functional capacity in a battery comprise approximately 30% or less of the total device mass. Thus, the design and implementation of multifunctional materials can conceptually reduce or eliminate the contribution of passive materials to the size and massmore » of the final system. Material multi-functionality can be achieved through appropriate material design on the atomic level resulting in bimetallic electroactive materials where one metal cation forms mesoscale conductive networks upon discharge while the other metal cation can contribute to atomic level structure and net functional secondary capacity, a device level issue. Specifically, this Account provides insight into the multi-mechanism electrochemical redox processes of bimetallic cathode materials based on transition metal oxides (MM’O) or phosphorous oxides (MM’PO) where M = Ag and M’ = V or Fe. One discharge process can be described as reduction-displacement where Ag + is reduced to Ag 0 and displaced from the parent structure. This reduction-displacement reaction in silver-containing bimetallic electrodes allows for the in-situ formation of a conductive network, enhancing the electrochemical performance of the electrode and reducing or eliminating the need for conductive additives. A second discharge process occurs through the reduction of the second transition metal, V or Fe, where the oxidation state of the metal center is reduced and lithium cations are inserted into the structure. As both metal centers contribute to the functional capacity, determining the kinetically and thermodynamically preferred reduction processes at various states of discharge is critical to elucidating the mechanism. Specific advanced in-situ and ex-situ characterization techniques are conducive to gaining insight regarding the electrochemical behavior of these multifunctional materials over multiple length scales. At the material level, optical microscopy, scanning electron microscopy, and local conductivity measurement via a nanoprobe can track the discharge mechanism of an isolated single particle. At the mesoscale electrode level, in-situ data from synchrotron based energy dispersive X-ray diffraction (EDXRD) within fully intact steel batteries can be used to spatially map the distribution of silver metal generated through reduction displacement as a function of discharge depth and discharge rate. As illustrated here, appropriate design of materials with multiple electrochemically active metal centers and properties tuned through strategically conceptualized materials synthesis may provide a path toward the next generation of high energy content electroactive materials and systems. In conclusion, full understanding of the multiple electrochemical mechanisms can be achieved only by utilizing advanced characterization tools over multiple length scales.« less

Transversely Isotropic Hyperelastic Constitutive Model of Short Fiber Reinforced EPDM Based on Tensor Function

NASA Astrophysics Data System (ADS)

Feng, Q. L.; Li, C.; Liao, Y. F.

2017-12-01

Short fiber reinforced EPDM is a new kind of composite material used in solid rocket motor winding and coating. It has relatively large deformation under the small stress condition, and the physical non-linear characteristic is obvious. Due to the addition of fiber in the specific direction of the rubber, the macroscopic mechanical properties are expressed as transversely isotropic properties. In order to describe the mechanical behavior under the impact and vibration, the transversely isotropic hyperelastic constitutive model based on tensor function is proposed. The symmetry of the transversely isotropic incompressible material limits the stress tensor ‘ K ’ to be characterized as a function of 5 tensor invariants and 4 scalar invariants. The third power constitutive equations of the model give 12 independent elastic constants of the transversely isotropic nonlinear elastic material. The experimental results show that the non-zero elastic constants are different in the fiber direction and at the different strain rate. Number and value of adiabatic layer and related products R & D has a reference value.

Development of textile-based high-tech products: the new challenge.

PubMed

da Rocha, Ana Maria M F

2004-01-01

The new generation of smart textiles is represented by fibers, yarns, fabrics and other resulting products that have special properties, regarding mechanical, chemical, electrical and thermal performances. These high-tech products, being able to respond to external stimuli through the integration of electronic components, phase change materials, shape memory materials or nano materials, enabled the development of different active and functional products. These products when combining the functions of medium, carrier and interface for micro-systems applications represent the ideal connecting channel between humans and the environment. This is a field of innovation that broadened the scope of the traditional textile and apparel products to high-tech textiles, designed to meet specific needs, involving different technologies and produced according to required properties, like personal protection, safety, leisure or health wear. The development of smart wear is a new challenge for the textile and clothing industry: it has to develop products based not only on design, fashion and comfort concepts but also in terms of functions. Moreover these products must be easy to care and durable.

Manufacturing of Liquid-Embedded Elastomers for Stretchable Electronics

NASA Astrophysics Data System (ADS)

Kramer, Rebecca; Majidi, Carmel; Weaver, James; Wood, Robert

2013-03-01

Future generations of robots, electronics, and assistive medical devices will include systems that are soft, elastically deformable, and may adapt their functionality in unstructured environments. This will require soft active materials for power circuits and sensing of deformation and contact pressure. As the demand for increased elasticity of electrical components heightens, the challenges for functionality revert to basic questions of fabrication, materials, and design. Several designs for soft sensory skins (including strain, pressure and curvature sensors) based on a liquid-embedded-elastomer approach have been developed. This talk will highlight new ``soft MEMS'' manufacturing techniques based on wetting behavior between gallium-indium alloys and elastomers with varying microtextured surface topography. Supported by Harvard MRSEC and the Wyss Institute

Origami-inspired active graphene-based paper for programmable instant self-folding walking devices.

PubMed

Mu, Jiuke; Hou, Chengyi; Wang, Hongzhi; Li, Yaogang; Zhang, Qinghong; Zhu, Meifang

2015-11-01

Origami-inspired active graphene-based paper with programmed gradients in vertical and lateral directions is developed to address many of the limitations of polymer active materials including slow response and violent operation methods. Specifically, we used function-designed graphene oxide as nanoscale building blocks to fabricate an all-graphene self-folding paper that has a single-component gradient structure. A functional device composed of this graphene paper can (i) adopt predesigned shapes, (ii) walk, and (iii) turn a corner. These processes can be remote-controlled by gentle light or heating. We believe that this self-folding material holds potential for a wide range of applications such as sensing, artificial muscles, and robotics.

Courses of Action to Optimize Heavy Bearings Cages

NASA Astrophysics Data System (ADS)

Szekely, V. G.

2016-11-01

The global expansion in the industrial, economically and technological context determines the need to develop products, technologies, processes and methods which ensure increased performance, lower manufacturing costs and synchronization of the main costs reported to the elementary values which correspond to utilization”. The development trend of the heavy bearing industry and the wide use of bearings determines the necessity of choosing the most appropriate material for a given application in order to meet the cumulative requirements of durability, reliability, strength, etc. Evaluation of commonly known or new materials represents a fundamental criterion, in order to choose the materials based on the cost, machinability and the technological process. In order to ensure the most effective basis for the decision, regarding the heavy bearing cage, in the first stage the functions of the product are established and in a further step a comparative analysis of the materials is made in order to establish the best materials which satisfy the product functions. The decision for selecting the most appropriate material is based largely on the overlapping of the material costs and manufacturing process during which the half-finished material becomes a finished product. The study is orientated towards a creative approach, especially towards innovation and reengineering by using specific techniques and methods applied in inventics. The main target is to find new efficient and reliable constructive and/or technological solutions which are consistent with the concept of sustainable development.

Friction properties of biological functional materials: PVDF membranes.

PubMed

Chen, Long; Di, Changan; Chen, Xuguang; Li, Zhengzhi; Luo, Jia

2017-01-02

Touch is produced by sensations that include approaching, sliding, pressing, and temperature. This concept has become a target of research in biotechnology, especially in the field of bionic biology. This study measured sliding and pressing with traditional tactile sensors in order to improve a machine operator's judgment of surface roughness. Based on the theory of acoustic emission, this study combined polyvinylidene fluoride (PVDF) with a sonic transducer to produce tactile sensors that can detect surface roughness. Friction between PVDF films and experimental materials generated tiny acoustic signals that were transferred into electrical signals through a sonic transducer. The characteristics of the acoustic signals for the various materials were then analyzed. The results suggest that this device can effectively distinguish among different objects based on roughness. Tactile sensors designed using this principle and structure function very similarly to the human body in recognizing the surface of an object.

Novel rGO-T-C(n) Nanosheets developed via click chemistry as a lubricant anti-wear additive.

PubMed

Bagheri, Samira; Jamal, Nadia; Halilu, Ahmed; TermehYousefi, Amin

2018-04-18

Process equipment and facilities are constantly facing the dilemmas of tear and wear. This manuscript introducing functionalized reduced graphene oxide with triazole moiety via click chemistry as a anti-wear additive. While this has been achieved successfully, full characterization of the new anti-wear additive material revealed it to be promising in ameliorating issues of wears. One of the merits of the synthesized material includes reduction of contact asperity as the lipophilic alkyl chain length increases. It has been tested to be functional when formulated as an additive in group III petroleum base oil. Accordingly, it shows an irregularity in renewable base oil. Following screening evaluations of the lipophilic alkyl chain lengths, the additive with twelve carbon atoms; functionalized reduced graphene oxide, rGO-T-C(12) was confirmed to stand out among others with the good reduction of friction coefficient and the least wear scar diameter of ~539.78 µm, compared to the base oil containing no additive.

Designer amphiphilic proteins as building blocks for the intracellular formation of organelle-like compartments

NASA Astrophysics Data System (ADS)

Huber, Matthias C.; Schreiber, Andreas; von Olshausen, Philipp; Varga, Balázs R.; Kretz, Oliver; Joch, Barbara; Barnert, Sabine; Schubert, Rolf; Eimer, Stefan; Kele, Péter; Schiller, Stefan M.

2015-01-01

Nanoscale biological materials formed by the assembly of defined block-domain proteins control the formation of cellular compartments such as organelles. Here, we introduce an approach to intentionally ‘program’ the de novo synthesis and self-assembly of genetically encoded amphiphilic proteins to form cellular compartments, or organelles, in Escherichia coli. These proteins serve as building blocks for the formation of artificial compartments in vivo in a similar way to lipid-based organelles. We investigated the formation of these organelles using epifluorescence microscopy, total internal reflection fluorescence microscopy and transmission electron microscopy. The in vivo modification of these protein-based de novo organelles, by means of site-specific incorporation of unnatural amino acids, allows the introduction of artificial chemical functionalities. Co-localization of membrane proteins results in the formation of functionalized artificial organelles combining artificial and natural cellular function. Adding these protein structures to the cellular machinery may have consequences in nanobiotechnology, synthetic biology and materials science, including the constitution of artificial cells and bio-based metamaterials.

Flexible plastic, paper and textile lab-on-a chip platforms for electrochemical biosensing.

PubMed

Economou, Anastasios; Kokkinos, Christos; Prodromidis, Mamas

2018-06-26

Flexible biosensors represent an increasingly important and rapidly developing field of research. Flexible materials offer several advantages as supports of biosensing platforms in terms of flexibility, weight, conformability, portability, cost, disposability and scope for integration. On the other hand, electrochemical detection is perfectly suited to flexible biosensing devices. The present paper reviews the field of integrated electrochemical bionsensors fabricated on flexible materials (plastic, paper and textiles) which are used as functional base substrates. The vast majority of electrochemical flexible lab-on-a-chip (LOC) biosensing devices are based on plastic supports in a single or layered configuration. Among these, wearable devices are perhaps the ones that most vividly demonstrate the utility of the concept of flexible biosensors while diagnostic cards represent the state-of-the art in terms of integration and functionality. Another important type of flexible biosensors utilize paper as a functional support material enabling the fabrication of low-cost and disposable paper-based devices operating on the lateral flow, drop-casting or folding (origami) principles. Finally, textile-based biosensors are beginning to emerge enabling real-time measurements in the working environment or in wound care applications. This review is timely due to the significant advances that have taken place over the last few years in the area of LOC biosensors and aims to direct the readers to emerging trends in this field.

Updated workshop materials for preserving and enhancing the functionality of highways in Texas

DOT National Transportation Integrated Search

2010-01-01

The workshop material is based off of TxDOT research project 0-6208 conducted in 2009. The project included three deliverables. These included a final report, a guidebook, and a summary report. A copy of the guidebook is included in the back of the p...

Biofunctionalization of carbon nanostructures through enzyme immobilization in colloidal silica

NASA Astrophysics Data System (ADS)

Goulet, Evan M.

Multi-walled carbon nanotubes (MWNT) and carbon nanopipettes (CNP) provide interesting high aspect ratio scaffolds on which to base functionally gradient materials. In this dissertation, we present a general method for the production of an enzymatically active composite material based on MWNTs. Polyethyleneimine (PEI) was applied to purified MWNTs, generating a positive electrostatic potential on the MWNTs. This positive potential was used to apply negatively charged colloidal silica particle in the presence of a high concentration of enzyme. The silica coating continued to grow via localized condensation of silica particles driven by the buffered saline conditions, immobilizing the enzyme within the coating. The mesoporous nanostructure was characterized via transmission electron microscopy. Optical spectroscopy experiments on the material employed as an active suspension showed that the immobilized enzymes horseradish peroxidase (HRP) and tyrosinase (TV) retained their activity upon incorporation into the material. Using HRP as a model enzyme, it was determined that the MWNT-HRP-Silica material showed similar pH and temperature dependencies in activity to those of free HRP in solution. An examination of the Michaelis-Menten kinetics showed that the material had a slightly higher value of KM than did free HRP. The MWNT-HRP-Silica material was also employed as an active filter membrane, which allowed us to explore the reusable nature of the material. We were able to show the denaturation of the filter due to the loss of Ca2+ cations at low pH and then restore the activity by soaking the filter membrane in 1 mM CaCl2. The MWNT-HRP-Silica material was used to modify a carbon microelectrode and produce a functioning electrochemical sensor for H2O2 . Utilizing cyclic voltammetry, the sensor was shown to have a linear response in limiting current versus concentration of H2O2 of 4.26 pA/microM. We also determined a lower detection limit of 0.67 microM H2O2. CNPs were investigated as functional microelectrodes. Colloidal silica was applied to the CNP with HRP, but it was difficult to prove functionality. One irregularly coated CNP showed a clear response to H2O2, but we were not able to reproduce the response in other samples. This work indicated the CNPs have promise as functional microelectrodes.

The Effect of Small Molecule Additives on the Self-Assembly and Functionality of Protein-Polymer Diblock Copolymers

NASA Astrophysics Data System (ADS)

Thomas, Carla; Xu, Liza; Olsen, Bradley

2013-03-01

Self-assembly of globular protein-polymer block copolymers into well-defined nanostructures provides a route towards the manufacture of protein-based materials which maintains protein fold and function. The model material mCherry-b-poly(N-isopropyl acrylamide) forms self-assembled nanostructures from aqueous solutions via solvent evaporation. To improve retention of protein functionality when dehydrated, small molecules such as trehalose and glycerol are added in solution prior to solvent removal. With as little as 10 wt% additive, improvements in retained functionality of 20-60% are observed in the solid-state as compared to samples in which no additive is present. Higher additive levels (up to 50%) continue to show improvement until approximately 100% of the protein function is retained. These large gains are hypothesized to originate from the ability of the additives to replace hydrogen bonds normally fulfilled by water. The addition of trehalose in the bulk material also improves the thermal stability of the protein by 15-20 °C, while glycerol decreases the thermal stability. Materials containing up to 50% additives remain microphase separated, and, upon incorporation of additives, nanostructure domain spacing tends to increase, accompanied by order-order transitions.

Metamodel-based inverse method for parameter identification: elastic-plastic damage model

NASA Astrophysics Data System (ADS)

Huang, Changwu; El Hami, Abdelkhalak; Radi, Bouchaïb

2017-04-01

This article proposed a metamodel-based inverse method for material parameter identification and applies it to elastic-plastic damage model parameter identification. An elastic-plastic damage model is presented and implemented in numerical simulation. The metamodel-based inverse method is proposed in order to overcome the disadvantage in computational cost of the inverse method. In the metamodel-based inverse method, a Kriging metamodel is constructed based on the experimental design in order to model the relationship between material parameters and the objective function values in the inverse problem, and then the optimization procedure is executed by the use of a metamodel. The applications of the presented material model and proposed parameter identification method in the standard A 2017-T4 tensile test prove that the presented elastic-plastic damage model is adequate to describe the material's mechanical behaviour and that the proposed metamodel-based inverse method not only enhances the efficiency of parameter identification but also gives reliable results.

Optical and Electronic NO(x) Sensors for Applications in Mechatronics.

PubMed

Di Franco, Cinzia; Elia, Angela; Spagnolo, Vincenzo; Scamarcio, Gaetano; Lugarà, Pietro Mario; Ieva, Eliana; Cioffi, Nicola; Torsi, Luisa; Bruno, Giovanni; Losurdo, Maria; Garcia, Michael A; Wolter, Scott D; Brown, April; Ricco, Mario

2009-01-01

Current production and emerging NO(x) sensors based on optical and nanomaterials technologies are reviewed. In view of their potential applications in mechatronics, we compared the performance of: i) Quantum cascade lasers (QCL) based photoacoustic (PA) systems; ii) gold nanoparticles as catalytically active materials in field-effect transistor (FET) sensors, and iii) functionalized III-V semiconductor based devices. QCL-based PA sensors for NO(x) show a detection limit in the sub part-per-million range and are characterized by high selectivity and compact set-up. Electrochemically synthesized gold-nanoparticle FET sensors are able to monitor NO(x) in a concentration range from 50 to 200 parts per million and are suitable for miniaturization. Porphyrin-functionalized III-V semiconductor materials can be used for the fabrication of a reliable NO(x) sensor platform characterized by high conductivity, corrosion resistance, and strong surface state coupling.

Biochar-based nano-composites for the decontamination of wastewater: A review.

PubMed

Tan, Xiao-Fei; Liu, Yun-Guo; Gu, Yan-Ling; Xu, Yan; Zeng, Guang-Ming; Hu, Xin-Jiang; Liu, Shao-Bo; Wang, Xin; Liu, Si-Mian; Li, Jiang

2016-07-01

Synthesizing biochar-based nano-composites can obtain new composites and combine the advantages of biochar with nano-materials. The resulting composites usually exhibit great improvement in functional groups, pore properties, surface active sites, catalytic degradation ability and easy to separation. These composites have excellent abilities to adsorb a range of contaminants from aqueous solutions. Particularly, catalytic material-coated biochar can exert simultaneous adsorption and catalytic degradation function for organic contaminants removal. Synthesizing biochar-based nano-composites has become an important practice for expanding the environmental applications of biochar and nanotechnology. This paper aims to review and summarize the various synthesis techniques for biochar-based nano-composites and their effects on the decontamination of wastewater. The characteristic and advantages of existing synthesis methods are summarized and discussed. Application of biochar-based nano-composites for different contaminants removal and the underlying mechanisms are reviewed. Furthermore, knowledge gaps that exist in the fabrication and application of biochar-based nano-composites are also identified. Copyright © 2016 Elsevier Ltd. All rights reserved.

Impact of Multifunctional Bimetallic Materials on Lithium Battery Electrochemistry.

PubMed

Durham, Jessica L; Poyraz, Altug S; Takeuchi, Esther S; Marschilok, Amy C; Takeuchi, Kenneth J

2016-09-20

Electric energy storage devices such as batteries are complex systems comprised of a variety of materials with each playing separate yet interactive roles, complicated by length scale interactions occurring from the molecular to the mesoscale. Thus, addressing specific battery issues such as functional capacity requires a comprehensive perspective initiating with atomic level concepts. For example, the electroactive materials which contribute to the functional capacity in a battery comprise approximately 30% or less of the total device mass. Thus, the design and implementation of multifunctional materials can conceptually reduce or eliminate the contribution of passive materials to the size and mass of the final system. Material multifunctionality can be achieved through appropriate material design on the atomic level resulting in bimetallic electroactive materials where one metal cation forms mesoscale conductive networks upon discharge while the other metal cations can contribute to atomic level structure and net functional secondary capacity, a device level issue. Specifically, this Account provides insight into the multimechanism electrochemical redox processes of bimetallic cathode materials based on transition metal oxides (MM'O) or phosphorus oxides (MM'PO) where M = Ag and M' = V or Fe. One discharge process can be described as reduction-displacement where Ag(+) is reduced to Ag(0) and displaced from the parent structure. This reduction-displacement reaction in silver-containing bimetallic electrodes allows for the in situ formation of a conductive network, enhancing the electrochemical performance of the electrode and reducing or eliminating the need for conductive additives. A second discharge process occurs through the reduction of the second transition metal, V or Fe, where the oxidation state of the metal center is reduced and lithium cations are inserted into the structure. As both metal centers contribute to the functional capacity, determining the kinetically and thermodynamically preferred reduction processes at various states of discharge is critical to elucidating the mechanism. Specific advanced in situ and ex situ characterization techniques are conducive to gaining insight regarding the electrochemical behavior of these multifunctional materials over multiple length scales. At the material level, optical microscopy, scanning electron microscopy, and local conductivity measurement via a nanoprobe can track the discharge mechanism of an isolated single particle. At the mesoscale electrode level, in situ data from synchrotron based energy dispersive X-ray diffraction (EDXRD) within fully intact steel batteries can be used to spatially map the distribution of silver metal generated through reduction displacement as a function of discharge depth and discharge rate. As illustrated here, appropriate design of materials with multiple electrochemically active metal centers and properties tuned through strategically conceptualized materials synthesis may provide a path toward the next generation of high energy content electroactive materials and systems. Full understanding of the multiple electrochemical mechanisms can be achieved only by utilizing advanced characterization tools over multiple length scales.

Recycling of inorganic waste in monolithic and cellular glass‐based materials for structural and functional applications

PubMed Central

Rincón, Acacio; Marangoni, Mauro; Cetin, Suna

2016-01-01

Abstract The stabilization of inorganic waste of various nature and origin, in glasses, has been a key strategy for environmental protection for the last decades. When properly formulated, glasses may retain many inorganic contaminants permanently, but it must be acknowledged that some criticism remains, mainly concerning costs and energy use. As a consequence, the sustainability of vitrification largely relies on the conversion of waste glasses into new, usable and marketable glass‐based materials, in the form of monolithic and cellular glass‐ceramics. The effective conversion in turn depends on the simultaneous control of both starting materials and manufacturing processes. While silica‐rich waste favours the obtainment of glass, iron‐rich wastes affect the functionalities, influencing the porosity in cellular glass‐based materials as well as catalytic, magnetic, optical and electrical properties. Engineered formulations may lead to important reductions of processing times and temperatures, in the transformation of waste‐derived glasses into glass‐ceramics, or even bring interesting shortcuts. Direct sintering of wastes, combined with recycled glasses, as an example, has been proven as a valid low‐cost alternative for glass‐ceramic manufacturing, for wastes with limited hazardousness. The present paper is aimed at providing an up‐to‐date overview of the correlation between formulations, manufacturing technologies and properties of most recent waste‐derived, glass‐based materials. © 2016 The Authors. Journal of Chemical Technology & Biotechnology published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry. PMID:27818564

Recycling of inorganic waste in monolithic and cellular glass-based materials for structural and functional applications.

PubMed

Rincón, Acacio; Marangoni, Mauro; Cetin, Suna; Bernardo, Enrico

2016-07-01

The stabilization of inorganic waste of various nature and origin, in glasses, has been a key strategy for environmental protection for the last decades. When properly formulated, glasses may retain many inorganic contaminants permanently, but it must be acknowledged that some criticism remains, mainly concerning costs and energy use. As a consequence, the sustainability of vitrification largely relies on the conversion of waste glasses into new, usable and marketable glass-based materials, in the form of monolithic and cellular glass-ceramics. The effective conversion in turn depends on the simultaneous control of both starting materials and manufacturing processes. While silica-rich waste favours the obtainment of glass, iron-rich wastes affect the functionalities, influencing the porosity in cellular glass-based materials as well as catalytic, magnetic, optical and electrical properties. Engineered formulations may lead to important reductions of processing times and temperatures, in the transformation of waste-derived glasses into glass-ceramics, or even bring interesting shortcuts. Direct sintering of wastes, combined with recycled glasses, as an example, has been proven as a valid low-cost alternative for glass-ceramic manufacturing, for wastes with limited hazardousness. The present paper is aimed at providing an up-to-date overview of the correlation between formulations, manufacturing technologies and properties of most recent waste-derived, glass-based materials. © 2016 The Authors. Journal of Chemical Technology & Biotechnology published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.

Conceptual design of tetraazaporphyrin- and subtetraazaporphyrin-based functional nanocarbon materials: electronic structures, topologies, optical properties, and methane storage capacities.

PubMed

Belosludov, Rodion V; Rhoda, Hannah M; Zhdanov, Ravil K; Belosludov, Vladimir R; Kawazoe, Yoshiyuki; Nemykin, Victor N

2016-05-11

A large variety of conceptual three- and fourfold tetraazaporphyrin- and subtetraazaporphyrin-based functional 3D nanocage and nanobarrel structures have been proposed on the basis of in silico design. The designed structures differ in their sizes, topology, porosity, and conjugation properties. The stability of nanocages of Oh symmetry and nanobarrels of D4h symmetry was revealed on the basis of DFT and MD calculations, whereas their optical properties were assessed using a TDDFT approach and a long-range corrected LC-wPBE exchange-correlation functional. It was shown that the electronic structures and vertical excitation energies of the functional nanocage and nanobarrel structures could be easily tuned via their size, topology, and the presence of bridging sp(3) carbon atoms. TDDFT calculations suggest significantly lower excitation energies in fully conjugated nanocages and nanobarrels compared with systems with bridging sp(3) carbon fragments. Based on DFT and TDDFT calculations, the optical properties of the new materials can rival those of known quantum dots and are superior to those of monomeric phthalocyanines and their analogues. The methane gas adsorption properties of the new nanostructures and nanotubes generated by conversion from nanobarrels were studied using an MD simulation approach. The ability to store large quantities of methane (106-216 cm(3) (STP) cm(-3)) was observed in all cases with several compounds being close to or exceeding the DOE target of 180 cm(3) (STP) cm(-3) for material-based methane storage at a pressure of 3.5 MPa and room temperature.

Novel biomaterials: plasma-enabled nanostructures and functions

NASA Astrophysics Data System (ADS)

Levchenko, Igor; Keidar, Michael; Cvelbar, Uroš; Mariotti, Davide; Mai-Prochnow, Anne; Fang, Jinghua; (Ken Ostrikov, Kostya

2016-07-01

Material processing techniques utilizing low-temperature plasmas as the main process tool feature many unique capabilities for the fabrication of various nanostructured materials. As compared with the neutral-gas based techniques and methods, the plasma-based approaches offer higher levels of energy and flux controllability, often leading to higher quality of the fabricated nanomaterials and sometimes to the synthesis of the hierarchical materials with interesting properties. Among others, nanoscale biomaterials attract significant attention due to their special properties towards the biological materials (proteins, enzymes), living cells and tissues. This review briefly examines various approaches based on the use of low-temperature plasma environments to fabricate nanoscale biomaterials exhibiting high biological activity, biological inertness for drug delivery system, and other features of the biomaterials make them highly attractive. In particular, we briefly discuss the plasma-assisted fabrication of gold and silicon nanoparticles for bio-applications; carbon nanoparticles for bioimaging and cancer therapy; carbon nanotube-based platforms for enzyme production and bacteria growth control, and other applications of low-temperature plasmas in the production of biologically-active materials.

Chemical silicon surface modification and bioreceptor attachment to develop competitive integrated photonic biosensors.

PubMed

Escorihuela, Jorge; Bañuls, María José; García Castelló, Javier; Toccafondo, Veronica; García-Rupérez, Jaime; Puchades, Rosa; Maquieira, Ángel

2012-12-01

Methodology for the functionalization of silicon-based materials employed for the development of photonic label-free nanobiosensors is reported. The studied functionalization based on organosilane chemistry allowed the direct attachment of biomolecules in a single step, maintaining their bioavailability. Using this immobilization approach in probe microarrays, successful specific detection of bacterial DNA is achieved, reaching hybridization sensitivities of 10 pM. The utility of the immobilization approach for the functionalization of label-free nanobiosensors based on photonic crystals and ring resonators was demonstrated using bovine serum albumin (BSA)/anti-BSA as a model system.

LSMS

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

Eisenbach, Markus; Li, Ying Wai; Liu, Xianglin

2017-12-01

LSMS is a first principles, Density Functional theory based, electronic structure code targeted mainly at materials applications. LSMS calculates the local spin density approximation to the diagonal part of the electron Green's function. The electron/spin density and energy are easily determined once the Green's function is known. Linear scaling with system size is achieved in the LSMS by using several unique properties of the real space multiple scattering approach to the Green's function.

Material appearance acquisition from a single image

NASA Astrophysics Data System (ADS)

Zhang, Xu; Cui, Shulin; Cui, Hanwen; Yang, Lin; Wu, Tao

2017-01-01

The scope of this paper is to present a method of material appearance acquisition(MAA) from a single image. In this paper, material appearance is represented by spatially varying bidirectional reflectance distribution function(SVBRDF). Therefore, MAA can be reduced to the problem of recovery of each pixel's BRDF parameters from an original input image, which include diffuse coefficient, specular coefficient, normal and glossiness based on the Blinn-Phone model. In our method, the workflow of MAA includes five main phases: highlight removal, estimation of intrinsic images, shape from shading(SFS), initialization of glossiness and refining SVBRDF parameters based on IPOPT. The results indicate that the proposed technique can effectively extract the material appearance from a single image.

New functionalities in abundant element oxides: ubiquitous element strategy

PubMed Central

Hosono, Hideo; Hayashi, Katsuro; Kamiya, Toshio; Atou, Toshiyuki; Susaki, Tomofumi

2011-01-01

While most ceramics are composed of ubiquitous elements (the ten most abundant elements within the Earth's crust), many advanced materials are based on rare elements. A ‘rare-element crisis’ is approaching owing to the imbalance between the limited supply of rare elements and the increasing demand. Therefore, we propose a ‘ubiquitous element strategy’ for materials research, which aims to apply abundant elements in a variety of innovative applications. Creation of innovative oxide materials and devices based on conventional ceramics is one specific challenge. This review describes the concept of ubiquitous element strategy and gives some highlights of our recent research on the synthesis of electronic, thermionic and structural materials using ubiquitous elements. PMID:27877391

Microassembly of Heterogeneous Materials using Transfer Printing and Thermal Processing

PubMed Central

Keum, Hohyun; Yang, Zining; Han, Kewen; Handler, Drew E.; Nguyen, Thong Nhu; Schutt-Aine, Jose; Bahl, Gaurav; Kim, Seok

2016-01-01

Enabling unique architectures and functionalities of microsystems for numerous applications in electronics, photonics and other areas often requires microassembly of separately prepared heterogeneous materials instead of monolithic microfabrication. However, microassembly of dissimilar materials while ensuring high structural integrity has been challenging in the context of deterministic transferring and joining of materials at the microscale where surface adhesion is far more dominant than body weight. Here we present an approach to assembling microsystems with microscale building blocks of four disparate classes of device-grade materials including semiconductors, metals, dielectrics, and polymers. This approach uniquely utilizes reversible adhesion-based transfer printing for material transferring and thermal processing for material joining at the microscale. The interfacial joining characteristics between materials assembled by this approach are systematically investigated upon different joining mechanisms using blister tests. The device level capabilities of this approach are further demonstrated through assembling and testing of a microtoroid resonator and a radio frequency (RF) microelectromechanical systems (MEMS) switch that involve optical and electrical functionalities with mechanical motion. This work opens up a unique route towards 3D heterogeneous material integration to fabricate microsystems. PMID:27427243

Structure/function relations of hemostatic nonwoven dressings based on greige cotton

USDA-ARS?s Scientific Manuscript database

A variety of natural and synthetic fibers are employed in hemostatic dressings. Here we demonstrate the use of greige cotton as a functional fiber, which when combined with hydrophilic and hydrophobic fibers in hydroentangled nonwoven materials, promotes accelerated clotting. A biophysical approach...

Increased functionality of methyl oleate using alkene metathesis

USDA-ARS?s Scientific Manuscript database

A series of alkene cross metathesis reactions were performed using a homogeneous ruthenium based catalyst. Using this technology, a variety of functional groups can be incorporated into the biobased starting material, methyl oleate. Trans-stilbene, styrene, methyl cinnamate and hexen-3-ol were all s...

SURFACE MODIFICATION OF SILICA- AND CELLULOSE-BASED MICROFILTRATION MEMBRANES WITH FUNCTIONAL POLYAMINO ACIDS FOR HEAVY METAL SORPTION

EPA Science Inventory

Functionalized membranes represent a field with multiple applications. Examination of specific metal-macromolecule interactions on these surfaces presents an excellent method for characterizion of these materials. These interactions may also be exploited for heavy metal sorptio...

Instructional Applications of Hypermedia: Functional Features, Limitations, and Research Issues.

ERIC Educational Resources Information Center

Park, Ok-choon

1992-01-01

Defines hypermedia and describes the structure and functional requirements of a hypermedia program. Potentials of hypermedia for instructional delivery, idea generation and organization, file storage and organization, and development of computer-based instruction materials are discussed. Several research issues related to instructional…

Plant-based Paste Fermented by Lactic Acid Bacteria and Yeast: Functional Analysis and Possibility of Application to Functional Foods

PubMed Central

Kuwaki, Shinsuke; Nakajima, Nobuyoshi; Tanaka, Hidehiko; Ishihara, Kohji

2012-01-01

A plant-based paste fermented by lactic acid bacteria and yeast (fermented paste) was made from various plant materials. The paste was made of fermented food by applying traditional food-preservation techniques, that is, fermentation and sugaring. The fermented paste contained major nutrients (carbohydrates, proteins, and lipids), 18 kinds of amino acids, and vitamins (vitamin A, B1, B2, B6, B12, E, K, niacin, biotin, pantothenic acid, and folic acid). It contained five kinds of organic acids, and a large amount of dietary fiber and plant phytochemicals. Sucrose from brown sugar, used as a material, was completely resolved into glucose and fructose. Some physiological functions of the fermented paste were examined in vitro. It was demonstrated that the paste possessed antioxidant, antihypertensive, antibacterial, anti-inflammatory, anti-allergy and anti-tyrosinase activities in vitro. It was thought that the fermented paste would be a helpful functional food with various nutrients to help prevent lifestyle diseases. PMID:25114554

Venography

MedlinePlus

... impaired kidney (renal) function should be given special consideration before receiving iodine-based contrast materials by vein or artery. Such patients are at risk for developing contrast-induced nephropathy, ...

Reutilization of discarded biomass for preparing functional polymer materials.

PubMed

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.

Printed organo-functionalized graphene for biosensing applications.

PubMed

Wisitsoraat, A; Mensing, J Ph; Karuwan, C; Sriprachuabwong, C; Jaruwongrungsee, K; Phokharatkul, D; Daniels, T M; Liewhiran, C; Tuantranont, A

2017-01-15

Graphene is a highly promising material for biosensors due to its excellent physical and chemical properties which facilitate electron transfer between the active locales of enzymes or other biomaterials and a transducer surface. Printing technology has recently emerged as a low-cost and practical method for fabrication of flexible and disposable electronics devices. The combination of these technologies is promising for the production and commercialization of low cost sensors. In this review, recent developments in organo-functionalized graphene and printed biosensor technologies are comprehensively covered. Firstly, various methods for printing graphene-based fluids on different substrates are discussed. Secondly, different graphene-based ink materials and preparation methods are described. Lastly, biosensing performances of printed or printable graphene-based electrochemical and field effect transistor sensors for some important analytes are elaborated. The reported printed graphene based sensors exhibit promising properties with good reliability suitable for commercial applications. Among most reports, only a few printed graphene-based biosensors including screen-printed oxidase-functionalized graphene biosensor have been demonstrated. The technology is still at early stage but rapidly growing and will earn great attention in the near future due to increasing demand of low-cost and disposable biosensors. Copyright © 2016 Elsevier B.V. All rights reserved.

Smart hydrogel-functionalized textile system with moisture management property for skin application

NASA Astrophysics Data System (ADS)

Wang, Xiaowen; Hu, Huawen; Yang, Zongyue; He, Liang; Kong, Yeeyee; Fei, Bin; Xin, John H.

2014-12-01

In this study, a functional textile-based material for topical skin application was fabricated by coating a thermoresponsive hydrogel onto one side of absorbent nonwoven fabric. The thermoresponsive hydrogel was synthesized easily through coupling of poly (ethylene glycol) (PEG) and poly (ɛ-caprolactone) (PCL) with hexamethylene diisocyanate (HMDI) as a chemical linker. The chemical structure of the as-prepared triblock copolymer hydrogel was unraveled by FTIR and 1H NMR analysis. The hydrogel showed a temperature-triggered sol-gel transition behavior and high potential for use as drug controlled release. When the surrounding temperature was close to the skin temperature of around 34 °C, it became a moisture management system where the liquids including sweat, blood, and other body fluids can be transported unidirectionally from one fabric side with the hydrophobic hydrogel coating to the untreated opposite side. This thereby showed that the thermoresponsive hydrogel-coated textile materials had a function to keep topical skin area clean, breathable, and comfortable, thus suggesting a great potential and significance for long-term skin treatment application. The structure and surface morphology of the thermoresponsive hydrogel, in vitro drug release behavior, and the mechanism of unidirectional water transport were investigated in detail. Our success in preparation of the functional textile composites will pave the way for development of various polymer- or textile-based functional materials that are applicable in the real world.

Protein-Based Nanofabrics for Multifunctional Air Filtering

NASA Astrophysics Data System (ADS)

Souzandeh, Hamid

With the fast development of economics and population, air pollution is getting worse and becomes a great concern worldwide. The release of chemicals, particulates and biological materials into air can lead to various diseases or discomfort to humans and other living organisms, alongside other serious impacts on the environment. Therefore, improving indoor air quality using various air filters is in critical need because people stay inside buildings most time of the day. However, current air filters using traditional polymers can only remove particles from the polluted air and disposing the huge amount of used air filters can cause serious secondary environmental pollution. Therefore, development of multi-functional air filter materials with environmental friendliness is significant. For this purpose, we developed "green" protein-based multifunctional air-filtering materials. The outstanding performance of the green materials in removal of multiple species of pollutants, including particulate matter, toxic chemicals, and biological hazards, simultaneously, will greatly facilitate the development of the next-generation air-filtration systems. First and foremost, we developed high-performance protein-based nanofabric air-filter mats. It was found that the protein-nanofabrics possess high-efficiency multifunctional air-filtering properties for both particles and various species of chemical gases. Then, the high-performance natural protein-based nanofabrics were promoted both mechanically and functionally by a textured cellulose paper towel. It is interestingly discovered that the textured cellulose paper towel not only can act as a flexible mechanical support, but also a type of airflow regulator which can improve the pollutant-nanofilter interactions. Furthermore, the protein-based nanofabrics were crosslinked in order to enhance the environmental-stability of the filters. It was found that the crosslinked protein-nanofabrics can significantly improve the structure stability against different moisture levels and temperatures, while maintain the multifunctional filtration performance. Moreover, it was demonstrated that the crosslinked protein-nanomaterials also possess antibacterial properties against the selected gram-negative and gram-positive bacteria. This provides a cost-effective solution for advanced "green" nanomaterials with excellent performance in both filtration functions and structure stability under varying environment. This work indicates that protein-based air-filters are promising "green" air-filtering materials for next-generation air-filtration systems.

Recent advances in 2D materials for photocatalysis.

PubMed

Luo, Bin; Liu, Gang; Wang, Lianzhou

2016-04-07

Two-dimensional (2D) materials have attracted increasing attention for photocatalytic applications because of their unique thickness dependent physical and chemical properties. This review gives a brief overview of the recent developments concerning the chemical synthesis and structural design of 2D materials at the nanoscale and their applications in photocatalytic areas. In particular, recent progress on the emerging strategies for tailoring 2D material-based photocatalysts to improve their photo-activity including elemental doping, heterostructure design and functional architecture assembly is discussed.

Disordered anodes for Ni-metal rechargeable battery

DOEpatents

Young, Kwo-hsiung; Wang, Lixin; Mays, William C.

2016-11-22

An electrochemical cell is provided that includes a structurally and compositionally disordered electrochemically active alloy material as an anode active material with unexpected capacity against a nickel hydroxide based cathode active material. The disordered metal hydroxide alloy includes three or more transition metal elements and is formed in such a way so as to produce the necessary disorder in the overall system. When an anode active material includes nickel as a predominant, the resulting cells represent the first demonstration of a functional Ni/Ni cell.

Mechanistic materials modeling for nuclear fuel performance

DOE PAGES

Tonks, Michael R.; Andersson, David; Phillpot, Simon R.; ...

2017-03-15

Fuel performance codes are critical tools for the design, certification, and safety analysis of nuclear reactors. However, their ability to predict fuel behavior under abnormal conditions is severely limited by their considerable reliance on empirical materials models correlated to burn-up (a measure of the number of fission events that have occurred, but not a unique measure of the history of the material). In this paper, we propose a different paradigm for fuel performance codes to employ mechanistic materials models that are based on the current state of the evolving microstructure rather than burn-up. In this approach, a series of statemore » variables are stored at material points and define the current state of the microstructure. The evolution of these state variables is defined by mechanistic models that are functions of fuel conditions and other state variables. The material properties of the fuel and cladding are determined from microstructure/property relationships that are functions of the state variables and the current fuel conditions. Multiscale modeling and simulation is being used in conjunction with experimental data to inform the development of these models. Finally, this mechanistic, microstructure-based approach has the potential to provide a more predictive fuel performance capability, but will require a team of researchers to complete the required development and to validate the approach.« less

Chromatographic matrix based on hydrogel-coated reticulated polyurethane foams, prepared by gamma irradiation

NASA Astrophysics Data System (ADS)

Sánchez, Mirna L.; Giménez, Claudia Y.; Delgado, Juan F.; Martínez, Leandro J.; Grasselli, Mariano

2017-12-01

Novel chromatographic materials for protein purification with high adsorption capacity and fouling resistance are highly demanded to improve downstream processes. Here, we describe a novel adsorptive material based on reticulated polyurethane foam (rPUF) coated with a functional hydrogel layer. rPUF provides physical rigidity through its macroscopic structure, whereas the hydrogel layer provides capacity to adsorb proteins by specific interactions. The hydrogel coating process was performed by the dip-coating method, using a polyvinyl alcohol (PVA) solution. The PVA hydrogel was linked to the rPUF material by using a radiation-induced crosslinking process in aqueous ethanol solution. The ethanol in the solvent mixture allowed a balance between PVA swelling and PVA dissolution during the irradiation step. The resulting material showed higher thermal stability than the non-irradiated one. In addition, a simultaneous radiation-induced grafting polymerization (SRIGP) was done by simple addition of glycidyl methacrylate monomer into the irradiation solution. In a further step, sulfonic ligands were included specifically in the hydrogel layer, which contained around 200% of PVA respect to the original rPUF. Materials were characterized by FT-IR, thermogravimetric analysis, SEM microscopy and EDX analysis. The cation-exchange rPUF material was functionally characterized by the Langmuir isotherm and a dynamic adsorption experiment to analyze the chromatographic properties for protein purification processes.

Nitrogen-doped partially reduced graphene oxide rewritable nonvolatile memory.

PubMed

Seo, Sohyeon; Yoon, Yeoheung; Lee, Junghyun; Park, Younghun; Lee, Hyoyoung

2013-04-23

As memory materials, two-dimensional (2D) carbon materials such as graphene oxide (GO)-based materials have attracted attention due to a variety of advantageous attributes, including their solution-processability and their potential for highly scalable device fabrication for transistor-based memory and cross-bar memory arrays. In spite of this, the use of GO-based materials has been limited, primarily due to uncontrollable oxygen functional groups. To induce the stable memory effect by ionic charges of a negatively charged carboxylic acid group of partially reduced graphene oxide (PrGO), a positively charged pyridinium N that served as a counterion to the negatively charged carboxylic acid was carefully introduced on the PrGO framework. Partially reduced N-doped graphene oxide (PrGODMF) in dimethylformamide (DMF) behaved as a semiconducting nonvolatile memory material. Its optical energy band gap was 1.7-2.1 eV and contained a sp2 C═C framework with 45-50% oxygen-functionalized carbon density and 3% doped nitrogen atoms. In particular, rewritable nonvolatile memory characteristics were dependent on the proportion of pyridinum N, and as the proportion of pyridinium N atom decreased, the PrGODMF film lost memory behavior. Polarization of charged PrGODMF containing pyridinium N and carboxylic acid under an electric field produced N-doped PrGODMF memory effects that followed voltage-driven rewrite-read-erase-read processes.

Detoxification of zearalenone from corn oil by adsorption of functionalized GO systems

NASA Astrophysics Data System (ADS)

Bai, Xiaojuan; Sun, Changpo; Xu, Jing; Liu, Di; Han, Yangying; Wu, Songling; Luo, Xiaohong

2018-02-01

Graphene oxide (GO) and its functionalized systems have very unique structural advantages as excellent adsorbent or substrate material in the removal of organic contaminants. Herein, we reported a strategy to establish functionalized GO system (FGO) using amphiphilic molecules didodecyldimethylammonium bromide (DDAB) as a modifier for the detoxification of zearalenone (ZEN) from corn oil. The adsorption property for the removal of ZEN from edible corn oils under different experimental conditions such as pH, amphiphilic molecules, time and temperature was investigated in detail. The morphology structure, adsorption isotherm, adsorption kinetics and the recyclability of FGO systems have also been researched, systematically. The FGO systems exhibit a higher adsorption efficiency, recyclability and thermostability in comparison with the traditional adsorbent materials. It provides an insight into the detoxification of mycotoxin from edible oils by graphene-based new materials.

An uncertainty model of acoustic metamaterials with random parameters

NASA Astrophysics Data System (ADS)

He, Z. C.; Hu, J. Y.; Li, Eric

2018-01-01

Acoustic metamaterials (AMs) are man-made composite materials. However, the random uncertainties are unavoidable in the application of AMs due to manufacturing and material errors which lead to the variance of the physical responses of AMs. In this paper, an uncertainty model based on the change of variable perturbation stochastic finite element method (CVPS-FEM) is formulated to predict the probability density functions of physical responses of AMs with random parameters. Three types of physical responses including the band structure, mode shapes and frequency response function of AMs are studied in the uncertainty model, which is of great interest in the design of AMs. In this computation, the physical responses of stochastic AMs are expressed as linear functions of the pre-defined random parameters by using the first-order Taylor series expansion and perturbation technique. Then, based on the linear function relationships of parameters and responses, the probability density functions of the responses can be calculated by the change-of-variable technique. Three numerical examples are employed to demonstrate the effectiveness of the CVPS-FEM for stochastic AMs, and the results are validated by Monte Carlo method successfully.

Bio-based hyperbranched thermosetting polyurethane/triethanolamine functionalized multi-walled carbon nanotube nanocomposites as shape memory materials.

PubMed

Kalita, Hemjyoti; Karak, Niranjan

2014-07-01

Here, bio-based shape memory polymers have generated immense interest in recent times. Here, Bio-based hyperbranched polyurethane/triethanolamine functionalized multi-walled carbon nanotube (TEA-f-MWCNT) nanocomposites were prepared by in-situ pre-polymerization technique. The Fourier transform infrared spectroscopy and the transmission electron microscopic studies showed the strong interfacial adhesion and the homogeneous distribution of TEA-f-MWCNT in the polyurethane matrix. The prepared epoxy cured thermosetting nanocomposites exhibited enhanced tensile strength (6.5-34.5 MPa), scratch hardness (3.0-7.5 kg) and thermal stability (241-288 degrees C). The nanocomposites showed excellent shape fixity and shape recovery. The shape recovery time decreases (24-10 s) with the increase of TEA-f-MWCNT content in the nanocomposites. Thus the studied nanocomposites have potential to be used as advanced shape memory materials.

Density Functional Theory (DFT) Study of Molecularly Imprinted Polymer (MIP) Methacrylic Acid (MAA) with D-Glucose

NASA Astrophysics Data System (ADS)

Wungu, T. D. K.; Marsha, S. E.; Widayani; Suprijadi

2017-07-01

In order to find an alternative biosensor material which enables to detect the glucose level, therefore in this study, the interaction between Methacrylic Acid (MAA) based Molecularly Imprinted Polymer (MIP) with D-Glucose is investigated using the Density Functional Theory (DFT). The aim of this study is to determine whether a molecule of the MAA can be functioned as a bio-sensing of glucose. In this calculation, the Gaussian 09 with B3LYP and 631+G(d) basis sets is used to calculate all electronic properties. It is found that the interaction between a molecule of MAA and a molecule of D-Glucose was observed through the shortened distance between the two molecules. The binding energy of MAA/D-glucose and the Mulliken population analysis are investigated for checking possible interaction. From analysis, the MAA based MIP can be used as a bio-sensing material.

Functionalized Ga2O3 nanowires as active material in room temperature capacitance-based gas sensors.

PubMed

Mazeina, Lena; Perkins, F Keith; Bermudez, Victor M; Arnold, Stephen P; Prokes, S M

2010-08-17

We report the first evidence for functionalization of Ga(2)O(3) nanowires (NWs), which have been incorporated as the active material in room temperature capacitance gas-sensing devices. An adsorbed layer of pyruvic acid (PA) was successfully formed on Ga(2)O(3) NWs by simple room temperature vapor transport, which was confirmed by Fourier transform infrared spectroscopy. The effect of the adsorbed PA on the surface properties was demonstrated by the change in the response of the NW gas-sensing devices. Results indicate that the adsorption of PA reduced the sensitivity of the Ga(2)O(3) NW device to common hydrocarbons such as nitromethane and acetone while improving the response to triethylamine by an order of magnitude. Taking into account the simplicity of this functionalization together with the ease of producing these capacitance-based gas-sensing devices, this approach represents a viable technique for sensor development.

Crystalline Microporous Organosilicates with Reversed Functionalities of Organic and Inorganic Components for Room-Temperature Gas Sensing.

PubMed

Fabbri, Barbara; Bonoldi, Lucia; Guidi, Vincenzo; Cruciani, Giuseppe; Casotti, Davide; Malagù, Cesare; Bellussi, Giuseppe; Millini, Roberto; Montanari, Luciano; Carati, Angela; Rizzo, Caterina; Montanari, Erica; Zanardi, Stefano

2017-07-26

A deepened investigation on an innovative organic-inorganic hybrid material, referred to as ECS-14 (where ECS = Eni carbon silicates), revealed the possibility to use them as gas sensors. Indeed, among ECS phases, the crystalline state and the hexagonal microplateletlike morphology characteristic of ECS-14 seemed favorable properties to obtain continuous and uniform films. ECS-14 phase was used as functional material in screen-printable compositions and was thus deposited by drop coating for morphological, structural, thermal, and electrical characterizations. Possible operation at room temperature was investigated as technological progress, offering intrinsic safety in sensors working in harsh or industrial environments and avoiding high power consumption of most common sensors based on metal oxide semiconductors. Electrical characterization of the sensors based on ECS-14 versus concentrations of gaseous analytes gave significant results at room temperature in the presence of humidity, thereby demonstrating fundamental properties for a good quality sensor (speed, reversibility, and selectivity) that make them competitive with respect to systems currently in use. Remarkably, we observed functionality reversal of the organic and inorganic components; that is, in contrast to other hybrids, for ECS-14 the functional site has been ascribed to the inorganic phase while the organic component provided structural stability to the material. The sensing mechanism for humidity was also investigated.

Self-assembly of nucleic acids, silk and hybrid materials thereof.

PubMed

Humenik, Martin; Scheibel, Thomas

2014-12-17

Top-down approaches based on etching techniques have almost reached their limits in terms of dimension. Therefore, novel assembly strategies and types of nanomaterials are required to allow technological advances. Self-assembly processes independent of external energy sources and unlimited in dimensional scaling have become a very promising approach. Here,we highlight recent developments in self-assembled DNA-polymer, silk-polymer and silk-DNA hybrids as promising materials with biotic and abiotic moieties for constructing complex hierarchical materials in ‘bottom-up’ approaches. DNA block copolymers assemble into nanostructures typically exposing a DNA corona which allows functionalization, labeling and higher levels of organization due to its specific addressable recognition properties. In contrast, self-assembly of natural silk proteins as well as their recombinant variants yields mechanically stable β-sheet rich nanostructures. The combination of silk with abiotic polymers gains hybrid materials with new functionalities. Together, the precision of DNA hybridization and robustness of silk fibrillar structures combine in novel conjugates enable processing of higher-order structures with nanoscale architecture and programmable functions.

Functional polymer sheet patterning using microfluidics.

PubMed

Li, Minggan; Humayun, Mouhita; Kozinski, Janusz A; Hwang, Dae Kun

2014-07-22

Poly(dimethylsiloxane) (PDMS)-based microfluidics provide a novel approach to advanced material synthesis. While PDMS has been successfully used in a wide range of industrial applications, due to the weak mechanical property channels generally possess low aspect ratios (AR) and thus produce microparticles with similarly low ARs. By increasing the channel width to nearly 1 cm, AR to 267, and implementing flow lithography, we were able to establish the slit-channel lithography. Not only does this allow us to synthesize sheet materials bearing multiscale features and tunable chemical anisotropy but it also allows us to fabricate functional layered sheet structures in a one-step, high-throughput fashion. We showcased the technique's potential role in various applications, such as the synthesis of planar material with micro- and nanoscale features, surface morphologies, construction of tubular and 3D layered hydrogel tissue scaffolds, and one-step formation of radio frequency identification (RFID) tags. The method introduced offers a novel route to functional sheet material synthesis and sheet system fabrication.

Self-assembly of nucleic acids, silk and hybrid materials thereof

NASA Astrophysics Data System (ADS)

Humenik, Martin; Scheibel, Thomas

2014-12-01

Top-down approaches based on etching techniques have almost reached their limits in terms of dimension. Therefore, novel assembly strategies and types of nanomaterials are required to allow technological advances. Self-assembly processes independent of external energy sources and unlimited in dimensional scaling have become a very promising approach. Here, we highlight recent developments in self-assembled DNA-polymer, silk-polymer and silk-DNA hybrids as promising materials with biotic and abiotic moieties for constructing complex hierarchical materials in ‘bottom-up’ approaches. DNA block copolymers assemble into nanostructures typically exposing a DNA corona which allows functionalization, labeling and higher levels of organization due to its specific addressable recognition properties. In contrast, self-assembly of natural silk proteins as well as their recombinant variants yields mechanically stable β-sheet rich nanostructures. The combination of silk with abiotic polymers gains hybrid materials with new functionalities. Together, the precision of DNA hybridization and robustness of silk fibrillar structures combine in novel conjugates enable processing of higher-order structures with nanoscale architecture and programmable functions.

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

NASA Astrophysics Data System (ADS)

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.

Testing variations of the GW approximation on strongly correlated transition metal oxides: hematite (α-Fe2O3) as a benchmark.

PubMed

Liao, Peilin; Carter, Emily A

2011-09-07

Quantitative characterization of low-lying excited electronic states in materials is critical for the development of solar energy conversion materials. The many-body Green's function method known as the GW approximation (GWA) directly probes states corresponding to photoemission and inverse photoemission experiments, thereby determining the associated band structure. Several versions of the GW approximation with different levels of self-consistency exist in the field. While the GWA based on density functional theory (DFT) works well for conventional semiconductors, less is known about its reliability for strongly correlated semiconducting materials. Here we present a systematic study of the GWA using hematite (α-Fe(2)O(3)) as the benchmark material. We analyze its performance in terms of the calculated photoemission/inverse photoemission band gaps, densities of states, and dielectric functions. Overall, a non-self-consistent G(0)W(0) using input from DFT+U theory produces physical observables in best agreement with experiments. This journal is © the Owner Societies 2011

Recent Applications of 2D Inorganic Nanosheets for Emerging Energy Storage System.

PubMed

Oh, Seung Mi; Patil, Sharad B; Jin, Xiaoyan; Hwang, Seong-Ju

2018-04-03

Among many types of nanostructured inorganic materials, highly anisotropic 2D nanosheets provide unique advantages in designing and synthesizing efficient electrode and electrocatalyst materials for novel energy storage technologies. 2D inorganic nanosheets boast lots of unique characteristics such as high surface area, short ion diffusion path, tailorable compositions, and tunable electronic structures. These merits of 2D inorganic nanosheets render them promising candidate materials as electrodes for diverse secondary batteries and supercapacitors, and electrocatalysts. A wide spectrum of examples is presented for inorganic nanosheet-based electrodes and electrocatalysts. Future perspectives in research about 2D nanosheet-based functional materials are discussed to provide insight for the development of next-generation energy storage systems using 2D nanostructured materials. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evaluation and Validation of Organic Materials for Advanced Stirling Convertors (ASCs): Overview

NASA Technical Reports Server (NTRS)

Shin, Euy-Sik Eugene

2015-01-01

Various organic materials are used as essential parts in Stirling Convertors for their unique properties and functionalities such as bonding, potting, sealing, thread locking, insulation, and lubrication. More efficient Advanced Stirling Convertors (ASC) are being developed for future space applications especially with a long mission cycle, sometimes up to 17 years, such as deep space exploration or lunar surface power or Mars rovers, and others. Thus, performance, durability, and reliability of those organics should be critically evaluated in every possible material-process-fabrication-service environment relations based on their mission specifications. In general, thermal stability, radiation hardness, outgassing, and material compatibility of the selected organics have been systematically evaluated while their process and fabrication conditions and procedures were being optimized. Service environment-simulated long term aging tests up to 4 years were performed as a function of temperature for durability assessment of the most critical organic material systems.

Improved functionality of graphene and carbon nanotube hybrid foam architecture by UV-ozone treatment

NASA Astrophysics Data System (ADS)

Wang, Wei; Ruiz, Isaac; Lee, Ilkeun; Zaera, Francisco; Ozkan, Mihrimah; Ozkan, Cengiz S.

2015-04-01

Optimization of the electrode/electrolyte double-layer interface is a key factor for improving electrode performance of aqueous electrolyte based supercapacitors (SCs). Here, we report the improved functionality of carbon materials via a non-invasive, high-throughput, and inexpensive UV generated ozone (UV-ozone) treatment. This process allows precise tuning of the graphene and carbon nanotube hybrid foam (GM) transitionally from ultrahydrophobic to hydrophilic within 60 s. The continuous tuning of surface energy can be controlled by simply varying the UV-ozone exposure time, while the ozone-oxidized carbon nanostructure maintains its integrity. Symmetric SCs based on the UV-ozone treated GM foam demonstrated enhanced rate performance. This technique can be readily applied to other CVD-grown carbonaceous materials by taking advantage of its ease of processing, low cost, scalability, and controllability.Optimization of the electrode/electrolyte double-layer interface is a key factor for improving electrode performance of aqueous electrolyte based supercapacitors (SCs). Here, we report the improved functionality of carbon materials via a non-invasive, high-throughput, and inexpensive UV generated ozone (UV-ozone) treatment. This process allows precise tuning of the graphene and carbon nanotube hybrid foam (GM) transitionally from ultrahydrophobic to hydrophilic within 60 s. The continuous tuning of surface energy can be controlled by simply varying the UV-ozone exposure time, while the ozone-oxidized carbon nanostructure maintains its integrity. Symmetric SCs based on the UV-ozone treated GM foam demonstrated enhanced rate performance. This technique can be readily applied to other CVD-grown carbonaceous materials by taking advantage of its ease of processing, low cost, scalability, and controllability. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr06795a

Neutron spectroscopy with scintillation detectors using wavelets

NASA Astrophysics Data System (ADS)

Hartman, Jessica

The purpose of this research was to study neutron spectroscopy using the EJ-299-33A plastic scintillator. This scintillator material provided a novel means of detection for fast neutrons, without the disadvantages of traditional liquid scintillation materials. EJ-299-33A provided a more durable option to these materials, making it less likely to be damaged during handling. Unlike liquid scintillators, this plastic scintillator was manufactured from a non-toxic material, making it safer to use, as well as easier to design detectors. The material was also manufactured with inherent pulse shape discrimination abilities, making it suitable for use in neutron detection. The neutron spectral unfolding technique was developed in two stages. Initial detector response function modeling was carried out through the use of the MCNPX Monte Carlo code. The response functions were developed for a monoenergetic neutron flux. Wavelets were then applied to smooth the response function. The spectral unfolding technique was applied through polynomial fitting and optimization techniques in MATLAB. Verification of the unfolding technique was carried out through the use of experimentally determined response functions. These were measured on the neutron source based on the Van de Graff accelerator at the University of Kentucky. This machine provided a range of monoenergetic neutron beams between 0.1 MeV and 24 MeV, making it possible to measure the set of response functions of the EJ-299-33A plastic scintillator detector to neutrons of specific energies. The response of a plutonium-beryllium (PuBe) source was measured using the source available at the University of Nevada, Las Vegas. The neutron spectrum reconstruction was carried out using the experimentally measured response functions. Experimental data was collected in the list mode of the waveform digitizer. Post processing of this data focused on the pulse shape discrimination analysis of the recorded response functions to remove the effects of photons and allow for source characterization based solely on the neutron response. The unfolding technique was performed through polynomial fitting and optimization techniques in MATLAB, and provided an energy spectrum for the PuBe source.

The Living Textbook of Nuclear Chemistry: A Peer-Reviewed, Web-Based, Education Resource

ERIC Educational Resources Information Center

Loveland, W.; Gallant, A.; Joiner, C.

2004-01-01

The recent developments in nuclear chemistry education are presented and an attempt is made to collect supplemental materials relating to the study and practice of nuclear chemistry. The Living Textbook of Nuclear Chemistry functions as an authoritative Web site with supplemental material for teaching nuclear and radiochemistry.

A Robust, Water-Based, Functional Binder Framework for High-Energy Lithium-Sulfur Batteries.

PubMed

Lacey, Matthew J; Österlund, Viking; Bergfelt, Andreas; Jeschull, Fabian; Bowden, Tim; Brandell, Daniel

2017-07-10

We report here a water-based functional binder framework for the lithium-sulfur battery systems, based on the general combination of a polyether and an amide-containing polymer. These binders are applied to positive electrodes optimised towards high-energy electrochemical performance based only on commercially available materials. Electrodes with up to 4 mAh cm -2 capacity and 97-98 % coulombic efficiency are achievable in electrodes with a 65 % total sulfur content and a poly(ethylene oxide):poly(vinylpyrrolidone) (PEO:PVP) binder system. Exchange of either binder component for a different polymer with similar functionality preserves the high capacity and coulombic efficiency. The improvement in coulombic efficiency from the inclusion of the coordinating amide group was also observed in electrodes where pyrrolidone moieties were covalently grafted to the carbon black, indicating the role of this functionality in facilitating polysulfide adsorption to the electrode surface. The mechanical properties of the electrodes appear not to significantly influence sulfur utilisation or coulombic efficiency in the short term but rather determine retention of these properties over extended cycling. These results demonstrate the robustness of this very straightforward approach, as well as the considerable scope for designing binder materials with targeted properties. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Study of thermo-fluidic behavior of micro-droplet in inkjet-based micro manufacturing processes

NASA Astrophysics Data System (ADS)

Das, Raju; Mahapatra, Abhijit; Ball, Amit Kumar; Roy, Shibendu Shekhar; Murmu, Naresh Chandra

2017-06-01

Inkjet printing technology, a maskless, non-contact patterning operation, which has been a revelation in the field of micro and nano manufacturing for its use in the selective deposition of desired materials. It is becoming an exciting alternative technology such as lithography to print functional material on to a substrate. Selective deposition of functional materials on desired substrates is a basic requirement in many of the printing based micro and nano manufacturing operations like the fabrication of microelectronic devices, solar cell, Light-emitting Diode (LED) research fields like pharmaceutical industries for drug discovery purposes and in biotechnology to make DNA microarrays. In this paper, an attempt has been made to design and develop an indigenous Electrohydrodynamic Inkjet printing system for micro fabrication and to study the interrelationships between various thermos-fluidic parameters of the ink material in the printing process. The effect of printing process parameters on printing performance characteristics has also been studied. And the applicability of the process has also been experimentally demonstrated. The experimentally found results were quite satisfactory and accordance to its applicability.

Design of virus-based nanomaterials for medicine, biotechnology, and energy

PubMed Central

Wen, Amy M.; Steinmetz, Nicole F.

2016-01-01

Virus-based nanomaterials are versatile materials that naturally self-assemble and have relevance for a broad range of applications including medicine, biotechnology, and energy. This review provides an overview of recent developments in “chemical virology.” Viruses, as materials, provide unique nanoscale scaffolds that have relevance in chemical biology and nanotechnology, with diverse areas of applications. Some fundamental advantages of viruses, compared to synthetically programmed materials, include the highly precise spatial arrangement of their subunits into a diverse array of shapes and sizes and many available avenues for easy and reproducible modification. Here, we will first survey the broad distribution of viruses and various methods for producing virus-based nanoparticles, as well as engineering principles used to impart new functionalities. We will then examine the broad range of applications and implications of virus-based materials, focusing on the medical, biotechnology, and energy sectors. We anticipate that this field will continue to evolve and grow, with exciting new possibilities stemming from advancements in the rational design of virus-based nanomaterials. PMID:27152673

Materials Discovery via CALYPSO Methodology

NASA Astrophysics Data System (ADS)

Ma, Yanming

2014-03-01

Materials design has been the subject of topical interests in materials and physical sciences for long. Atomistic structures of materials occupy a central and often critical role, when establishing a correspondence between materials performance and their basic compositions. Theoretical prediction of atomistic structures of materials with the only given information of chemical compositions becomes crucially important, but it is extremely difficult as it basically involves in classifying a huge number of energy minima on the lattice energy surface. To tackle the problems, we have developed an efficient CALYPSO (Crystal structural AnLYsis by Particle Swarm Optimization) approach for structure prediction from scratch based on particle swarm optimization algorithm by taking the advantage of swarm intelligence and the spirit of structures smart learning. The method has been coded into CALYPSO software (http://www.calypso.cn) which is free for academic use. Currently, CALYPSO method is able to predict structures of three-dimensional crystals, isolated clusters or molecules, surface reconstructions, and two-dimensional layers. The applications of CALYPSO into purposed materials design of layered materials, high-pressure superconductors, and superhard materials were successfully made. Our design of superhard materials introduced a useful scheme, where the hardness value has been employed as the fitness function. This strategy might also be applicable into design of materials with other desired functional properties (e.g., thermoelectric figure of merit, topological Z2 number, etc.). For such a structural design, a well-understood structure to property formulation is required, by which functional properties of materials can be easily acquired at given structures. An emergent application is seen on design of photocatalyst materials.

Integrated polymer-based Mach-Zehnder interferometer label-free streptavidin biosensor compatible with injection molding.

PubMed

Bruck, R; Melnik, E; Muellner, P; Hainberger, R; Lämmerhofer, M

2011-05-15

We report the development of a Mach-Zehnder interferometer biosensor based on a high index contrast polymer material system and the demonstration of label-free online measurement of biotin-streptavidin binding on the sensor surface. The surface of the polyimide waveguide core layer was functionalized with 3-mercaptopropyl trimethoxy silane and malemide tagged biotin. Several concentrations of Chromeon 642-streptavidin dissolved in phosphate buffered saline solution were rinsed over the functionalized sensor surface by means of a fluidic system and the biotin-streptavidin binding process was observed in the output signal of the interferometer at a wavelength of 1310 nm. Despite the large wavelength and the comparatively low surface sensitivity of the sensor system due to the low index contrast in polymer material systems compared to inorganic material systems, we were able to resolve streptavidin concentrations of down to 0.1 μg/ml. The polymer-based optical sensor design is fully compatible with cost-efficient mass production technologies such as injection molding and spin coating, which makes it an attractive alternative to inorganic optical sensors. Copyright © 2011 Elsevier B.V. All rights reserved.

Colloidal-based additive manufacturing of bio-inspired composites

NASA Astrophysics Data System (ADS)

Studart, Andre R.

Composite materials in nature exhibit heterogeneous architectures that are tuned to fulfill the functional demands of the surrounding environment. Examples range from the cellulose-based organic structure of plants to highly mineralized collagen-based skeletal parts like bone and teeth. Because they are often utilized to combine opposing properties such as strength and low-density or stiffness and wear resistance, the heterogeneous architecture of natural materials can potentially address several of the technical limitations of artificial homogeneous composites. However, current man-made manufacturing technologies do not allow for the level of composition and fiber orientation control found in natural heterogeneous systems. In this talk, I will present two additive manufacturing technologies recently developed in our group to build composites with exquisite architectures only rivaled by structures made by living organisms in nature. Since the proposed techniques utilize colloidal suspensions as feedstock, understanding the physics underlying the stability, assembly and rheology of the printing inks is key to predict and control the architecture of manufactured parts. Our results will show that additive manufacturing routes offer a new exciting pathway for the fabrication of biologically-inspired composite materials with unprecedented architectures and functionalities.

Optical Property Requirements for Glasses, Ceramics and Plastics in Spacecraft Window Systems

NASA Technical Reports Server (NTRS)

Estes, Lynda

2011-01-01

This is a preliminary draft of a standard published by the National Aeronautics and Space Administration (NASA) Johnson Space Center (JSC) that is intended to provide uniform window optical design requirements in support of the development of human-rated spaceflight hardware. The material covered in this standard is based on data from extensive testing by the Advanced Sensing and Optical Measurement Branch at NASA Langley Research Center, and compiled into requirements format by the NASA JSC Structural Engineering Division. At the time of this initial document release, a broader technical community has not reviewed this standard. The technical content of this standard is primarily based on the Constellation Program Orion Crew Exploration Vehicle Window Optical Properties Requirements, CxP 72407, Baseline. Unlike other optical requirements documents available for human rated spacecraft, this document includes requirements that ensure functionality for windows that contain glass/ceramic and/or plastic window substrate materials. These requirements were derived by measuring the optical properties of fused silica and aluminosilicate glass window assemblies and ensuring that the performance of any window assembly that includes a plastic pane or panes will meet the performance level of the all-glass assemblies. The resulting requirements are based upon the performance and parameter metrology testing of a variety of materials, including glass, transparent ceramics, acrylics, and polycarbonates. In general, these requirements are minimum specifications for each optical parameter in order to achieve the function specified for each functional category, A through D. Because acrylic materials perform at a higher level than polycarbonates in the optics regime, and CxP/Orion is planning to use acrylic in the Orion spacecraft, these requirements are based heavily on metrology from that material. As a result, two of the current Category D requirements for plastics are cited in such a way that will result in the screening out of polycarbonates. It is acknowledged that many polycarbonates can perform the functions of Category D, such as piloting and imagery with lens with apertures up to 25mm, without performance issues. Therefore, this forward warns users that certain requirements, such as birefringence and wavefront, for Category D plastics need to be revised to allow those polycarbonates that perform adequately in Category D to be accepted, while at the same time, screen out those materials that do not perform up to par. At the time of document release, the requirements in question have been identified by a TBD beside the proposed requirement criteria (which is based upon acrylic performance). Vehicles that are designed with acrylic materials for windowpanes are encouraged to use the values presented in this document for all requirements, in order to ensure adequate optical performance.

Propagation of ultrasonic Love waves in nonhomogeneous elastic functionally graded materials.

PubMed

Kiełczyński, P; Szalewski, M; Balcerzak, A; Wieja, K

2016-02-01

This paper presents a theoretical study of the propagation behavior of ultrasonic Love waves in nonhomogeneous functionally graded elastic materials, which is a vital problem in the mechanics of solids. The elastic properties (shear modulus) of a semi-infinite elastic half-space vary monotonically with the depth (distance from the surface of the material). The Direct Sturm-Liouville Problem that describes the propagation of Love waves in nonhomogeneous elastic functionally graded materials is formulated and solved by using two methods: i.e., (1) Finite Difference Method, and (2) Haskell-Thompson Transfer Matrix Method. The dispersion curves of phase and group velocity of surface Love waves in inhomogeneous elastic graded materials are evaluated. The integral formula for the group velocity of Love waves in nonhomogeneous elastic graded materials has been established. The effect of elastic non-homogeneities on the dispersion curves of Love waves is discussed. Two Love wave waveguide structures are analyzed: (1) a nonhomogeneous elastic surface layer deposited on a homogeneous elastic substrate, and (2) a semi-infinite nonhomogeneous elastic half-space. Obtained in this work, the phase and group velocity dispersion curves of Love waves propagating in the considered nonhomogeneous elastic waveguides have not previously been reported in the scientific literature. The results of this paper may give a deeper insight into the nature of Love waves propagation in elastic nonhomogeneous functionally graded materials, and can provide theoretical guidance for the design and optimization of Love wave based devices. Copyright © 2015 Elsevier B.V. All rights reserved.

Diversity and functions of bacterial community in drinking water biofilms revealed by high-throughput sequencing

PubMed Central

Chao, Yuanqing; Mao, Yanping; Wang, Zhiping; Zhang, Tong

2015-01-01

The development of biofilms in drinking water (DW) systems may cause various problems to water quality. To investigate the community structure of biofilms on different pipe materials and the global/specific metabolic functions of DW biofilms, PCR-based 454 pyrosequencing data for 16S rRNA genes and Illumina metagenomic data were generated and analysed. Considerable differences in bacterial diversity and taxonomic structure were identified between biofilms formed on stainless steel and biofilms formed on plastics, indicating that the metallic materials facilitate the formation of higher diversity biofilms. Moreover, variations in several dominant genera were observed during biofilm formation. Based on PCA analysis, the global functions in the DW biofilms were similar to other DW metagenomes. Beyond the global functions, the occurrences and abundances of specific protective genes involved in the glutathione metabolism, the SoxRS system, the OxyR system, RpoS regulated genes, and the production/degradation of extracellular polymeric substances were also evaluated. A near-complete and low-contamination draft genome was constructed from the metagenome of the DW biofilm, based on the coverage and tetranucleotide frequencies, and identified as a Bradyrhizobiaceae-like bacterium according to a phylogenetic analysis. Our findings provide new insight into DW biofilms, especially in terms of their metabolic functions. PMID:26067561

Diversity and functions of bacterial community in drinking water biofilms revealed by high-throughput sequencing

NASA Astrophysics Data System (ADS)

Chao, Yuanqing; Mao, Yanping; Wang, Zhiping; Zhang, Tong

2015-06-01

The development of biofilms in drinking water (DW) systems may cause various problems to water quality. To investigate the community structure of biofilms on different pipe materials and the global/specific metabolic functions of DW biofilms, PCR-based 454 pyrosequencing data for 16S rRNA genes and Illumina metagenomic data were generated and analysed. Considerable differences in bacterial diversity and taxonomic structure were identified between biofilms formed on stainless steel and biofilms formed on plastics, indicating that the metallic materials facilitate the formation of higher diversity biofilms. Moreover, variations in several dominant genera were observed during biofilm formation. Based on PCA analysis, the global functions in the DW biofilms were similar to other DW metagenomes. Beyond the global functions, the occurrences and abundances of specific protective genes involved in the glutathione metabolism, the SoxRS system, the OxyR system, RpoS regulated genes, and the production/degradation of extracellular polymeric substances were also evaluated. A near-complete and low-contamination draft genome was constructed from the metagenome of the DW biofilm, based on the coverage and tetranucleotide frequencies, and identified as a Bradyrhizobiaceae-like bacterium according to a phylogenetic analysis. Our findings provide new insight into DW biofilms, especially in terms of their metabolic functions.

Diversity and functions of bacterial community in drinking water biofilms revealed by high-throughput sequencing.

PubMed

Chao, Yuanqing; Mao, Yanping; Wang, Zhiping; Zhang, Tong

2015-06-12

The development of biofilms in drinking water (DW) systems may cause various problems to water quality. To investigate the community structure of biofilms on different pipe materials and the global/specific metabolic functions of DW biofilms, PCR-based 454 pyrosequencing data for 16S rRNA genes and Illumina metagenomic data were generated and analysed. Considerable differences in bacterial diversity and taxonomic structure were identified between biofilms formed on stainless steel and biofilms formed on plastics, indicating that the metallic materials facilitate the formation of higher diversity biofilms. Moreover, variations in several dominant genera were observed during biofilm formation. Based on PCA analysis, the global functions in the DW biofilms were similar to other DW metagenomes. Beyond the global functions, the occurrences and abundances of specific protective genes involved in the glutathione metabolism, the SoxRS system, the OxyR system, RpoS regulated genes, and the production/degradation of extracellular polymeric substances were also evaluated. A near-complete and low-contamination draft genome was constructed from the metagenome of the DW biofilm, based on the coverage and tetranucleotide frequencies, and identified as a Bradyrhizobiaceae-like bacterium according to a phylogenetic analysis. Our findings provide new insight into DW biofilms, especially in terms of their metabolic functions.

Parameter estimation of a nonlinear Burger's model using nanoindentation and finite element-based inverse analysis

NASA Astrophysics Data System (ADS)

Hamim, Salah Uddin Ahmed

Nanoindentation involves probing a hard diamond tip into a material, where the load and the displacement experienced by the tip is recorded continuously. This load-displacement data is a direct function of material's innate stress-strain behavior. Thus, theoretically it is possible to extract mechanical properties of a material through nanoindentation. However, due to various nonlinearities associated with nanoindentation the process of interpreting load-displacement data into material properties is difficult. Although, simple elastic behavior can be characterized easily, a method to characterize complicated material behavior such as nonlinear viscoelasticity is still lacking. In this study, a nanoindentation-based material characterization technique is developed to characterize soft materials exhibiting nonlinear viscoelasticity. Nanoindentation experiment was modeled in finite element analysis software (ABAQUS), where a nonlinear viscoelastic behavior was incorporated using user-defined subroutine (UMAT). The model parameters were calibrated using a process called inverse analysis. In this study, a surrogate model-based approach was used for the inverse analysis. The different factors affecting the surrogate model performance are analyzed in order to optimize the performance with respect to the computational cost.

Thermal Properties of Cement-Based Composites for Geothermal Energy Applications.

PubMed

Bao, Xiaohua; Memon, Shazim Ali; Yang, Haibin; Dong, Zhijun; Cui, Hongzhi

2017-04-27

Geothermal energy piles are a quite recent renewable energy technique where geothermal energy in the foundation of a building is used to transport and store geothermal energy. In this paper, a structural-functional integrated cement-based composite, which can be used for energy piles, was developed using expanded graphite and graphite nanoplatelet-based composite phase change materials (CPCMs). Its mechanical properties, thermal-regulatory performance, and heat of hydration were evaluated. Test results showed that the compressive strength of GNP-Paraffin cement-based composites at 28 days was more than 25 MPa. The flexural strength and density of thermal energy storage cement paste composite decreased with increases in the percentage of CPCM in the cement paste. The infrared thermal image analysis results showed superior thermal control capability of cement based materials with CPCMs. Hence, the carbon-based CPCMs are promising thermal energy storage materials and can be used to improve the durability of energy piles.

Thermal Properties of Cement-Based Composites for Geothermal Energy Applications

PubMed Central

Bao, Xiaohua; Memon, Shazim Ali; Yang, Haibin; Dong, Zhijun; Cui, Hongzhi

2017-01-01

Geothermal energy piles are a quite recent renewable energy technique where geothermal energy in the foundation of a building is used to transport and store geothermal energy. In this paper, a structural–functional integrated cement-based composite, which can be used for energy piles, was developed using expanded graphite and graphite nanoplatelet-based composite phase change materials (CPCMs). Its mechanical properties, thermal-regulatory performance, and heat of hydration were evaluated. Test results showed that the compressive strength of GNP-Paraffin cement-based composites at 28 days was more than 25 MPa. The flexural strength and density of thermal energy storage cement paste composite decreased with increases in the percentage of CPCM in the cement paste. The infrared thermal image analysis results showed superior thermal control capability of cement based materials with CPCMs. Hence, the carbon-based CPCMs are promising thermal energy storage materials and can be used to improve the durability of energy piles. PMID:28772823

Dual-Phase Lock-In Amplifier Based on FPGA for Low-Frequencies Experiments

PubMed Central

Macias-Bobadilla, Gonzalo; Rodríguez-Reséndiz, Juvenal; Mota-Valtierra, Georgina; Soto-Zarazúa, Genaro; Méndez-Loyola, Maurino; Garduño-Aparicio, Mariano

2016-01-01

Photothermal techniques allow the detection of characteristics of material without invading it. Researchers have developed hardware for some specific Phase and Amplitude detection (Lock-In Function) applications, eliminating space and unnecessary electronic functions, among others. This work shows the development of a Digital Lock-In Amplifier based on a Field Programmable Gate Array (FPGA) for low-frequency applications. This system allows selecting and generating the appropriated frequency depending on the kind of experiment or material studied. The results show good frequency stability in the order of 1.0 × 10−9 Hz, which is considered good linearity and repeatability response for the most common Laboratory Amplitude and Phase Shift detection devices, with a low error and standard deviation. PMID:26999138

An all-solid-state perovskite-sensitized solar cell based on the dual function polyaniline as the sensitizer and p-type hole-transporting material

NASA Astrophysics Data System (ADS)

Xiao, Yaoming; Han, Gaoyi; Chang, Yunzhen; Zhou, Haihan; Li, Miaoyu; Li, Yanping

2014-12-01

High performance dual function of polyaniline (PANI) with brachyplast structure is synthesized by using a two-step cyclic voltammetry (CV) approach onto the fluorinated tin oxide (FTO) glass substrate, which acts as the sensitizer and p-type hole-transporting material (p-HTM) for the all-solid-state perovskite-sensitized solar cell (ass-PSSC) due to its π-π* transition and the localized polaron. The ass-PSSC based on the PANI delivers a photovoltaic conversion efficiency of 7.34%, and reduces from 7.34% to 6.71% after 1000 h, thereby 91.42% of the energy conversion efficiency is kept, indicating the device has a good long-term stability.

Dual-Phase Lock-In Amplifier Based on FPGA for Low-Frequencies Experiments.

PubMed

Macias-Bobadilla, Gonzalo; Rodríguez-Reséndiz, Juvenal; Mota-Valtierra, Georgina; Soto-Zarazúa, Genaro; Méndez-Loyola, Maurino; Garduño-Aparicio, Mariano

2016-03-16

Photothermal techniques allow the detection of characteristics of material without invading it. Researchers have developed hardware for some specific Phase and Amplitude detection (Lock-In Function) applications, eliminating space and unnecessary electronic functions, among others. This work shows the development of a Digital Lock-In Amplifier based on a Field Programmable Gate Array (FPGA) for low-frequency applications. This system allows selecting and generating the appropriated frequency depending on the kind of experiment or material studied. The results show good frequency stability in the order of 1.0 × 10(-9) Hz, which is considered good linearity and repeatability response for the most common Laboratory Amplitude and Phase Shift detection devices, with a low error and standard deviation.

Multifunctional carbon nano-paper composite

NASA Astrophysics Data System (ADS)

Zhang, Zhichun; Chu, Hetao; Wang, Kuiwen; Liu, Yanjv; Leng, Jinsong

2013-08-01

Carbon Nanotube (CNT), for its excellent mechanical, electrical properties and nano size, large special surface physical property, become the most promising material. But carbon nanotube can still fabricated in micro dimension, and can't be made into macro size, so to the carbon nanotube filled composite can't explore the properties of the CNT. Carbon nano-paper is made of pure CNT, with micro pore, and it turn micro sized CNT into macro shaped membrane. Based on the piezo-resistivity and electrical conductivity of the carbon nano-paper, we used the carbon nano-paper as functional layers fabricate functional composite, and studies its strain sensing, composite material deicing and shape memory polymer (SMP) material electric actuation performance. The results shown that the resin can pregnant the nano paper, and there was good bond for nano paper and composite. The functional composite can monitoring the strain with high sensitivity comparing to foil strain gauge. The functional composite can be heated via the carbon nano paper with low power supply and high heating rate. The composite has good deicing and heat actuation performance to composite material. For the good strain sensing, electric conductivity and self-heating character of the carbon nano-paper composite, it can be used for self sensing, anti lightning strike and deicing of composite materials in aircrafts and wind turbine blades.

Molecular biomimetics: GEPI-based biological routes to technology.

PubMed

Tamerler, Candan; Khatayevich, Dmitriy; Gungormus, Mustafa; Kacar, Turgay; Oren, E Emre; Hnilova, Marketa; Sarikaya, Mehmet

2010-01-01

In nature, the viability of biological systems is sustained via specific interactions among the tens of thousands of proteins, the major building blocks of organisms from the simplest single-celled to the most complex multicellular species. Biomolecule-material interaction is accomplished with molecular specificity and efficiency leading to the formation of controlled structures and functions at all scales of dimensional hierarchy. Through evolution, Mother Nature developed molecular recognition by successive cycles of mutation and selection. Molecular specificity of probe-target interactions, e.g., ligand-receptor, antigen-antibody, is always based on specific peptide molecular recognition. Using biology as a guide, we can now understand, engineer, and control peptide-material interactions and exploit them as a new design tool for novel materials and systems. We adapted the protocols of combinatorially designed peptide libraries, via both cell surface or phage display methods; using these we select short peptides with specificity to a variety of practical materials. These genetically engineered peptides for inorganics (GEPI) are then studied experimentally to establish their binding kinetics and surface stability. The bound peptide structure and conformations are interrogated both experimentally and via modeling, and self-assembly characteristics are tested via atomic force microscopy. We further engineer the peptide binding and assembly characteristics using a computational biomimetics approach where bioinformatics based peptide-sequence similarity analysis is developed to design higher generation function-specific peptides. The molecular biomimetic approach opens up new avenues for the design and utilization of multifunctional molecular systems in a wide-range of applications from tissue engineering, disease diagnostics, and therapeutics to various areas of nanotechnology where integration is required among inorganic, organic and biological materials. Here, we describe lessons from biology with examples of protein-mediated functional biological materials, explain how novel peptides can be designed with specific affinity to inorganic solids using evolutionary engineering approaches, give examples of their potential utilizations in technology and medicine, and, finally, provide a summary of challenges and future prospects. (c) 2010 Wiley Periodicals, Inc.

Organic-Inorganic Hybrid Materials: Multi-Functional Solids for Multi-Step Reaction Processes.

PubMed

Díaz, Urbano; Corma, Avelino

2018-03-15

The design of new hybrid materials with tailored properties at the nano-, meso-, and macro-scale, with the use of structural functional nanobuilding units, is carried out to obtain specific multi-functional materials. Organization into controlled 1D, 2D, and 3D architectures with selected functionalities is key for developing advanced catalysts, but this is hardly accomplished using conventional synthesis procedures. The use of pre-formed nanostructures, derived either from known materials or made with specific innovative synthetic methodologies, has enormous potential in the generation of multi-site catalytic materials for one-pot processes. The present concept article introduces a new archetype wherein self-assembled nanostructured builder units are the base for the design of multifunctional catalysts, which combine catalytic efficiency with fast reactant and product diffusion. The article addresses a new generation of versatile hybrid organic-inorganic multi-site catalytic materials for their use in the production of (chiral) high-added-value products within the scope of chemicals and fine chemicals production. The use of those multi-reactive solids for more nanotechnological applications, such as sensors, due to the inclusion of electron donor-acceptor structural arrays is also considered, together with the adsorption-desorption capacities due to the combination of hydrophobic and hydrophilic sub-domains. The innovative structured hybrid materials for multipurpose processes here considered, can allow the development of multi-stage one-pot reactions with industrial applications, using the materials as one nanoreactor systems, favoring more sustainable production pathways with economic, environmental and energetic advantages. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Advancing density functional theory to finite temperatures: methods and applications in steel design

NASA Astrophysics Data System (ADS)

Hickel, T.; Grabowski, B.; Körmann, F.; Neugebauer, J.

2012-02-01

The performance of materials such as steels, their high strength and formability, is based on an impressive variety of competing mechanisms on the microscopic/atomic scale (e.g. dislocation gliding, solid solution hardening, mechanical twinning or structural phase transformations). Whereas many of the currently available concepts to describe these mechanisms are based on empirical and experimental data, it becomes more and more apparent that further improvement of materials needs to be based on a more fundamental level. Recent progress for methods based on density functional theory (DFT) now makes the exploration of chemical trends, the determination of parameters for phenomenological models and the identification of new routes for the optimization of steel properties feasible. A major challenge in applying these methods to a true materials design is, however, the inclusion of temperature-driven effects on the desired properties. Therefore, a large range of computational tools has been developed in order to improve the capability and accuracy of first-principles methods in determining free energies. These combine electronic, vibrational and magnetic effects as well as structural defects in an integrated approach. Based on these simulation tools, one is now able to successfully predict mechanical and thermodynamic properties of metals with a hitherto not achievable accuracy.

Advancing density functional theory to finite temperatures: methods and applications in steel design.

PubMed

Hickel, T; Grabowski, B; Körmann, F; Neugebauer, J

2012-02-08

The performance of materials such as steels, their high strength and formability, is based on an impressive variety of competing mechanisms on the microscopic/atomic scale (e.g. dislocation gliding, solid solution hardening, mechanical twinning or structural phase transformations). Whereas many of the currently available concepts to describe these mechanisms are based on empirical and experimental data, it becomes more and more apparent that further improvement of materials needs to be based on a more fundamental level. Recent progress for methods based on density functional theory (DFT) now makes the exploration of chemical trends, the determination of parameters for phenomenological models and the identification of new routes for the optimization of steel properties feasible. A major challenge in applying these methods to a true materials design is, however, the inclusion of temperature-driven effects on the desired properties. Therefore, a large range of computational tools has been developed in order to improve the capability and accuracy of first-principles methods in determining free energies. These combine electronic, vibrational and magnetic effects as well as structural defects in an integrated approach. Based on these simulation tools, one is now able to successfully predict mechanical and thermodynamic properties of metals with a hitherto not achievable accuracy.

Looking into the Future: Toward Advanced 3D Biomaterials for Stem-Cell-Based Regenerative Medicine.

PubMed

Liu, Zhongmin; Tang, Mingliang; Zhao, Jinping; Chai, Renjie; Kang, Jiuhong

2018-04-01

Stem-cell-based therapies have the potential to provide novel solutions for the treatment of a variety of diseases, but the main obstacles to such therapies lie in the uncontrolled differentiation and functional engraftment of implanted tissues. The physicochemical microenvironment controls the self-renewal and differentiation of stem cells, and the key step in mimicking the stem cell microenvironment is to construct a more physiologically relevant 3D culture system. Material-based 3D assemblies of stem cells facilitate the cellular interactions that promote morphogenesis and tissue organization in a similar manner to that which occurs during embryogenesis. Both natural and artificial materials can be used to create 3D scaffolds, and synthetic organic and inorganic porous materials are the two main kinds of artificial materials. Nanotechnology provides new opportunities to design novel advanced materials with special physicochemical properties for 3D stem cell culture and transplantation. Herein, the advances and advantages of 3D scaffold materials, especially with respect to stem-cell-based therapies, are first outlined. Second, the stem cell biology in 3D scaffold materials is reviewed. Third, the progress and basic principles of developing 3D scaffold materials for clinical applications in tissue engineering and regenerative medicine are reviewed. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling the Behaviour of an Advanced Material Based Smart Landing Gear System for Aerospace Vehicles

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

Varughese, Byji; Dayananda, G. N.; Rao, M. Subba

2008-07-29

The last two decades have seen a substantial rise in the use of advanced materials such as polymer composites for aerospace structural applications. In more recent years there has been a concerted effort to integrate materials, which mimic biological functions (referred to as smart materials) with polymeric composites. Prominent among smart materials are shape memory alloys, which possess both actuating and sensory functions that can be realized simultaneously. The proper characterization and modeling of advanced and smart materials holds the key to the design and development of efficient smart devices/systems. This paper focuses on the material characterization; modeling and validationmore » of the model in relation to the development of a Shape Memory Alloy (SMA) based smart landing gear (with high energy dissipation features) for a semi rigid radio controlled airship (RC-blimp). The Super Elastic (SE) SMA element is configured in such a way that it is forced into a tensile mode of high elastic deformation. The smart landing gear comprises of a landing beam, an arch and a super elastic Nickel-Titanium (Ni-Ti) SMA element. The landing gear is primarily made of polymer carbon composites, which possess high specific stiffness and high specific strength compared to conventional materials, and are therefore ideally suited for the design and development of an efficient skid landing gear system with good energy dissipation characteristics. The development of the smart landing gear in relation to a conventional metal landing gear design is also dealt with.« less

Recent Advances in Polymeric Materials Used as Electron Mediators and Immobilizing Matrices in Developing Enzyme Electrodes

PubMed Central

Moyo, Mambo; Okonkwo, Jonathan O.; Agyei, Nana M.

2012-01-01

Different classes of polymeric materials such as nanomaterials, sol-gel materials, conducting polymers, functional polymers and biomaterials have been used in the design of sensors and biosensors. Various methods have been used, for example from direct adsorption, covalent bonding, crossing-linking with glutaraldehyde on composites to mixing the enzymes or use of functionalized beads for the design of sensors and biosensors using these polymeric materials in recent years. It is widely acknowledged that analytical sensing at electrodes modified with polymeric materials results in low detection limits, high sensitivities, lower applied potential, good stability, efficient electron transfer and easier immobilization of enzymes on electrodes such that sensing and biosensing of environmental pollutants is made easier. However, there are a number of challenges to be addressed in order to fulfill the applications of polymeric based polymers such as cost and shortening the long laboratory synthetic pathways involved in sensor preparation. Furthermore, the toxicological effects on flora and fauna of some of these polymeric materials have not been well studied. Given these disadvantages, efforts are now geared towards introducing low cost biomaterials that can serve as alternatives for the development of novel electrochemical sensors and biosensors. This review highlights recent contributions in the development of the electrochemical sensors and biosensors based on different polymeric material. The synergistic action of some of these polymeric materials and nanocomposites imposed when combined on electrode during sensing is discussed. PMID:22368503

Feasibility on Ultrasonic Velocity using Contact and Non-Contact Nondestructive Techniques for Carbon/Carbon Composites

NASA Astrophysics Data System (ADS)

Im, K. H.; Chang, M.; Hsu, D. K.; Song, S. J.; Cho, H.; Park, J. W.; Kweon, Y. S.; Sim, J. K.; Yang, I. Y.

2007-03-01

Advanced materials are to be required to have specific functions associated with extremely environments. One of them is carbon/carbon(C/C) composite material, which has obvious advantages over conventional materials. The C/Cs have become to be utilized as parts of aerospace applications and its low density, high thermal conductivity and excellent mechanical properties at elevated temperatures make it an ideal material for aircraft brake disks. Because of permeation of coupling medium such as water, it is desirable to perform contact-less nondestructive evaluation to assess material properties and part homogeneity. In this work, a C/C composite material was characterized with non-contact and contact ultrasonic methods using a scanner with automatic-data acquisition function. Also through transmission mode was performed because of the main limitation for air-coupled transducers, which is the acoustic impedance mismatch between most materials and air. Especially ultrasonic images and velocities for C/C composite disk brake were compared and found to be consistent to some degree with the non-contact and contact ultrasonic measurement methods. Low frequency through-transmission scans based on both amplitude of the ultrasonic pulse was used for mapping out the material property inhomogeneity. Measured results were compared with those obtained by the dry-coupling ultrasonic UT system and through transmission method in immersion. Finally, feasibility has been found to measure and compare ultrasonic velocities of C/C composites with using the contact/noncontact peak-delay measurement method based on the pulse overlap method.

Crack propagation in functionally graded strip under thermal shock

NASA Astrophysics Data System (ADS)

Ivanov, I. V.; Sadowski, T.; Pietras, D.

2013-09-01

The thermal shock problem in a strip made of functionally graded composite with an interpenetrating network micro-structure of Al2O3 and Al is analysed numerically. The material considered here could be used in brake disks or cylinder liners. In both applications it is subjected to thermal shock. The description of the position-dependent properties of the considered functionally graded material are based on experimental data. Continuous functions were constructed for the Young's modulus, thermal expansion coefficient, thermal conductivity and thermal diffusivity and implemented as user-defined material properties in user-defined subroutines of the commercial finite element software ABAQUS™. The thermal stress and the residual stress of the manufacturing process distributions inside the strip are considered. The solution of the transient heat conduction problem for thermal shock is used for crack propagation simulation using the XFEM method. The crack length developed during the thermal shock is the criterion for crack resistance of the different graduation profiles as a step towards optimization of the composition gradient with respect to thermal shock sensitivity.

Textile electrodes and integrated smart textile for reliable biomonitoring.

PubMed

Paradiso, R; Pacelli, M

2011-01-01

Since birth the first and the most natural interface for the body is fabric, a soft, warm and reassuring material. Cloth is usually covering more than 80 % of the skin; which leads us to consider textile material as the most appropriate interface where new sensorial and interactive functions can be implemented. The new generation of personalised monitoring systems is based on this paradigm: functions like sensing, transmission and elaboration are implementable in the materials through the textile technology. Functional yarns and fibres are usable to realise garments where electrical and computing properties are combined with the traditional mechanical characteristics, giving rise to textile platforms that are comparable with the cloths that are normally used to produce our garments. The feel of the fabric is the same, but the functionality is augmented. Nowadays, consumers demand user-friendly connectivity and interactivity; sensing clothes are the most natural and ordinary interface able to follow us, everywhere in a non-intrusive way, in natural harmony with our body.

Impacts of air pollution and climate on materials in Athens, Greece

NASA Astrophysics Data System (ADS)

Christodoulakis, John; Tzanis, Chris G.; Varotsos, Costas A.; Ferm, Martin; Tidblad, Johan

2017-01-01

For more than 10 years now the National and Kapodistrian University of Athens, Greece, has contributed to the UNECE (United Nations Economic Commission for Europe) ICP Materials (International Co-operative Programme on Effects on Materials including Historic and Cultural Monuments) programme for monitoring the corrosion/soiling levels of different kinds of materials due to environmental air-quality parameters. In this paper we present the results obtained from the analysis of observational data that were collected in Athens during the period 2003-2012. According to these results, the corrosion/soiling of the particular exposed materials tends to decrease over the years, except for the case of copper. Based on this long experimental database that is applicable to the multi-pollutant situation in the Athens basin, we present dose-response functions (DRFs) considering that dose stands for the air pollutant concentration, response for the material mass loss (normally per annum) and function, the relationship derived by the best statistical fit to the data.

Stress and Damage in Polymer Matrix Composite Materials Due to Material Degradation at High Temperatures

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

Mcmanus, H.L.; Chamis, C.C.

1996-01-01

This report describes analytical methods for calculating stresses and damage caused by degradation of the matrix constituent in polymer matrix composite materials. Laminate geometry, material properties, and matrix degradation states are specified as functions of position and time. Matrix shrinkage and property changes are modeled as functions of the degradation states. The model is incorporated into an existing composite mechanics computer code. Stresses, strains, and deformations at the laminate, ply, and micro levels are calculated, and from these calculations it is determined if there is failure of any kind. The rationale for the model (based on published experimental work) ismore » presented, its integration into the laminate analysis code is outlined, and example results are given, with comparisons to existing material and structural data. The mechanisms behind the changes in properties and in surface cracking during long-term aging of polyimide matrix composites are clarified. High-temperature-material test methods are also evaluated.« less

Probabilistic migration modelling focused on functional barrier efficiency and low migration concepts in support of risk assessment.

PubMed

Brandsch, Rainer

2017-10-01

Migration modelling provides reliable migration estimates from food-contact materials (FCM) to food or food simulants based on mass-transfer parameters like diffusion and partition coefficients related to individual materials. In most cases, mass-transfer parameters are not readily available from the literature and for this reason are estimated with a given uncertainty. Historically, uncertainty was accounted for by introducing upper limit concepts first, turning out to be of limited applicability due to highly overestimated migration results. Probabilistic migration modelling gives the possibility to consider uncertainty of the mass-transfer parameters as well as other model inputs. With respect to a functional barrier, the most important parameters among others are the diffusion properties of the functional barrier and its thickness. A software tool that accepts distribution as inputs and is capable of applying Monte Carlo methods, i.e., random sampling from the input distributions of the relevant parameters (i.e., diffusion coefficient and layer thickness), predicts migration results with related uncertainty and confidence intervals. The capabilities of probabilistic migration modelling are presented in the view of three case studies (1) sensitivity analysis, (2) functional barrier efficiency and (3) validation by experimental testing. Based on the predicted migration by probabilistic migration modelling and related exposure estimates, safety evaluation of new materials in the context of existing or new packaging concepts is possible. Identifying associated migration risk and potential safety concerns in the early stage of packaging development is possible. Furthermore, dedicated material selection exhibiting required functional barrier efficiency under application conditions becomes feasible. Validation of the migration risk assessment by probabilistic migration modelling through a minimum of dedicated experimental testing is strongly recommended.

Five year ground exposure of composite materials used on the Bell Model 206L flight service evaluation

NASA Technical Reports Server (NTRS)

Baker, Donald J.

1989-01-01

Part of the results of a U.S. Army/NASA-Langley sponsored research program to establish the long term-term effects of realistic ground based exposure on advanced composite materials is presented. Residual strengths and moisture absorption as a function of exposure time and exposure location are reported for four different composite material systems that were exposed for five years on the North American Continent.

Data Bases and Libraries.

ERIC Educational Resources Information Center

Cote, L. G.

A system in which the function of the library is to acquire, store, and organize materials is proposed which separates the reference function into a group of subject specialists backed up by computerized information retrieval systems. This division of labor is caused by the scientific community's need for access to graphic and other specific (not…

Coumarin-Based Oxime Esters: Photobleachable and Versatile Unimolecular Initiators for Acrylate and Thiol-Based Click Photopolymerization under Visible Light-Emitting Diode Light Irradiation.

PubMed

Li, Zhiquan; Zou, Xiucheng; Zhu, Guigang; Liu, Xiaoya; Liu, Ren

2018-05-09

Developing efficient unimolecular visible light-emitting diode (LED) light photoinitiators (PIs) with photobleaching capability, which are essential for various biomedical applications and photopolymerization of thick materials, remains a great challenge. Herein, we demonstrate the synthesis of a series of novel PIs, containing coumarin moieties as chromophores and oxime ester groups as initiation functionalities and explore their structure-activity relationship. The investigated oxime esters can effectively induce acrylates and thiol-based click photopolymerization under 450 nm visible LED light irradiation. The initiator O-3 exhibited excellent photobleaching capability and enabled photopolymerization of thick materials (∼4.8 mm). The efficient unimolecular photobleachable initiators show great potential in dental materials and 3D printings.

Gas Sensing Analysis of Ag-Decorated Graphene for Sulfur Hexafluoride Decomposition Products Based on the Density Functional Theory

PubMed Central

Zhang, Xiaoxing; Huang, Rong; Gui, Yingang; Zeng, Hong

2016-01-01

Detection of decomposition products of sulfur hexafluoride (SF6) is one of the best ways to diagnose early latent insulation faults in gas-insulated equipment, and the occurrence of sudden accidents can be avoided effectively by finding early latent faults. Recently, functionalized graphene, a kind of gas sensing material, has been reported to show good application prospects in the gas sensor field. Therefore, calculations were performed to analyze the gas sensing properties of intrinsic graphene (Int-graphene) and functionalized graphene-based material, Ag-decorated graphene (Ag-graphene), for decomposition products of SF6, including SO2F2, SOF2, and SO2, based on density functional theory (DFT). We thoroughly investigated a series of parameters presenting gas-sensing properties of adsorbing process about gas molecule (SO2F2, SOF2, SO2) and double gas molecules (2SO2F2, 2SOF2, 2SO2) on Ag-graphene, including adsorption energy, net charge transfer, electronic state density, and the highest and lowest unoccupied molecular orbital. The results showed that the Ag atom significantly enhances the electrochemical reactivity of graphene, reflected in the change of conductivity during the adsorption process. SO2F2 and SO2 gas molecules on Ag-graphene presented chemisorption, and the adsorption strength was SO2F2 > SO2, while SOF2 absorption on Ag-graphene was physical adsorption. Thus, we concluded that Ag-graphene showed good selectivity and high sensitivity to SO2F2. The results can provide a helpful guide in exploring Ag-graphene material in experiments for monitoring the insulation status of SF6-insulated equipment based on detecting decomposition products of SF6. PMID:27809269

Bioinspired engineering of thermal materials.

PubMed

Tao, Peng; Shang, Wen; Song, Chengyi; Shen, Qingchen; Zhang, Fangyu; Luo, Zhen; Yi, Nan; Zhang, Di; Deng, Tao

2015-01-21

In the development of next-generation materials with enhanced thermal properties, biological systems in nature provide many examples that have exceptional structural designs and unparalleled performance in their thermal or nonthermal functions. Bioinspired engineering thus offers great promise in the synthesis and fabrication of thermal materials that are difficult to engineer through conventional approaches. In this review, recent progress in the emerging area of bioinspired advanced materials for thermal science and technology is summarized. State-of-the-art developments of bioinspired thermal-management materials, including materials for efficient thermal insulation and heat transfer, and bioinspired materials for thermal/infrared detection, are highlighted. The dynamic balance of bioinspiration and practical engineering, the correlation of inspiration approaches with the targeted applications, and the coexistence of molecule-based inspiration and structure-based inspiration are discussed in the overview of the development. The long-term outlook and short-term focus of this critical area of advanced materials engineering are also presented. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

3D graphene nanomaterials for binder-free supercapacitors: scientific design for enhanced performance.

PubMed

He, Shuijian; Chen, Wei

2015-04-28

Because of the excellent intrinsic properties, especially the strong mechanical strength, extraordinarily high surface area and extremely high conductivity, graphene is deemed as a versatile building block for fabricating functional materials for energy production and storage applications. In this article, the recent progress in the assembly of binder-free and self-standing graphene-based materials, as well as their application in supercapacitors are reviewed, including electrical double layer capacitors, pseudocapacitors, and asymmetric supercapacitors. Various fabrication strategies and the influence of structures on the capacitance performance of 3D graphene-based materials are discussed. We finally give concluding remarks and an outlook on the scientific design of binder-free and self-standing graphene materials for achieving better capacitance performance.

3D graphene nanomaterials for binder-free supercapacitors: scientific design for enhanced performance

NASA Astrophysics Data System (ADS)

He, Shuijian; Chen, Wei

2015-04-01

Because of the excellent intrinsic properties, especially the strong mechanical strength, extraordinarily high surface area and extremely high conductivity, graphene is deemed as a versatile building block for fabricating functional materials for energy production and storage applications. In this article, the recent progress in the assembly of binder-free and self-standing graphene-based materials, as well as their application in supercapacitors are reviewed, including electrical double layer capacitors, pseudocapacitors, and asymmetric supercapacitors. Various fabrication strategies and the influence of structures on the capacitance performance of 3D graphene-based materials are discussed. We finally give concluding remarks and an outlook on the scientific design of binder-free and self-standing graphene materials for achieving better capacitance performance.

Inorganic resins for clinical use of .sup.213Bi generators

DOEpatents

DePaoli, David W [Knoxville, TN; Hu, Michael Z [Knoxville, TN; Mirzadeh, Saed [Knoxville, TN; Clavier, John W [Elizabethton, TN

2011-03-29

Applicant's invention is a radionuclide generator resin material for radiochemical separation of daughter radionuclides, particularly .sup.213Bi, from a solution of parental radionuclides, the resin material capable of providing clinical quantities of .sup.213Bi of at least 20-mCi, wherein the resin material comprises a silica-based structure having at least one bifunctional ligand covalently attached to the surface of the silica-based structure. The bifunctional ligand comprises a chemical group having desirable surface functionality to enable the covalent attachment of the bifunctional ligand thereon the surface of the structure and the bifunctional ligand further comprises a second chemical group capable of binding and holding the parental radionuclides on the resin material while allowing the daughter radionuclides to elute off the resin material. The bifunctional ligand has a carbon chain with a limited number of carbons to maintain radiation stability of the resin material.

Density Functional Theory and Beyond for Band-Gap Screening: Performance for Transition-Metal Oxides and Dichalcogenides.

PubMed

Li, Wenqing; Walther, Christian F J; Kuc, Agnieszka; Heine, Thomas

2013-07-09

The performance of a wide variety of commonly used density functionals, as well as two screened hybrid functionals (HSE06 and TB-mBJ), on predicting electronic structures of a large class of en vogue materials, such as metal oxides, chalcogenides, and nitrides, is discussed in terms of band gaps, band structures, and projected electronic densities of states. Contrary to GGA, hybrid functionals and GGA+U, both HSE06 and TB-mBJ are able to predict band gaps with an appreciable accuracy of 25% and thus allow the screening of various classes of transition-metal-based compounds, i.e., mixed or doped materials, at modest computational cost. The calculated electronic structures are largely unaffected by the choice of basis functions and software implementation, however, might be subject to the treatment of the core electrons.

Chemical Functionalization of Graphene Family Members

NASA Astrophysics Data System (ADS)

Vacchi, Isabella Anna; Ménard-Moyon, Cécilia; Bianco, Alberto

2017-01-01

Thanks to their outstanding physicochemical properties, graphene and its derivatives are interesting nanomaterials with a high potential in several fields. Graphene, graphene oxide, and reduced graphene oxide, however, differ partially in their characteristics due to their diverse surface composition. Those differences influence the chemical reactivity of these materials. In the following chapter the reactivity and main functionalization reactions performed on graphene, graphene oxide, and reduced graphene oxide are discussed. A part is also dedicated to the main analytical techniques used for characterization of these materials. Functionalization of graphene and its derivatives is highly important to modulate their characteristics and design graphene-based conjugates with novel properties. Functionalization can be covalent by forming strong and stable bonds with the graphene surface, or non-covalent via π-π, electrostatic, hydrophobic, and/or van der Waals interactions. Both types of functionalization are currently exploited.

Designing ECM-mimetic Materials Using Protein Engineering

PubMed Central

Cai, Lei; Heilshorn, Sarah C.

2014-01-01

The natural extracellular matrix (ECM), with its multitude of evolved cell-instructive and cell-responsive properties, provides inspiration and guidelines for the design of engineered biomaterials. One strategy to create ECM-mimetic materials is the modular design of protein-based engineered ECM (eECM) scaffolds. This modular design strategy involves combining multiple protein domains with different functionalities into a single, modular polymer sequence, resulting in a multifunctional matrix with independent tunability of the individual domain functions. These eECMs often enable decoupled control over multiple material properties for fundamental studies of cell-matrix interactions. In addition, since the eECMs are frequently composed entirely of bioresorbable amino acids, these matrices have immense clinical potential for a variety of regenerative medicine applications. This brief review demonstrates how fundamental knowledge gained from structure-function studies of native proteins can be exploited in the design of novel protein-engineered biomaterials. While the field of protein-engineered biomaterials has existed for over 20 years, the community is only now beginning to fully explore the diversity of functional peptide modules that can be incorporated into these materials. We have chosen to highlight recent examples that either (1) demonstrate exemplary use as matrices with cell-instructive and cell-responsive properties or (2) demonstrate outstanding creativity in terms of novel molecular-level design and macro-level functionality. PMID:24365704

Diagnostics of Polymer Composite Materials and Analysis of Their Production Technology by Using the Method of Acoustic Emission

NASA Astrophysics Data System (ADS)

Bashkov, O. V.; Protsenko, A. E.; Bryanskii, A. A.; Romashko, R. V.

2017-09-01

The strength properties of glass-fiber-reinforced plastics produced by vacuum and vacuum autoclave molding techniques are studied. Based on acoustic emission data, a method of diagnostic and prediction of the bearing capacity of polymer composite materials by using data from three-point bending tests is developed. The method is based on evaluating changes in the exponent of a power function relating the total acoustic emission to the test stress.

Amphiphilic silicone architectures via anaerobic thiol-ene chemistry.

PubMed

Keddie, Daniel J; Grande, John B; Gonzaga, Ferdinand; Brook, Michael A; Dargaville, Tim R

2011-11-18

Despite broad application, few silicone-based surfactants of known structure or, therefore, surfactancy have been prepared because of an absence of selective routes and instability of silicones to acid and base. Herein the synthesis of a library of explicit silicone-poly(ethylene glycol) (PEG) materials is reported. Pure silicone fragments were generated by the B(C(6)F(5))(3)-catalyzed condensation of alkoxysilanes and vinyl-functionalized hydrosilanes. The resulting pure products were coupled to thiol-terminated PEG materials using photogenerated radicals under anaerobic conditions.

Ionic-Liquid-Based CO2 Capture Systems: Structure, Interaction and Process.

PubMed

Zeng, Shaojuan; Zhang, Xiangping; Bai, Lu; Zhang, Xiaochun; Wang, Hui; Wang, Jianji; Bao, Di; Li, Mengdie; Liu, Xinyan; Zhang, Suojiang

2017-07-26

The inherent structure tunability, good affinity with CO 2 , and nonvolatility of ionic liquids (ILs) drive their exploration and exploitation in CO 2 separation field, and has attracted remarkable interest from both industries and academia. The aim of this Review is to give a detailed overview on the recent advances on IL-based materials, including pure ILs, IL-based solvents, and IL-based membranes for CO 2 capture and separation from the viewpoint of molecule to engineering. The effects of anions, cations and functional groups on CO 2 solubility and selectivity of ILs, as well as the studies on degradability of ILs are reviewed, and the recent developments on functionalized ILs, IL-based solvents, and IL-based membranes are also discussed. CO 2 separation mechanism with IL-based solvents and IL-based membranes are explained by combining molecular simulation and experimental characterization. Taking into consideration of the applications and industrialization, the recent achievements and developments on the transport properties of IL fluids and the process design of IL-based processes are highlighted. Finally, the future research challenges and perspectives of the commercialization of CO 2 capture and separation with IL-based materials are posed.

Biological and chemical sensors based on graphene materials.

PubMed

Liu, Yuxin; Dong, Xiaochen; Chen, Peng

2012-03-21

Owing to their extraordinary electrical, chemical, optical, mechanical and structural properties, graphene and its derivatives have stimulated exploding interests in their sensor applications ever since the first isolation of free-standing graphene sheets in year 2004. This article critically and comprehensively reviews the emerging graphene-based electrochemical sensors, electronic sensors, optical sensors, and nanopore sensors for biological or chemical detection. We emphasize on the underlying detection (or signal transduction) mechanisms, the unique roles and advantages of the used graphene materials. Properties and preparations of different graphene materials, their functionalizations are also comparatively discussed in view of sensor development. Finally, the perspective and current challenges of graphene sensors are outlined (312 references).

Dynamic response of porous functionally graded material nanobeams subjected to moving nanoparticle based on nonlocal strain gradient theory

NASA Astrophysics Data System (ADS)

Barati, Mohammad Reza

2017-11-01

Up to now, nonlocal strain gradient theory (NSGT) is broadly applied to examine free vibration, static bending and buckling of nanobeams. This theory captures nonlocal stress field effects together with the microstructure-dependent strain gradient effects. In this study, forced vibrations of NSGT nanobeams on elastic substrate subjected to moving loads are examined. The nanobeam is made of functionally graded material (FGM) with even and uneven porosity distributions inside the material structure. The graded material properties with porosities are described by a modified power-law model. Dynamic deflection of the nanobeam is obtained via Galerkin and inverse Laplace transform methods. The importance of nonlocal parameter, strain gradient parameter, moving load velocity, porosity volume fraction, type of porosity distribution and elastic foundation on forced vibration behavior of nanobeams are discussed.

Time-dependent density functional theory for open systems with a positivity-preserving decomposition scheme for environment spectral functions

NASA Astrophysics Data System (ADS)

Wang, RuLin; Zheng, Xiao; Kwok, YanHo; Xie, Hang; Chen, GuanHua; Yam, ChiYung

2015-04-01

Understanding electronic dynamics on material surfaces is fundamentally important for applications including nanoelectronics, inhomogeneous catalysis, and photovoltaics. Practical approaches based on time-dependent density functional theory for open systems have been developed to characterize the dissipative dynamics of electrons in bulk materials. The accuracy and reliability of such approaches depend critically on how the electronic structure and memory effects of surrounding material environment are accounted for. In this work, we develop a novel squared-Lorentzian decomposition scheme, which preserves the positive semi-definiteness of the environment spectral matrix. The resulting electronic dynamics is guaranteed to be both accurate and convergent even in the long-time limit. The long-time stability of electronic dynamics simulation is thus greatly improved within the current decomposition scheme. The validity and usefulness of our new approach are exemplified via two prototypical model systems: quasi-one-dimensional atomic chains and two-dimensional bilayer graphene.

Organic Synthetic Advanced Materials for Optoelectronic and Energy Applications (at Center for Condensed Matter Sciences)

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

Yen, Hung-Ju

These slides cover Hung-Ju Yen's recent work in the synthesis and structural design of functional materials, which were further used for optoelectronic and energy applications, such as lithium ion battery, solar cell, LED, electrochromic, and fuel cells. This was for a job interview at Center for Condensed Matter Sciences. The following topics are detailed: current challenges for lithium-ion batteries; graphene, graphene oxide and nanographene; nanographenes with various functional groups; fine tune d-spacing through organic synthesis: varying functional group; schematic view of LIBs; nanographenes as LIB anode; rate performance (charging-discharging); electrochromic technology; electrochromic materials; advantages of triphenylamine; requirement of electrochromic materialsmore » for practical applications; low driving voltage and long cycle life; increasing the electroactive sites by multi-step synthetic procedures; synthetic route to starburst triarylamine-based polyamide; electrochromism ranging from visible to NIR region; transmissive to black electrochromism; RGB and CMY electrochromism.« less

Organic Synthetic Advanced Materials for Optoelectronic and Energy Applications (at National Taipei University of Technology)

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

Yen, Hung-Ju

These slides cover Hung-Ju Yen's recent work in the synthesis and structural design of functional materials, which were further used for optoelectronic and energy applications, such as lithium ion battery, solar cell, LED, electrochromic, and fuel cells. This was for a job interview at National Taipei University of Technology. The following topics are detailed: current challenges for lithium-ion batteries; graphene, graphene oxide and nanographene; nanographenes with various functional groups; fine tune d-spacing through organic synthesis: varying functional group; schematic view of LIBs; nanographenes as LIB anode; rate performance (charging-discharging); electrochromic technology; electrochromic materials; advantages of triphenylamine; requirement of electrochromic materialsmore » for practical applications; low driving voltage and long cycle life; increasing the electroactive sites by multi-step synthetic procedures; synthetic route to starburst triarylamine-based polyamide; electrochromism ranging from visible to NIR region; transmissive to black electrochromism; RGB and CMY electrochromism.« less

Fourier analysis: from cloaking to imaging

NASA Astrophysics Data System (ADS)

Wu, Kedi; Cheng, Qiluan; Wang, Guo Ping

2016-04-01

Regarding invisibility cloaks as an optical imaging system, we present a Fourier approach to analytically unify both Pendry cloaks and complementary media-based invisibility cloaks into one kind of cloak. By synthesizing different transfer functions, we can construct different devices to realize a series of interesting functions such as hiding objects (events), creating illusions, and performing perfect imaging. In this article, we give a brief review on recent works of applying Fourier approach to analysis invisibility cloaks and optical imaging through scattering layers. We show that, to construct devices to conceal an object, no constructive materials with extreme properties are required, making most, if not all, of the above functions realizable by using naturally occurring materials. As instances, we experimentally verify a method of directionally hiding distant objects and create illusions by using all-dielectric materials, and further demonstrate a non-invasive method of imaging objects completely hidden by scattering layers.

Absorption characteristics of glass fiber materials at normal and oblique incidence. M.S. Thesis

NASA Technical Reports Server (NTRS)

Wyerman, B. R.

1974-01-01

The absorption characteristics of several fibrous materials of the Owens Corning 700 Fiberglas Series were measured to determine the variation in impedance as a function of incident angle of the sound wave. The results, indicate that the fibrous absorbents behave as extended reacting materials. The poor agreement between measurement and theory for sound absorption based on the parameters of flow resistance and porosity indicates that this theory does not adequately predict the acoustic behavior of fibrous materials. A much better agreement with measured results is obtained for values calculated from the bulk acoustic parameters of the material.

Construction patterns of birds' nests provide insight into nest-building behaviours.

PubMed

Biddle, Lucia; Goodman, Adrian M; Deeming, D Charles

2017-01-01

Previous studies have suggested that birds and mammals select materials needed for nest building based on their thermal or structural properties, although the amounts or properties of the materials used have been recorded for only a very small number of species. Some of the behaviours underlying the construction of nests can be indirectly determined by careful deconstruction of the structure and measurement of the biomechanical properties of the materials used. Here we examined this idea in an investigation of Bullfinch ( Pyrrhula pyrrhula ) nests as a model for open-nesting songbird species that construct a "twig" nest, and tested the hypothesis that materials in different parts of nests serve different functions. The quantities of materials present in the nest base, sides and cup were recorded before structural analysis. Structural analysis showed that the base of the outer nests were composed of significantly thicker, stronger and more rigid materials compared to the side walls, which in turn were significantly thicker, stronger and more rigid than materials used in the cup. These results suggest that the placement of particular materials in nests may not be random, but further work is required to determine if the final structure of a nest accurately reflects the construction process.

Using cell structures to develop functional nanomaterials and nanostructures--case studies of actin filaments and microtubules.

PubMed

Wu, Kevin Chia-Wen; Yang, Chung-Yao; Cheng, Chao-Min

2014-04-25

This article is based on the continued development of biologically relevant elements (i.e., actin filaments and microtubules in living cells) as building blocks to create functional nanomaterials and nanostructures that can then be used to manufacture nature-inspired small-scale devices or systems. Here, we summarize current progress in the field and focus specifically on processes characterized by (1) robustness and ease of use, (2) inexpensiveness, and (3) potential expandability to mass production. This article, we believe, will provide scientists and engineers with a more comprehensive understanding of how to mine biological materials and natural design features to construct functional materials and devices.

Bio-based materials with novel characteristics for tissue engineering applications - A review.

PubMed

Bedian, Luis; Villalba-Rodríguez, Angel M; Hernández-Vargas, Gustavo; Parra-Saldivar, Roberto; Iqbal, Hafiz M N

2017-05-01

Recently, a wider spectrum of bio-based materials and materials-based novel constructs and systems has been engineered with high interests. The key objective is to help for an enhanced/better quality of life in a secure way by avoiding/limiting various adverse effects of some in practice traditional therapies. In this context, different methodological approaches including in vitro, in vivo, and ex vivo techniques have been exploited, so far. Among them, bio-based therapeutic constructs are of supreme interests for an enhanced and efficient delivery in the current biomedical sector of the modern world. The development of new types of novel, effective and highly reliable materials-based novel constructs for multipurpose applications is essential and a core demand to tackle many human health related diseases. Bio-based materials possess several complementary functionalities, e.g. unique chemical structure, bioactivity, non-toxicity, biocompatibility, biodegradability, recyclability, etc. that position them well in the modern world's materials sector. In this context, the utilization of biomaterials provides extensive opportunities for experimentation in the field of interdisciplinary and multidisciplinary scientific research. With an aim to address the global dependence on petroleum-based polymers, researchers have been redirecting their interests to the engineering of biological materials for targeted applications in different industries including cosmetics, pharmaceuticals, and other biotechnological or biomedical applications. Herein, we reviewed biotechnological advancements at large and tissue engineering from a biomaterials perspective in particular and envision directions of future developments. Copyright © 2017 Elsevier B.V. All rights reserved.

Self-assembled peptide nanostructures for functional materials

NASA Astrophysics Data System (ADS)

Sardan Ekiz, Melis; Cinar, Goksu; Aref Khalily, Mohammad; Guler, Mustafa O.

2016-10-01

Nature is an important inspirational source for scientists, and presents complex and elegant examples of adaptive and intelligent systems created by self-assembly. Significant effort has been devoted to understanding these sophisticated systems. The self-assembly process enables us to create supramolecular nanostructures with high order and complexity, and peptide-based self-assembling building blocks can serve as suitable platforms to construct nanostructures showing diverse features and applications. In this review, peptide-based supramolecular assemblies will be discussed in terms of their synthesis, design, characterization and application. Peptide nanostructures are categorized based on their chemical and physical properties and will be examined by rationalizing the influence of peptide design on the resulting morphology and the methods employed to characterize these high order complex systems. Moreover, the application of self-assembled peptide nanomaterials as functional materials in information technologies and environmental sciences will be reviewed by providing examples from recently published high-impact studies.

Surface modification of polyisobutylene via grafting amino acid-based poly (acryloyl-6-aminocaproic acid) as multifunctional material.

PubMed

Du, Yanqiu; Li, Chunming; Jin, Jing; Li, Chao; Jiang, Wei

2018-01-01

Amino acid-based P(acryloyl-6-aminocaproic acid) (PAACA) brushes were fabricated on polyisobutylene (PIB) surface combined with plasma pre-treatment and UV-induced grafting polymerization to construct an antifouling and functional material. The hydrophilicity and hemocompatibility of PIB were largely improved by surface modification of AACA, which were confirmed by water contact angle and platelet adhesion, respectively. PAACA brushes were precisely located onto the surface of PIB to create a patterned PIB-g-PAACA structure, and then the carboxyl groups on PAACA was activated to immobilize functional protein-Concanavalin A (Con A). The obtained Con A-coupled microdomains could further capture erythrocytes. This method developed a platform on commercial PIB surface via amino acid-based polymer brushes which had a promising application in drug delivery and disease diagnosis. Copyright © 2017 Elsevier B.V. All rights reserved.

Index to Bibliographies and Resource Materials--Project MEDIA, Summer 1975.

ERIC Educational Resources Information Center

National Indian Education Association, Minneapolis, Minn.

Information presented in this index includes citations ano descriptions of print and nonprint media by, for, or about Native Americans and represents some of the resource materials to be included in the functioning computer-housed data base now being constructed by Project MEDIA. As the precursor of a print catalogue to be published as more data…

First principles calculation of two dimensional antimony and antimony arsenide

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

Pillai, Sharad Babu, E-mail: sbpillai001@gmail.com; Narayan, Som; Jha, Prafulla K.

2016-05-23

This work focuses on the strain dependence of the electronic properties of two dimensional antimony (Sb) material and its alloy with As (SbAs) using density functional theory based first principles calculations. Both systems show indirect bandgap semiconducting character which can be transformed into a direct bandgap material with the application of relatively small strain.

Carbon nanotube-DNA nanoarchitectures and electronic functionality.

PubMed

Wang, Xu; Liu, Fei; Andavan, G T Senthil; Jing, Xiaoye; Singh, Krishna; Yazdanpanah, Vahid R; Bruque, Nicolas; Pandey, Rajeev R; Lake, Roger; Ozkan, Mihrimah; Wang, Kang L; Ozkan, Cengiz S

2006-11-01

Biological molecules such as deoxyribonucleic acid (DNA) possess inherent recognition and self-assembly capabilities, and are attractive templates for constructing functional hierarchical material structures as building blocks for nanoelectronics. Here we report the assembly and electronic functionality of nanoarchitectures based on conjugates of single-walled carbon nanotubes (SWNTs) functionalized with carboxylic groups and single-stranded DNA (ssDNA) sequences possessing terminal amino groups on both ends, hybridized together through amide linkages by adopting a straightforward synthetic route. Morphological and chemical-functional characterization of the nanoarchitectures are investigated using scanning electron microscopy, transmission electron microscopy, atomic force microscopy, energy-dispersive X-ray spectroscopy, Raman spectroscopy, and Fourier-transform infrared spectroscopy. Electrical measurements (I-V characterization) of the nanoarchitectures demonstrate negative differential resistance in the presence of SWNT/ssDNA interfaces, which indicates a biomimetic route to fabricating resonant tunneling diodes. I-V characterization on platinum-metallized SWNT-ssDNA nanoarchitectures via salt reduction indicates modulation of their electrical properties, with effects ranging from those of a resonant tunneling diode to a resistor, depending on the amount of metallization. Electron transport through the nanoarchitectures has been analyzed by density functional theory calculations. Our studies illustrate the great promise of biomimetic assembly of functional nanosystems based on biotemplated materials and present new avenues toward exciting future opportunities in nanoelectronics and nanobiotechnology.

Nanotechnology Applications in Functional Foods; Opportunities and Challenges.

PubMed

Singh, Harjinder

2016-03-01

Increasing knowledge on the link between diet and human health has generated a lot of interest in the development of functional foods. However, several challenges, including discovering of beneficial compounds, establishing optimal intake levels, and developing adequate food delivering matrix and product formulations, need to be addressed. A number of new processes and materials derived from nanotechnology have the potential to provide new solutions in many of these fronts. Nanotechnology is concerned with the manipulation of materials at the atomic and molecular scales to create structures that are less than 100 nm in size in one dimension. By carefully choosing the molecular components, it seems possible to design particles with different surface properties. Several food-based nanodelivery vehicles, such as protein-polysaccharide coacervates, multiple emulsions, liposomes and cochleates have been developed on a laboratory scale, but there have been very limited applications in real food systems. There are also public concerns about potential negative effects of nanotechnology-based delivery systems on human health. This paper provides an overview of the new opportunities and challenges for nanotechnology-based systems in future functional food development.

Self‐Assembled Graphene‐Based Architectures and Their Applications

PubMed Central

Yuan, Zhongke; Xiao, Xiaofen; Li, Jing; Zhao, Zhe

2017-01-01

Abstract Due to unique planar structures and remarkable thermal, electronic, and mechanical properties, chemically modified graphenes (CMGs) such as graphene oxides, reduced graphene oxides, and the related derivatives are recognized as the attractive building blocks for “bottom‐up” nanotechnology, while self‐assembly of CMGs has emerged as one of the most promising approaches to construct advanced functional materials/systems based on graphene. By virtue of a variety of noncovalent forces like hydrogen bonding, van der Waals interaction, metal‐to‐ligand bonds, electrostatic attraction, hydrophobic–hydrophilic interactions, and π–π interactions, the CMGs bearing various functional groups are highly desirable for the assemblies with themselves and a variety of organic and/or inorganic species which can yield various hierarchical nanostructures and macroscopic composites endowed with unique structures, properties, and functions for widespread technological applications such as electronics, optoelectronics, electrocatalysis/photocatalysis, environment, and energy storage and conversion. In this review, significant recent advances concerning the self‐assembly of CMGs are summarized, and the broad applications of self‐assembled graphene‐based materials as well as some future opportunities and challenges in this vibrant area are elucidated. PMID:29619311

Development of Highly Fluorescent Materials Based on Thiophenylimidazole Dyes

NASA Technical Reports Server (NTRS)

Santos, Javier; Bu, Xiu R.; Mintz, Eric A.; Meador, Michael A. (Technical Monitor)

2000-01-01

Organic fluorescent materials are expected to find many potential applications in optical devices and photo-functionalized materials. Although many investigations have been focused on heterocyclic compounds such as coumarins, bipyridines, rhodamines, and pyrrole derivatives, little is known for fluorescent imidazole materials. We discovered that one particular class of imidazole derivatives is highly fluorescent. A series of monomeric and polymeric based fluorescent dyes were prepared containing a thiophene unit at the second position of the imidazole ring. Dependence of fluorescence efficiency on parameters such as solvent polarity and substituent groups has been investigated. It was found that a formyl group at the 2-position of the thiophene ring dramatically enhance fluorescence properties. Ion recognition probes indicated their potential as sensor materials. These fluorophores have flexibility for introduction of versatile substituent groups that could improve the fluorescence efficiency and sensor properties.

Multifunctional materials for bone cancer treatment

PubMed Central

Marques, Catarina; Ferreira, José MF; Andronescu, Ecaterina; Ficai, Denisa; Sonmez, Maria; Ficai, Anton

2014-01-01

The purpose of this review is to present the most recent findings in bone tissue engineering. Special attention is given to multifunctional materials based on collagen and collagen–hydroxyapatite composites used for skin and bone cancer treatments. The multi-functionality of these materials was obtained by adding to the base regenerative grafts proper components, such as ferrites (magnetite being the most important representative), cytostatics (cisplatin, carboplatin, vincristine, methotrexate, paclitaxel, doxorubicin), silver nanoparticles, antibiotics (anthracyclines, geldanamycin), and/or analgesics (ibuprofen, fentanyl). The suitability of complex systems for the intended applications was systematically analyzed. The developmental possibilities of multifunctional materials with regenerative and curative roles (antitumoral as well as pain management) in the field of skin and bone cancer treatment are discussed. It is worth mentioning that better materials are likely to be developed by combining conventional and unconventional experimental strategies. PMID:24920907

Gravimetric chemical sensors based on silica-based mesoporous organic-inorganic hybrids.

PubMed

Xu, Jiaqiang; Zheng, Qi; Zhu, Yongheng; Lou, Huihui; Xiang, Qun; Cheng, Zhixuan

2014-09-01

Silica-based mesoporous organic-inorganic hybrid material modified quartz crystal microbalance (QCM) sensors have been examined for their ability to achieve highly sensitive and selective detection. Mesoporous silica SBA-15 serves as an inorganic host with large specific surface area, facilitating gas adsorption, and thus leads to highly sensitive response; while the presence of organic functional groups contributes to the greatly improved specific sensing property. In this work, we summarize our efforts in the rational design and synthesis of novel sensing materials for the detection of hazardous substances, including simulant nerve agent, organic vapor, and heavy metal ion, and develop high-performance QCM-based chemical sensors.

Structural hierarchies define toughness and defect-tolerance despite simple and mechanically inferior brittle building blocks

NASA Astrophysics Data System (ADS)

Sen, Dipanjan; Buehler, Markus J.

2011-07-01

Mineralized biological materials such as bone, sea sponges or diatoms provide load-bearing and armor functions and universally feature structural hierarchies from nano to macro. Here we report a systematic investigation of the effect of hierarchical structures on toughness and defect-tolerance based on a single and mechanically inferior brittle base material, silica, using a bottom-up approach rooted in atomistic modeling. Our analysis reveals drastic changes in the material crack-propagation resistance (R-curve) solely due to the introduction of hierarchical structures that also result in a vastly increased toughness and defect-tolerance, enabling stable crack propagation over an extensive range of crack sizes. Over a range of up to four hierarchy levels, we find an exponential increase in the defect-tolerance approaching hundred micrometers without introducing additional mechanisms or materials. This presents a significant departure from the defect-tolerance of the base material, silica, which is brittle and highly sensitive even to extremely small nanometer-scale defects.

New iron-based multiferroics with improper ferroelectricity

NASA Astrophysics Data System (ADS)

Peng, Jin; Zhang, Yang; Lin, Ling-Fang; Lin, Lin; Liu, Meifeng; Liu, Jun-Ming; Dong, Shuai

2018-06-01

In this contribution to the special issue on magnetoelectrics and their applications, we focus on some single phase multiferroics, which have been theoretically predicted and/or experimentally discovered by the authors in recent years. In these materials, iron is the common core element. However, these materials are conceptually different from the mostly-studied BiFeO3, since their ferroelectricity is improper. Our reviewed materials are not simply repeating one magnetoelectric mechanism, but cover multiple branches of improper ferroelectricity, including the magnetism-driven ferroelectrics, geometric ferroelectric, as well as electronic ferroelectric driven by charge ordering. In this sense, these iron-based improper ferroelectrics can be an encyclopaedic playground to explore the comprehensive physics of multiferroics and magnetoelectricity. Furthermore, the unique characteristics of iron’s 3d orbitals make some of their magnetoelectric properties quite prominent, comparing with the extensively-studied Mn-based improper multiferroics. In addition, these materials establish the crossover between multiferroics and other fields of functional materials, which enlarges the application scope of multiferroics.

Density functional theory (DFT) study on the hydrolysis behavior of degradable Mg/Mg alloys for biomedical applications

NASA Astrophysics Data System (ADS)

Nezafati, Marjan

Magnesium-based (Mg and/or Mg alloys) materials possess many advantageous physicochemical/biological characteristics such as good biocompatibility and similarity of the mechanical properties to the human bone tissue, which renders this material a promising candidate for the biomedical and implant applications. One of the most attractive features of Mg-based materials is the degradability in the physiological environment. With the burst of research on the biodegradable materials for the healthcare device applications, Mg and its alloys attracted a strong attention in the bioengineering field in recent years. However, the major limitation of applying Mg-based materials to biomedical applications is the fast degradation/corrosion rate with regards to the healing process time-span. In the present thesis, an atomistic model employing the density-functional theory (DFT) has been developed to study the hydrolysis process by understanding the influences of commonly used alloying elements (zinc (Zn), calcium (Ca), aluminum (Al), and yttrium (Y)) and the crystallographic orientation of the dissolution surfaces (basal (0001), prism (1010), and pyramidal (1011) planes) on the corrosion behavior. These parameters are known to strongly impact the initial hydrolysis phenomena of Mg-based materials. To develop the atomistic computational model, we have implemented the Dmol3 software package in conjunction with PBE (Perdew, Burke and Ernzerhof) correlation energy functional in the GGA (generalized gradient approximation) scheme. Throughout the thesis, we performed three sets of calculations, i) surface energy, ii) dissolution potential, and iii) water adsorption computations, to examine the hydrolysis mechanism and the subsequent corrosion/degradation of Mg/Mg alloys. The total energy changes of various Mg-based systems in different conditions for these surface energies, dissolution behavior, and tendency of the system for adsorbing the water molecule were quantified. The results obtained from the atomistic model showed that these structural/compositional parameters (i.e., different types of alloying elements and surface planes) can considerably impact the stability of surfaces that are in contact with the corrosion media. The dissolution potential change computation predicted that Al can prevent the dissolution of Mg atoms from the surface of Mg-Al systems. In addition, it was found that the trend of water adsorption phenomena with different alloying elements/planes can be well-explained by the stability of corrosion surface.

Recirculation: A New Concept to Drive Innovation in Sustainable Product Design for Bio-Based Products.

PubMed

Sherwood, James; Clark, James H; Farmer, Thomas J; Herrero-Davila, Lorenzo; Moity, Laurianne

2016-12-29

Bio-based products are made from renewable materials, offering a promising basis for the production of sustainable chemicals, materials, and more complex articles. However, biomass is not a limitless resource or one without environmental and social impacts. Therefore, while it is important to use biomass and grow a bio-based economy, displacing the unsustainable petroleum basis of energy and chemical production, any resource must be used effectively to reduce waste. Standards have been developed to support the bio-based product market in order to achieve this aim. However, the design of bio-based products has not received the same level of attention. Reported here are the first steps towards the development of a framework of understanding which connects product design to resource efficiency. Research and development scientists and engineers are encouraged to think beyond simple functionality and associate value to the potential of materials in their primary use and beyond.

Hyaluronan based materials with catanionic sugar-derived surfactants as drug delivery systems.

PubMed

Roig, F; Blanzat, M; Solans, C; Esquena, J; García-Celma, M J

2018-04-01

In the present work novel drug delivery systems consisting in highly porous Hyaluronan foams for the administration of a non-steroidal anti-inflammatory drug (NSAID), ketoprofen, have been obtained. A sugar-derived surfactant associated with ketoprofen was prepared and incorporated into the porous hyaluronan materials. The association between a lactose derived surfactant, Lhyd 12 , and ketoprofen was obtained by acid-base reaction and its physicochemical properties were studied. Tensiometric and dynamic light scattering (DLS) determinations showed the formation of catanionic surfactant aggregates, Lhyd 12 /ketoprofen, in aqueous solution. Furthermore, the catanionic surfactants allowed greater solubilisation of ketoprofen. Hyaluronan porous materials were developed using butanediol diglycidyl ether as crosslinking agent. The profile release of Lhyd 12 /ketoprofen from hyaluronan based materials shows differences as a function of the aggregation state of catanionic surfactant. Copyright © 2018 Elsevier B.V. All rights reserved.

An Investigation Into The Viability Of Nanocrystalline Cellulose As A Packaging Material

NASA Astrophysics Data System (ADS)

Glass, John

The focus of this proposal is to identify unexplored areas of research in the field of packaging science, specifically related to the incorporation of Nanocrystalline Cellulose (NCC) as a functional material in fiber based packaging, as well as to highlight some of potential risks and unknowns in the product lifecycle. This research hypothesizes that incorporating NCC into wood fiber-based c-flute corrugated packaging medium will show a sufficient performance improvement to justify additional research. Nanomaterials, as a whole, are still being understood, including those using naturally occurring bases such as NCC. Further incremental testing with NCC will help provide a performance and safety baseline for the necessary future research prior to mass production. NCC holds great promise for the future: a commonly available, naturally occurring material that's easily recyclable and biodegradable, yet has the strength of steel. Due diligence is required for this material to come to market in a safe and sustainable manner.

Preparation and characterization of functional material based on hybrid polymer composites

NASA Astrophysics Data System (ADS)

Agusu, La; Amiruddin; Taswito, Chen Chen; Herdianto; Zamrun, Muh.

2016-08-01

The microstructures and properties of hybrid polymer composites based on polyaniline (PANi)/γ-Fe2O3 nanoparticles/TiO2/carbon have been investigated for multifunctional applications such as heavy metal removal and initial study for radar absorbing material application. γ-Fe2O3 nanoparticles with spherical shape were synthetized by a coprecipitation method from iron sand. By activating the polyethylene glycol (PEG-400) coated carbon of coconut shell, the homogenous shape and size of carbon was achieved. Then, γ- Fe2O3, TiO2, and carbon were mixed with PANi by an in situ polymerization method at low temperature 0-5 oC. Characterization process involved XRD, SEM, FTIR, VSM, and DC conductivity measurements. For radar absorber application, the functionalized polymer composites showed good electrical conductivity 0.45 S/cm to absorb the incoming electromagnetic energy. An efficient and effective reduction of Pb2+ ion from the water has been achieved by using this material.

Additive-Free Transparent Triarylamine-Based Polymeric Hole-Transport Materials for Stable Perovskite Solar Cells.

PubMed

Matsui, Taisuke; Petrikyte, Ieva; Malinauskas, Tadas; Domanski, Konrad; Daskeviciene, Maryte; Steponaitis, Matas; Gratia, Paul; Tress, Wolfgang; Correa-Baena, Juan-Pablo; Abate, Antonio; Hagfeldt, Anders; Grätzel, Michael; Nazeeruddin, Mohammad Khaja; Getautis, Vytautas; Saliba, Michael

2016-09-22

Triarylamine-based polymers with different functional groups were synthetized as hole-transport materials (HTMs) for perovskite solar cells (PSCs). The novel materials enabled efficient PSCs without the use of chemical doping (or additives) to enhance charge transport. Devices employing poly(triarylamine) with methylphenylethenyl functional groups (V873) showed a power conversion efficiency of 12.3 %, whereas widely used additive-free poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine] (PTAA) demonstrated 10.8 %. Notably, devices with V873 enabled stable PSCs under 1 sun illumination at maximum power point tracking for approximately 40 h at room temperature, and in the dark under elevated temperature (85 °C) for more than 140 h. This is in stark contrast to additive-containing devices, which degrade significantly within the same time frame. The results present remarkable progress towards stable PSC under real working conditions and industrial stress tests. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ultrafine and well dispersed silver nanocrystals on 2D nanosheets: synthesis and application as a multifunctional material for electrochemical catalysis and biosensing.

PubMed

Gao, Tao; Yang, Dawei; Ning, Limin; Lei, Lin; Ye, Zonghuang; Li, Genxi

2014-12-21

The strong coupling of inorganic nanocrystals with 2D nanosheets to produce function-enhanced nano-materials with uniform size, dispersion, and high coverage density has long been of interest to scientists from various research fields. Here, a simple and effective method has been described to fabricate ultrafine and well dispersed silver nanocrystals (AgNCs) on graphene oxide (GO), based on a facial-induced co-reduction strategy. The synthesized nanohybrid has shown uniform and well dispersed AgNCs (2.9 ± 1.4 nm), individually separated GO sheets, as well as highly covered surface (5250 nanocrystals per square micrometer), indicating the formation of a high-quality GO-based nanohybrid. Moreover, this material shows excellent catalytic activity for oxygen reduction reactions (ORRs) and exhibits enhanced signal readout for molecular sensing, demonstrating the potential application of this newly synthesized inorganic hybrid with strong synergistic coupling effects on advanced functional systems.

Performance prediction for a magnetostrictive actuator using a simplified model

NASA Astrophysics Data System (ADS)

Yoo, Jin-Hyeong; Jones, Nicholas J.

2018-03-01

Iron-Gallium alloys (Galfenol) are promising transducer materials that combine high magnetostriction, desirable mechanical properties, high permeability, and a wide operational temperature range. Most of all, the material is capable of operating under tensile stress, and is relatively resistant to shock. These materials are generally characterized using a solid, cylindrically-shaped specimen under controlled compressive stress and magnetization conditions. Because the magnetostriction strongly depends on both the applied stress and magnetization, the characterization of the material is usually conducted under controlled conditions so each parameter is varied independently of the other. However, in a real application the applied stress and magnetization will not be maintained constant during operation. Even though the controlled characterization measurement gives insight into standard material properties, usage of this data in an application, while possible, is not straight forward. This study presents an engineering modeling methodology for magnetostrictive materials based on a piezo-electric governing equation. This model suggests phenomenological, nonlinear, three-dimensional functions for strain and magnetic flux density responses as functions of applied stress and magnetic field. Load line performances as a function of maximum magnetic field input were simulated based on the model. To verify the modeling performance, a polycrystalline magnetostrictive rod (Fe-Ga alloy, Galfenol) was characterized under compressive loads using a dead-weight test setup, with strain gages on the rod and a magnetic field driving coil around the sample. The magnetic flux density through the Galfenol rod was measured with a sensing coil; the compressive loads were measured using a load cell on the bottom of the Galfenol rod. The experimental results are compared with the simulation results using the suggested model, showing good agreement.

Theoretical study on the electronic and optical properties of bulk and surface (001) InxGa1-xAs

NASA Astrophysics Data System (ADS)

Liu, XueFei; Ding, Zhao; Luo, ZiJiang; Zhou, Xun; Wei, JieMin; Wang, Yi; Guo, Xiang; Lang, QiZhi

2018-05-01

The optical properties of surface and bulk InxGa1-xAs materials are compared systematically first time in this paper. The band structures, density of states and optical properties including dielectric function, reflectivity, absorption coefficient, loss function and refractive index of bulk and surface InxGa1-xAs materials are investigated by first-principles based on plane-wave pseudo-potentials method within the LDA approximation. The results agree well with the available theoretical and experimental studies and indicate that the electronic and optical properties of bulk and surface InxGa1-xAs materials are much different, and the results show that the considered optical properties of the both materials vary with increasing indium composition in an opposite way. The calculations show that the optical properties of surface In0.75Ga0.25As material are unexpected to be far from the other two indium compositions of surface InxGa1-xAs materials while the optical properties of bulk InxGa1-xAs materials vary with increasing indium composition in an expected regular way.

New strategy for surface functionalization of periodic mesoporous silica based on meso-HSiO1.5.

PubMed

Xie, Zhuoying; Bai, Ling; Huang, Suwen; Zhu, Cun; Zhao, Yuanjin; Gu, Zhong-Ze

2014-01-29

Organic functionalization of periodic mesoporous silicas (PMSs) offers a way to improve their excellent properties and wide applications owing to their structural superiority. In this study, a new strategy for organic functionalization of PMSs is demonstrated by hydrosilylation of the recently discovered "impossible" periodic mesoporous hydridosilica, meso-HSiO1.5. This method overcomes the disadvantages of present pathways for organic functionalization of PMSs with organosilica. Moreover, compared to the traditional functionalization on the surface of porous silicon by hydrosilylation, the template-synthesized meso-HSiO1.5 is more flexible to access functional-groups-loaded PMSs with adjustable microstructures. The new method and materials will have wider applications based on both the structure and surface superiorities.

Arsenic Adsorption from Water Using Graphene-Based Materials as Adsorbents: a Critical Review

NASA Astrophysics Data System (ADS)

Yang, Xuetong; Xia, Ling; Song, Shaoxian

2017-07-01

Adsorption is widely applied to remove arsenic from water. This paper reviewed and compared the recent progresses on the arsenic removal by adsorption using two-dimensional and three-dimensional graphene-based materials as adsorbents. Functional graphene sheet achieved the largest As(III) adsorption capacity of 138.79mg/g, while Mg-Al LDH/GO2 showed the largest As(V) adsorption capacity of 183.11mg/g. Parameters including pH, temperature, co-existing ions and loaded metal or metal oxide affected the adsorption process. The adsorption mechanisms of graphene-based materials for As(III) and As(V) could be explained by surface complexation and the electrostatic attraction, respectively. Future works are suggested to focus on regenerating of two-dimensional graphene-based adsorbents and developing the three-dimensional with large specific surface area and better adsorption performance.

Optimisation of UV irradiation as a binding site conserving method for crosslinking collagen-based scaffolds.

PubMed

Davidenko, Natalia; Bax, Daniel V; Schuster, Carlos F; Farndale, Richard W; Hamaia, Samir W; Best, Serena M; Cameron, Ruth E

2016-01-01

Short wavelength (λ = 254 nm) UV irradiation was evaluated over a range of intensities (0.06 to 0.96 J/cm(2)) as a means of cross-linking collagen- and gelatin-based scaffolds, to tailor their material characteristics whilst retaining biological functionality. Zero-link carbodiimide treatments are commonly applied to collagen-based materials, forming cross-links from carboxylate anions (for example the acidic E of GFOGER) that are an essential part of integrin binding sites on collagen. Cross-linking these amino acids therefore disrupts the bioactivity of collagen. In contrast, UV irradiation forms bonds from less important aromatic tyrosine and phenylalanine residues. We therefore hypothesised that UV cross-linking would not compromise collagen cell reactivity. Here, highly porous (~99 %) isotropic, collagen-based scaffolds were produced via ice-templating. A series of scaffolds (pore diameters ranging from 130-260 μm) with ascending stability in water was made from gelatin, two different sources of collagen I, or blends of these materials. Glucose, known to aid UV crosslinking of collagen, was added to some lower-stability formulations. These scaffolds were exposed to different doses of UV irradiation, and the scaffold morphology, dissolution stability in water, resistance to compression and cell reactivity was assessed. Stabilisation in aqueous media varied with both the nature of the collagen-based material employed and the UV intensity. Scaffolds made from the most stable materials showed the greatest stability after irradiation, although the levels of cross-linking in all cases were relatively low. Scaffolds made from pure collagen from the two different sources showed different optimum levels of irradiation, suggesting altered balance between stabilisation from cross-linking and destabilisation from denaturation. The introduction of glucose into the scaffold enhanced the efficacy of UV cross-linking. Finally, as hypothesized, cell attachment, spreading and proliferation on collagen materials were unaffected by UV cross-linking. UV irradiation may therefore be used to provide relatively low level cross-linking of collagen without loss of biological functionality.

Crystallization of isotactic polypropylene in different shear regimes

NASA Astrophysics Data System (ADS)

Spina, Roberto; Spekowius, Marcel; Hopmann, Christian

2017-10-01

The investigation of the shear-induced crystallization of isotactic polypropylene in isothermal conditions in different shear regimes is the aim of the present research. A multiscale framework is developed and implemented to compute the nucleation and growth of spherulites, based on material parameters needed to connect crystallization kinetics to the molecular material properties. The framework consists of a macro-model based on a Finite Element Method linked to a micro-model based on Cellular Automata. The main results are the evolution of the crystallization degree and spherulite space filling as a function of imposed temperature ash shear rate.

Mechanical characterization of hydroxyapatite, thermoelectric materials and doped ceria

NASA Astrophysics Data System (ADS)

Fan, Xiaofeng

For a variety of applications of brittle ceramic materials, porosity plays a critical role structurally and/or functionally, such as in engineered bone scaffolds, thermoelectric materials and in solid oxide fuel cells. The presence of porosity will affect the mechanical properties, which are essential to the design and application of porous brittle materials. In this study, the mechanical property versus microstructure relations for bioceramics, thermoelectric (TE) materials and solid oxide fuel cells were investigated. For the bioceramic material hydroxyapatite (HA), the Young's modulus was measured using resonant ultrasound spectroscopy (RUS) as a function of (i) porosity and (ii) microcracking damage state. The fracture strength was measured as a function of porosity using biaxial flexure testing, and the distribution of the fracture strength was studied by Weibull analysis. For the natural mineral tetrahedrite based solid solution thermoelectric material (Cu10Zn2As4S13 - Cu 12Sb4S13), the elastic moduli, hardness and fracture toughness were studied as a function of (i) composition and (ii) ball milling time. For ZiNiSn, a thermoelectric half-Heusler compound, the elastic modulus---porosity and hardness---porosity relations were examined. For the solid oxide fuel cell material, gadolina doped ceria (GDC), the elastic moduli including Young's modulus, shear modulus, bulk modulus and Poisson's ratio were measured by RUS as a function of porosity. The hardness was evaluated by Vickers indentation technique as a function of porosity. The results of the mechanical property versus microstructure relations obtained in this study are of great importance for the design and fabrication of reliable components with service life and a safety factor. The Weibull modulus, which is a measure of the scatter in fracture strength, is the gauge of the mechanical reliability. The elastic moduli and Poisson's ratio are needed in analytical or numerical models of the thermal and mechanical stresses arising from in-service thermal gradients, thermal transients and/or mechanical loading. Hardness is related to a material's wear resistance and machinability, which are two essential considerations in fabrication and application.

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

NASA Astrophysics Data System (ADS)

Talha, Mohammad; Ashokkumar, Chimpalthradi R.

2014-05-01

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

Monitoring bisphosphonate surface functionalization and acid stability of hierarchically porous titanium zirconium oxides.

PubMed

Ide, Andreas; Drisko, Glenna L; Scales, Nicholas; Luca, Vittorio; Schiesser, Carl H; Caruso, Rachel A

2011-11-01

To take advantage of the full potential of functionalized transition metal oxides, a well-understood nonsilane based grafting technique is required. The functionalization of mixed titanium zirconium oxides was studied in detail using a bisphosphonic acid, featuring two phosphonic acid groups with high surface affinity. The bisphosphonic acid employed was coupled to a UV active benzamide moiety in order to track the progress of the surface functionalization in situ. Using different material compositions, altering the pH environment, and looking at various annealing conditions, key features of the functionalization process were identified that consequently will allow for intelligent material design. Loading with bisphosphonic acid was highest on supports calcined at 650 °C compared to lower calcination temperatures: A maximum capacity of 0.13 mmol g(-1) was obtained and the adsorption process could be modeled with a pseudo-second-order rate relationship. Heating at 650 °C resulted in a phase transition of the mixed binary oxide to a ternary oxide, titanium zirconium oxide in the srilankite phase. This phase transition was crucial in order to achieve high loading of the bisphosphonic acid and enhanced chemical stability in highly acidic solutions. Due to the inert nature of phosphorus-oxygen-metal bonds, materials functionalized by bisphosphonic acids showed increased chemical stability compared to their nonfunctionalized counterparts in harshly acidic solutions. Leaching studies showed that the acid stability of the functionalized material was improved with a partially crystalline srilankite phase. The materials were characterized using nitrogen sorption, X-ray powder diffraction, and UV-vis spectroscopy; X-ray photoelectron spectroscopy was used to study surface coverage with the bisphosphonic acid molecules.

Designing Illustrations for CBVE Technical Procedures.

ERIC Educational Resources Information Center

Laugen, Ronald C.

A model was formulated for developing functional illustrations for text-based competency-based vocational education (CBVE) instructional materials. The proposed model contained four prescriptive steps that address the events of instruction to be provided or supported and the locations, content, and learning cues for each illustration. Usefulness…

Fibrous materials on polyhydroxybutyrate and ferric iron (III)-based porphyrins basis: physical-chemical and antibacterial properties

NASA Astrophysics Data System (ADS)

Olkhov, A.; Lobanov, A.; Staroverova, O.; Tyubaeva, P.; Zykova, A.; Pantyukhov, P.; Popov, A.; Iordanskii, A.

2017-02-01

Ferric iron (III)-based complexes with porphyrins are the homogenous catalysts of auto-oxidation of several biogenic substances. The most perspective carrier for functional low-molecular substances is the polymer fibers with nano-dimensional parameters. Application of natural polymers, poly-(3-hydroxybutyrate) or polylactic acid for instance, makes possible to develop fiber and matrice systems to solve ecological problem in biomedicine The aim of the article is to obtain fibrous material on poly-(3-hydroxybutyrate) and ferric iron (III)-based porphyrins basis and to examine its physical-chemical and antibacterial properties. The work is focused on possibility to apply such material to biomedical purposes. Microphotographs of obtained material showed that addition of 1% wt. ferric iron (III)-based porphyrins to PHB led to increased average diameter and disappeared spindly structures in comparison with initial PHB. Biological tests of nonwoven fabrics showed that fibers, containing ferric iron (III)-based tetraphenylporphyrins, were active in relation to bacterial test-cultures. It was found that materials on polymer and metal complexes with porphyrins basis can be applied to production of decontamination equipment in relation to pathogenic and opportunistic microorganisms.

Surface-Directed Assembly of Sequence-Defined Synthetic Polymers into Networks of Hexagonally Patterned Nanoribbons with Controlled Functionalities

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

Chen, Chun-Long; Zuckermann, Ronald N.; DeYoreo, James J.

The exquisite self-assembly of proteins and peptides in nature into highly ordered functional materials has inspired innovative approaches to biomimetic materials design and synthesis. Here we report the assembly of peptoids—a class of highly stable sequence-defined synthetic polymers—into biomimetic materials on mica surfaces. The assembling 12-mer peptoid contains alternating acidic and aromatic residues, and the presence of Ca2+ cations creates peptoid-peptoid and peptoid-mica interactions that drive assembly. In situ atomic force microscopy (AFM) shows that peptoids first assemble into discrete nanoparticles, these particles then transform into hexagonally-patterned nanoribbons on mica surfaces. AFM-based dynamic force spectroscopy (DFS) studies show that peptoid-micamore » interactions are much stronger than peptoidpeptoid interactions in the presence of Ca2+, illuminating the physical parameters that drive peptoid assembly. We further demonstrate the display of functional groups at the N-terminus of assembling peptoid sequence to produce biomimetic materials with similar hierarchical structures. This research demonstrates that surface-directed peptoid assembly can be used as a robust platform to develop biomimetic coating materials for applications.« less

Exploiting the flexibility and the polarization of ferroelectric perovskite surfaces to achieve efficient photochemistry and enantiospecificity

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

Rappe, Andrew

This research project explored the catalytic properties of complex surfaces of functional materials. The PI used first-principles density functional theory (DFT) calculations to explore a tightly integrated set of properties. The physical properties of complex functional materials that influence surface chemistry were explored, including bulk and surface electric dipoles, and surface conductivity. The energetic, compositional, electronic, and chemical properties of the surfaces of these materials were explored in detail, and connections between material properties and chemical reactivity were established. This project led to 28 publications, including Nat. Comm., JACS, 3 PRL, 7 PRB, 2 ACS Nano, 2 Nano Lett., 4more » JPCL, 2 JCP, Chem. Mater., ACS Appl. Mater. Interfaces, Phys. Rev. Appl., and a U.S. Patent on surface catalysts. The key accomplishments in this project involved work in six coordinated areas: pioneering ways to control bulk dipoles in order to dynamically affect catalysis, exploring novel ways of bringing charge to the surface for redox catalysis, nonstoichiometric surfaces offering new sites for heterogeneous catalysis, illustrating how surface catalysis responds to applied pressure, catalytic growth of carbon-based materials, and new computational methods allowing more accurate exploration of molecule-surface interactions« less

The analysis of mathematics teachers' learning on algebra function limit material based on teaching experience difference

NASA Astrophysics Data System (ADS)

Ma'rufi, Budayasa, I. Ketut; Juniati, Dwi

2017-08-01

The aim of this study was to describe the analysis of mathematics teachers' learning on algebra function limit material based on teaching experience difference. The purpose of this study is to describe the analysis of mathematics teacher's learning on limit algebraic functions in terms of the differences of teaching experience. Learning analysis focused on Pedagogical Content Knowledge (PCK) of teachers in mathematics on limit algebraic functions related to the knowledge of pedagogy. PCK of teachers on limit algebraic function is a type of specialized knowledge for teachers on how to teach limit algebraic function that can be understood by students. Subjects are two high school mathematics teacher who has difference of teaching experience they are one Novice Teacher (NP) and one Experienced Teacher (ET). Data are collected through observation of learning in the class, videos of learning, and then analyzed using qualitative analysis. Teacher's knowledge of Pedagogic defined as a knowledge and understanding of teacher about planning and organizing of learning, and application of learning strategy. The research results showed that the Knowledge of Pedagogy on subject NT in mathematics learning on the material of limit function algebra showed that the subject NT tended to describe procedurally, without explaining the reasons why such steps were used, asking questions which tended to be monotonous not be guiding and digging deeper, and less varied in the use of learning strategies while subject ET gave limited guidance and opportunities to the students to find their own answers, exploit the potential of students to answer questions, provide an opportunity for students to interact and work in groups, and subject ET tended to combine conceptual and procedural explanation.

An Investigation into the Effects of Interface Stress and Interfacial Arrangement on Temperature Dependent Thermal Properties of a Biological and a Biomimetic Material

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

Tomar, Vikas

2015-01-12

A significant effort in the biomimetic materials research is on developing materials that can mimic and function in the same way as biological tissues, on bio-inspired electronic circuits, on bio-inspired flight structures, on bio-mimetic materials processing, and on structural biomimetic materials, etc. Most structural biological and biomimetic material properties are affected by two primary factors: (1) interfacial interactions between an organic and an inorganic phase usually in the form of interactions between an inorganic mineral phase and organic protein network; and (2) structural arrangement of the constituents. Examples are exoskeleton structures such as spicule, nacre, and crustacean exoskeletons. A significantmore » effort is being directed towards making synthetic biomimetic materials based on a manipulation of the above two primary factors. The proposed research is based on a hypothesis that in synthetic materials with biomimetic morphology thermal conductivity, k, (how fast heat is carried away) and thermal diffusivity, D, (how fast a material’s temperature rises: proportional to the ratio of k and heat capacity) can be engineered to be either significantly low or significantly high based on a combination of chosen interface orientation and interfacial arrangement in comparison to conventional material microstructures with the same phases and phase volume fractions. METHOD DEVELOPMENT 1. We have established a combined Raman spectroscopy and nanomechanical loading based experimental framework to perform environment (liquid vs. air vs. vacuum) dependent and temperature dependent (~1000 degree-C) in-situ thermal diffusivity measurements in biomaterials at nanoscale to micron scale along with the corresponding analytical theoretic calculations. (Zhang and Tomar, 2013) 2. We have also established a new classical molecular simulation based framework to measure thermal diffusivity in biomolecular interfaces. We are writing a publication currently (Qu and Tomar, 2013) to report the framework and findings in tropocollagen-hydroxyapatite based idealized biomaterial interfaces. PHYSICAL FINDINGS 1. Analyses using experiments have revealed that in the case of bone thermal conductivity and thermal diffusivity at micron scale shows significant dependence on compressive stress and temperature. Overall, there is a decrease with respect to increase in temperature and increase with respect to increase in compressive stress. Bio-molecular simulations on idealized tropocollagen-hydroxyapatite interfaces confirm such findings. However, simulations also reveal that thermal diffusivity and thermal conductivity can be significantly tailored by interfacial orientation. More importantly, in inorganic materials, interfaces contribute to reduce thermal conductivity and diffusivity. However, analyses here reveal that both can be increased despite presence of a lot of interfaces. 2. Based on significant role played by interfaces in affecting bone thermal properties, a crustacean-exoskeleton system is examined for thermal diffusivity using the newly developed setup. Special emphasis here is on this system since such arrangement is found to be common in fresh water shrimp as well as in some deep water organisms surviving in environment extremes. Experiments reveal that in such system thermal diffusivity is highly tailorable. 3. Overall, experiments and models have established that in biomaterial interfaces a counterintuitive role of interfaces in mediating thermal conduction as a function of stress and temperature is possible in contrast to inorganic materials where interfaces almost always lead to reduction of thermal conductivity as a function of such factors. More investigations are underway to reveal physical origins of such counter-physical characteristics. Such principles can be significantly useful in developing new and innovative bioenergy and inorganic energy systems where heat dissipation significantly affects system performance.« less

Tadpole-like artificial micromotor

NASA Astrophysics Data System (ADS)

Liu, Limei; Liu, Mei; Su, Yajun; Dong, Yonggang; Zhou, Wei; Zhang, Lina; Zhang, Hui; Dong, Bin; Chi, Lifeng

2015-01-01

We describe a polymer-based artificial tadpole-like micromotor, which is fabricated through the electrospinning technique. By incorporating functional materials onto its surface or within its body, the resulting tadpole-like micromotor can not only move autonomously in an aqueous solution with a flexible tail, but also exhibit thermo- and magnetic responsive properties.We describe a polymer-based artificial tadpole-like micromotor, which is fabricated through the electrospinning technique. By incorporating functional materials onto its surface or within its body, the resulting tadpole-like micromotor can not only move autonomously in an aqueous solution with a flexible tail, but also exhibit thermo- and magnetic responsive properties. Electronic supplementary information (ESI) available: Experimental section, Fig. S1-S3 and Video S1-S4. See DOI: 10.1039/c4nr06621a

Computational designing and screening of solid materials for CO2capture

NASA Astrophysics Data System (ADS)

Duan, Yuhua

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

A micromotor based on polymer single crystals and nanoparticles: toward functional versatility.

PubMed

Liu, Mei; Liu, Limei; Gao, Wenlong; Su, Miaoda; Ge, Ya; Shi, Lili; Zhang, Hui; Dong, Bin; Li, Christopher Y

2014-08-07

We report a multifunctional micromotor fabricated by the self-assembly technique using multifunctional materials, i.e. polymer single crystals and nanoparticles, as basic building blocks. Not only can this micromotor achieve autonomous and directed movement, it also possesses unprecedented functions, including enzymatic degradation-induced micromotor disassembly, sustained release and molecular detection.

Functionalized MEMS Sensors for Capacity-Based Residual Life Indicators

DTIC Science & Technology

2015-03-09

The new measurement cell has been built and evaluated. Sensors have been coated with MOF CuBTC films by Dr. M. Allendorf at Sandia. The sensors...Thickness of Silicon Piezoresistors (nm) In MOF Ag Figure 17: Plot of delta R as a function of chemically induced strain for different materials on back

Strategies for the Synthesis of Higher Acenes

PubMed Central

Dorel, Ruth

2016-01-01

The outstanding performance of pentacene‐based molecules in molecular electronics, as well as the predicted enhanced semiconducting properties of extended acenes, have stimulated the development of new synthetic methods and functionalization strategies for the preparation of stable and soluble acenes larger than tetracene with the aim of obtaining improved functional materials. PMID:28747846

Improving material removal determinacy based on the compensation of tool influence function

NASA Astrophysics Data System (ADS)

Zhong, Bo; Chen, Xian-hua; Deng, Wen-hui; Zhao, Shi-jie; Zheng, Nan

2018-03-01

In the process of computer-controlled optical surfacing (CCOS), the key of correcting the surface error of optical components is to ensure the consistency between the simulated tool influence function and the actual tool influence function (TIF). The existing removal model usually adopts the fixed-point TIF to remove the material with the planning path and velocity, and it considers that the polishing process is linear and time invariant. However, in the actual polishing process, the TIF is a function related to the feed speed. In this paper, the relationship between the actual TIF and the feed speed (i.e. the compensation relationship between static removal and dynamic removal) is determined by experimental method. Then, the existing removal model is modified based on the compensation relationship, to improve the conformity between simulated and actual processing. Finally, the surface error modification correction test are carried out. The results show that the fitting degree of the simulated surface and the experimental surface is better than 88%, and the surface correction accuracy can be better than 1/10 λ (Λ=632.8nm).

Spatially Controlled Noncovalent Functionalization of 2D Materials Based on Molecular Architecture.

PubMed

Bang, Jae Jin; Porter, Ashlin G; Davis, Tyson C; Hayes, Tyler R; Claridge, Shelley A

2018-05-15

Polymerizable amphiphiles can be assembled into lying-down phases on 2D materials such as graphite and graphene to create chemically orthogonal surface patterns at 5-10 nm scales, locally modulating functionality of the 2D basal plane. Functionalization can be carried out through Langmuir-Schaefer conversion, in which a subset of molecules is transferred out of a standing phase film on water onto the 2D substrate. Here, we leverage differences in molecular structure to spatially control transfer at both nanoscopic and microscopic scales. We compare transfer properties of five different single- and dual-chain amphiphiles, demonstrating that those with strong lateral interactions (e.g., hydrogen-bonding networks) exhibit the lowest transfer efficiencies. Since molecular structures also influence microscopic domain morphologies in Langmuir films, we show that it is possible to transfer such microscale patterns, taking advantage of variations in the local transfer rates based on the structural heterogeneity in Langmuir films. Nanoscale domain morphologies also vary in ways that are consistent with predicted relative transfer and diffusion rates. These results suggest strategies to tailor noncovalent functionalization of 2D substrates through controlled LS transfer.

Flexible Asymmetric Supercapacitor Based on Functionalized Reduced Graphene Oxide Aerogels with Wide Working Potential Window.

PubMed

Bora, Anindita; Mohan, Kiranjyoti; Doley, Simanta; Dolui, Swapan Kumar

2018-03-07

Flexible energy storage devices are in great demand since the advent of flexible electronics. Until now, flexible supercapacitors based on graphene analogues usually have had low operating potential windows. To this end, two dissimilar electrode materials with complementary potential ranges are employed to obtain an optimum cell voltage of 1.8 V. A low-temperature organic sol-gel method is used to prepare two different types of functionalized reduced graphene oxide aerogels (rGOA) where Ag nanorod functionalized rGOA acts as a negative electrode while polyaniline nanotube functionalized rGOA acts as a positive electrode. Both materials comprehensively exploit their unique properties to produce a device that has high energy and power densities. An assembled all-solid-state asymmetric supercapacitor gives a high energy density of 52.85 W h kg -1 and power density of 31.5 kW kg -1 with excellent cycling and temperature stability. The device also performs extraordinarily well under different bending conditions, suggesting its potential to meet the requirements for flexible electronics.

PEG 400-Based Phase Change Materials Nano-Enhanced with Functionalized Graphene Nanoplatelets.

PubMed

Marcos, Marco A; Cabaleiro, David; Guimarey, María J G; Comuñas, María J P; Fedele, Laura; Fernández, Josefa; Lugo, Luis

2017-12-29

This study presents new Nano-enhanced Phase Change Materials, NePCMs, formulated as dispersions of functionalized graphene nanoplatelets in a poly(ethylene glycol) with a mass-average molecular mass of 400 g·mol -1 for possible use in Thermal Energy Storage. Morphology, functionalization, purity, molecular mass and thermal stability of the graphene nanomaterial and/or the poly(ethylene glycol) were characterized. Design parameters of NePCMs were defined on the basis of a temporal stability study of nanoplatelet dispersions using dynamic light scattering. Influence of graphene loading on solid-liquid phase change transition temperature, latent heat of fusion, isobaric heat capacity, thermal conductivity, density, isobaric thermal expansivity, thermal diffusivity and dynamic viscosity were also investigated for designed dispersions. Graphene nanoplatelet loading leads to thermal conductivity enhancements up to 23% while the crystallization temperature reduces up to in 4 K. Finally, the heat storage capacities of base fluid and new designed NePCMs were examined by means of the thermophysical properties through Stefan and Rayleigh numbers. Functionalized graphene nanoplatelets leads to a slight increase in the Stefan number.

PEG 400-Based Phase Change Materials Nano-Enhanced with Functionalized Graphene Nanoplatelets

PubMed Central

Marcos, Marco A.; Guimarey, María J. G.; Comuñas, María J. P.

2017-01-01

This study presents new Nano-enhanced Phase Change Materials, NePCMs, formulated as dispersions of functionalized graphene nanoplatelets in a poly(ethylene glycol) with a mass-average molecular mass of 400 g·mol−1 for possible use in Thermal Energy Storage. Morphology, functionalization, purity, molecular mass and thermal stability of the graphene nanomaterial and/or the poly(ethylene glycol) were characterized. Design parameters of NePCMs were defined on the basis of a temporal stability study of nanoplatelet dispersions using dynamic light scattering. Influence of graphene loading on solid-liquid phase change transition temperature, latent heat of fusion, isobaric heat capacity, thermal conductivity, density, isobaric thermal expansivity, thermal diffusivity and dynamic viscosity were also investigated for designed dispersions. Graphene nanoplatelet loading leads to thermal conductivity enhancements up to 23% while the crystallization temperature reduces up to in 4 K. Finally, the heat storage capacities of base fluid and new designed NePCMs were examined by means of the thermophysical properties through Stefan and Rayleigh numbers. Functionalized graphene nanoplatelets leads to a slight increase in the Stefan number. PMID:29286324

CEOs and CFOs express concern about materials management.

PubMed

Kowalski, J C

1998-05-01

In a recent survey, CEOs and CFOs expressed concern regarding the effectiveness of their materials management departments. Both groups of executives would like to see more improvement in their materials managers' supply expense reduction efforts and leadership skills. More than a third of CFOs are even considering outsourcing the materials management function. Both CEOs and CFOs did admit, however, they needed to learn more about materials management, and both groups of executives could lend their authority to materials management programs to ensure their success. CEOs and CFOs need to reach consensus regard materials management priorities, performance levels, and professional characteristics and desired skills. They also should hold materials managers accountable for operations they can and should be managing by using performance-based compensation.

Effects of functional group mass variance on vibrational properties and thermal transport in graphene

DOE PAGES

Lindsay, L.; Kuang, Y.

2017-03-13

Intrinsic thermal resistivity critically depends on features of phonon dispersions dictated by harmonic interatomic forces and masses. We present the effects of functional group mass variance on vibrational properties and thermal conductivity (κ ) of functionalized graphene from first principles calculations. We also use graphane, a buckled graphene backbone with covalently bonded Hydrogen atoms on both sides, as the base material and vary the mass of the Hydrogen atoms to simulate the effect of mass variance from other functional groups. We find non-monotonic behavior of κ with increasing mass of the functional group and an unusual cross-over from acoustic-dominated tomore » optic-dominated thermal transport behavior. We connect this cross-over to changes in the phonon dispersion with varying mass which suppress acoustic phonon velocities, but also give unusually high velocity optic modes. Further, we show that out-of-plane acoustic vibrations contribute significantly more to thermal transport than in-plane acoustic modes despite breaking of a reflection symmetry based scattering selection rule responsible for their large contributions in graphene. Our work demonstrates the potential for manipulation and engineering of thermal transport properties in two dimensional materials toward targeted applications.« less

Reliability Based Design for a Raked Wing Tip of an Airframe

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Pai, Shantaram S.; Coroneos, Rula M.

2011-01-01

A reliability-based optimization methodology has been developed to design the raked wing tip of the Boeing 767-400 extended range airliner made of composite and metallic materials. Design is formulated for an accepted level of risk or reliability. The design variables, weight and the constraints became functions of reliability. Uncertainties in the load, strength and the material properties, as well as the design variables, were modeled as random parameters with specified distributions, like normal, Weibull or Gumbel functions. The objective function and constraint, or a failure mode, became derived functions of the risk-level. Solution to the problem produced the optimum design with weight, variables and constraints as a function of the risk-level. Optimum weight versus reliability traced out an inverted-S shaped graph. The center of the graph corresponded to a 50 percent probability of success, or one failure in two samples. Under some assumptions, this design would be quite close to the deterministic optimum solution. The weight increased when reliability exceeded 50 percent, and decreased when the reliability was compromised. A design could be selected depending on the level of risk acceptable to a situation. The optimization process achieved up to a 20-percent reduction in weight over traditional design.

Functional Metal Matrix Composites: Self-lubricating, Self-healing, and Nanocomposites-An Outlook

NASA Astrophysics Data System (ADS)

Dorri Moghadam, Afsaneh; Schultz, Benjamin F.; Ferguson, J. B.; Omrani, Emad; Rohatgi, Pradeep K.; Gupta, Nikhil

2014-06-01

Many different types of advanced metal matrix composites are now available, some of which possess functional properties. Recent work on particle-reinforced, self-lubricating and self-healing metals and metal matrix nanocomposites (MMNCs) synthesized by solidification synthesis is reviewed. Particle-based MMNCs have been developed by several modern processing tools based on either solid- or liquid-phase synthesis techniques that are claimed to exhibit exciting mechanical properties including improvements of modulus, yield strength, and ultimate tensile strength. This article presents a brief and objective review of the work done over the last decade to identify the challenges and future opportunities in the area of functional nanocomposites. Increasing interest in lightweight materials has resulted in studies on hollow particle-filled metal matrix syntactic foams. Syntactic foams seem especially suitable for development with functional properties such as self-healing and self-lubrication. The metal matrix micro and nanocomposites, and syntactic foams having combinations of ultrahigh strength and wear resistance, self-lubricating, and/or self-healing properties can lead to increased energy efficiency, reliability, comfort of operation, reparability, and safety of vehicles. The focus of the present review is aluminum and magnesium matrix functional materials.

Sensing the facet orientation in silver nano-plates using scanning Kelvin probe microscopy in air

NASA Astrophysics Data System (ADS)

Abdellatif, M. H.; Salerno, M.; Polovitsyn, Anatolii; Marras, Sergio; De Angelis, Francesco

2017-05-01

The work function of nano-materials is important for a full characterization of their electronic properties. Because the band alignment, band bending and electronic noise are very sensitive to work function fluctuations, the dependence of the work function of nano-scale crystals on facet orientation can be a critical issue in optimizing optoelectronic devices based on these materials. We used scanning Kelvin probe microscopy to assess the local work function on samples of silver nano-plates at sub-micrometric spatial resolution. With the appropriate choice of the substrate and based on statistical analysis, it was possible to distinguish the surface potential of the different facets of silver nano-plates even if the measurements were done in ambient conditions without the use of vacuum. A phenomenological model was used to calculate the differences of facet work function of the silver nano-plates and the corresponding shift in Fermi level. This theoretical prediction and the experimentally observed difference in surface potential on the silver nano-plates were in good agreement. Our results show the possibility to sense the nano-crystal facets by appropriate choice of the substrate in ambient conditions.

Effects of functional group mass variance on vibrational properties and thermal transport in graphene

NASA Astrophysics Data System (ADS)

Lindsay, L.; Kuang, Y.

2017-03-01

Intrinsic thermal resistivity critically depends on features of phonon dispersions dictated by harmonic interatomic forces and masses. Here we present the effects of functional group mass variance on vibrational properties and thermal conductivity (κ ) of functionalized graphene from first-principles calculations. We use graphane, a buckled graphene backbone with covalently bonded hydrogen atoms on both sides, as the base material and vary the mass of the hydrogen atoms to simulate the effect of mass variance from other functional groups. We find nonmonotonic behavior of κ with increasing mass of the functional group and an unusual crossover from acoustic-dominated to optic-dominated thermal transport behavior. We connect this crossover to changes in the phonon dispersion with varying mass which suppress acoustic phonon velocities, but also give unusually high velocity optic modes. Further, we show that out-of-plane acoustic vibrations contribute significantly more to thermal transport than in-plane acoustic modes despite breaking of a reflection-symmetry-based scattering selection rule responsible for their large contributions in graphene. This work demonstrates the potential for manipulation and engineering of thermal transport properties in two-dimensional materials toward targeted applications.

Effects of functional group mass variance on vibrational properties and thermal transport in graphene

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

Lindsay, L.; Kuang, Y.

Intrinsic thermal resistivity critically depends on features of phonon dispersions dictated by harmonic interatomic forces and masses. We present the effects of functional group mass variance on vibrational properties and thermal conductivity (κ ) of functionalized graphene from first principles calculations. We also use graphane, a buckled graphene backbone with covalently bonded Hydrogen atoms on both sides, as the base material and vary the mass of the Hydrogen atoms to simulate the effect of mass variance from other functional groups. We find non-monotonic behavior of κ with increasing mass of the functional group and an unusual cross-over from acoustic-dominated tomore » optic-dominated thermal transport behavior. We connect this cross-over to changes in the phonon dispersion with varying mass which suppress acoustic phonon velocities, but also give unusually high velocity optic modes. Further, we show that out-of-plane acoustic vibrations contribute significantly more to thermal transport than in-plane acoustic modes despite breaking of a reflection symmetry based scattering selection rule responsible for their large contributions in graphene. Our work demonstrates the potential for manipulation and engineering of thermal transport properties in two dimensional materials toward targeted applications.« less

All-Metallic Vertical Transistors Based on Stacked Dirac Materials

NASA Astrophysics Data System (ADS)

Wang, Yangyang; Ni, Zeyuan; Liu, Qihang; Quhe, Ruge; Zheng, Jiaxin; Ye, Meng; Yu, Dapeng; Shi, Junjie; Yang, Jinbo; Li, Ju; Lu, Jing; Collaborative Innovation Center of Quantum Matter, Beijing Collaboration

2015-03-01

All metallic transistor can be fabricated from pristine semimetallic Dirac materials (such as graphene, silicene, and germanene), but the on/off current ratio is very low. In a vertical heterostructure composed by two Dirac materials, the Dirac cones of the two materials survive the weak interlayer van der Waals interaction based on density functional theory method, and electron transport from the Dirac cone of one material to the one of the other material is therefore forbidden without assistance of phonon because of momentum mismatch. First-principles quantum transport simulations of the all-metallic vertical Dirac material heterostructure devices confirm the existence of a transport gap of over 0.4 eV, accompanied by a switching ratio of over 104. Such a striking behavior is robust against the relative rotation between the two Dirac materials and can be extended to twisted bilayer graphene. Therefore, all-metallic junction can be a semiconductor and novel avenue is opened up for Dirac material vertical structures in high-performance devices without opening their band gaps. A visiting student in MIT now.

Thermo-Electro-Mechanical Analysis of a Curved Functionally Graded Piezoelectric Actuator with Sandwich Structure.

PubMed

Yan, Zhi; Zaman, Mostafa; Jiang, Liying

2011-12-12

In this work, the problem of a curved functionally graded piezoelectric (FGP) actuator with sandwich structure under electrical and thermal loads is investigated. The middle layer in the sandwich structure is functionally graded with the piezoelectric coefficient g 31 varying continuously along the radial direction of the curved actuator. Based on the theory of linear piezoelectricity, analytical solutions are obtained by using Airy stress function to examine the effects of material gradient and heat conduction on the performance of the curved actuator. It is found that the material gradient and thermal load have significant influence on the electroelastic fields and the mechanical response of the curved FGP actuator. Without the sacrifice of actuation deflection, smaller internal stresses are generated by using the sandwich actuator with functionally graded piezoelectric layer instead of the conventional bimorph actuator. This work is very helpful for the design and application of curved piezoelectric actuators under thermal environment.

Functionalized core-shell hydrogel microsprings by anisotropic gelation with bevel-tip capillary

PubMed Central

Yoshida, Koki; Onoe, Hiroaki

2017-01-01

This study describes a novel microfluidic-based method for the synthesis of hydrogel microsprings that are capable of encapsulating various functional materials. A continuous flow of alginate pre-gel solution can spontaneously form a hydrogel microspring by anisotropic gelation around the bevel-tip of the capillary. This technique allows fabrication of hydrogel microsprings using only simple capillaries and syringe pumps, while their complex compartmentalization characterized by a laminar flow inside the capillary can contribute to the optimization of the microspring internal structure and functionality. Encapsulation of several functional materials including magnetic-responsive nanoparticles or cell dispersed collagen for tissue scaffold was demonstrated to functionalize the microsprings. Our core-shell hydrogel microsprings have immense potential for application in a number of fields, including biological/chemical microsensors, biocompatible soft robots/microactuators, drug release, self-assembly of 3D structures and tissue engineering. PMID:28378803

The application of prepared porous carbon materials: Effect of different components on the heavy metal adsorption.

PubMed

Song, Min; Wei, Yuexing; Yu, Lei; Tang, Xinhong

2016-06-01

In this study, five typical municipal solid waste (MSW) components (tyres, cardboard, polyvinyl chloride (PVC), acrylic textile, toilet paper) were used as raw materials to prepare four kinds of MSW-based carbon materials (paperboard-based carbon materials (AC1); the tyres and paperboard-based carbon materials (AC2); the tyres, paperboard and PVC-based carbon materials (AC3); the tyres, paperboard, toilet paper, PVC and acrylic textile-based carbon materials (AC4)) by the KOH activation method. The characteristic results illustrate that the prepared carbon adsorbents exhibited a large pore volume, high surface area and sufficient oxygen functional groups. Furthermore, the application of AC1, AC2, AC3, AC4 on different heavy metal (Cu(2+), Zn(2+), Pb(2+), Cr(3+)) removals was explored to investigate their adsorption properties. The effects of reaction time, pH, temperature and adsorbent dosage on the adsorption capability of heavy metals were investigated. Comparisons of heavy metal adsorption on carbon of different components were carried out. Among the four samples, AC1 exhibits the highest adsorption capacity for Cu(2+); the highest adsorption capacities of Pb(2+) and Zn(2+) are obtained for AC2; that of Cr(3+) are obtained for AC4. In addition, the carbon materials exhibit better adsorption capability of Cu(2+) and Pb(2+) than the other two kind of metal ions (Zn(2+) and Cr(3+)). © The Author(s) 2016.

Microstereolithography for polymer-based based MEMS

NASA Astrophysics Data System (ADS)

Varadan, Vijay K.; Xie, Jining

2003-07-01

Microfabrication techniques such as bulk micromachining and surface micromachining currently employed to conceive MEMS are largely derived from the standard IC and microelectronics technology. Even though many MEMS devices with integrated electronics have been achieved by using the traditional micromachining techniques, some limitations have nevertheless to be underlined: 1) these techniques are very expensive and need specific installations as well as a cleanroom environment, 2) the materials that can be used up to now are restricted to silicon and metals, 3) the manufacture of 3D parts having curved surfaces or an important number of layers is not possible. Moreover, for some biological applications, the materials used for sensors must be compatible with human body and the actuators need to have high strain and displacement which the current silicon based MEMS do not provide. It is thus natural for the researchers to 'look' for alternative methods such as Microstereolithography (MSL) to make 3D sensors and actuators using polymeric based materials. For MSL techniques to be successful as their silicon counterparts, one has to come up with multifunctional polymers with electrical properties comparable to silicon. These multifunctional polymers should not only have a high sensing capability but also a high strain and actuation performance. A novel UV-curable polymer uniformly bonded with functionalized nanotubes was synthesized via a modified three-step in-situ polymerization. Purified multi-walled nanotubes, gained from the microwave chemical vapor deposition method, were functionalized by oxidation. The UV curable polymer was prepared from toluene diisocyanate (TDI), functionalized nanotubes, and 2-hydroxyethyl methacrylate (HEMA). The chemical bonds between -NCO groups of TDI and -OH, -COOH groups of functionalized nanotubes help for conceiving polymeric based MEMS devices. A cost effective fabrication techniques was presented using Micro Stereo Lithography and an example of a micropump was also described. The wireless concept of the device has many applications including implanted medical delivery systems, chemical and biological instruments, fluid delivery in engines, pump coolants and refrigerants for local cooling of electronic components.

Difference between beta1-adrenoceptor autoantibodies of human and animal origin-Limitations detecting beta1-adrenoceptor autoantibodies using peptide based ELISA technology.

PubMed

Wenzel, Katrin; Schulze-Rothe, Sarah; Müller, Johannes; Wallukat, Gerd; Haberland, Annekathrin

2018-01-01

Cell-based analytics for the detection of the beta1-adrenoceptor autoantibody (beta1-AAB) are functional, yet difficult to handle, and should be replaced by easily applicable, routine lab methods. Endeavors to develop solid-phase-based assays such as ELISA to exploit epitope moieties for trapping autoantibodies are ongoing. These solid-phase-based assays, however, are often unreliable when used with human patient material, in contrast to animal derived autoantibodies. We therefore tested an immunogen peptide-based ELISA for the detection of beta1-AAB, and compared commercially available goat antibodies against the 2nd extracellular loop of human beta1-adrenoceptor (ADRB1-AB) to autoantibodies enriched from patient material. The functionality of these autoantibodies was tested in a cell based assay for comparison and their structural appearance was investigated using 2D gel electrophoresis. The ELISA showed a limit of detection for ADRB1-AB of about 1.5 nmol antibody/L when spiked in human control serum and only about 25 nmol/L when spiked in species identical (goat) matrix material. When applied to samples of human origin, the ELISA failed to identify the specific beta1-AABs. A low concentration of beta1-AAB, together with structural inconsistency of the patient originated samples as seen from the 2D Gel appearance, might contribute to the failure of the peptide based ELISA technology to detect human beta1-AABs.

37 CFR 205.23 - Scope of testimony.

Code of Federal Regulations, 2010 CFR

2010-07-01

... limited to facts within the personal knowledge of the Office employee. An Office employee is prohibited..., that employee is further prohibited from giving testimony in response to an inquiry about the bases... employee considered or studied material in performing the function. (3) To inquire into the bases, reasons...

Catalytic wet air oxidation of phenol with functionalized carbon materials as catalysts: reaction mechanism and pathway.

PubMed

Wang, Jianbing; Fu, Wantao; He, Xuwen; Yang, Shaoxia; Zhu, Wanpeng

2014-08-01

The development of highly active carbon material catalysts in catalytic wet air oxidation (CWAO) has attracted a great deal of attention. In this study different carbon material catalysts (multi-walled carbon nanotubes, carbon fibers and graphite) were developed to enhance the CWAO of phenol in aqueous solution. The functionalized carbon materials exhibited excellent catalytic activity in the CWAO of phenol. After 60 min reaction, the removal of phenol was nearly 100% over the functionalized multi-walled carbon, while it was only 14% over the purified multi-walled carbon under the same reaction conditions. Carboxylic acid groups introduced on the surface of the functionalized carbon materials play an important role in the catalytic activity in CWAO. They can promote the production of free radicals, which act as strong oxidants in CWAO. Based on the analysis of the intermediates produced in the CWAO reactions, a new reaction pathway for the CWAO of phenol was proposed in this study. There are some differences between the proposed reaction pathway and that reported in the literature. First, maleic acid is transformed directly into malonic acid. Second, acetic acid is oxidized into an unknown intermediate, which is then oxidized into CO2 and H2O. Finally, formic acid and oxalic acid can mutually interconvert when conditions are favorable. Copyright © 2014. Published by Elsevier B.V.

Processing and properties of Titanium alloy based materials with tailored porosity and composition

NASA Astrophysics Data System (ADS)

Cabezas-Villa, Jose Luis; Olmos, Luis; Lemus-Ruiz, Jose; Bouvard, Didier; Chavez, Jorge; Jimenez, Omar; Manuel Solorio, Victor

2017-06-01

This paper deals with powder processing of Ti6Al4V titanium alloy based materials with tailored porosity and composition. Ti6Al4V powder was mixed either with salt particles acting as space holder, so as to provide two-scale porosity, or with hard TiN particles that significantly modified the microstructure of the material and increased its hardness. Finally an original three-layer component was produced. Sample microstructure was observed by SEM and micro-tomography with special interest in pore size and shape, inclusion distribution and connectivity. Compression tests provided elastic modulus and yield stress as functions of density. These materials are representative of bone implants subjected to complex biological and mechanical conditions. These results thus open avenues for processing personalized implants by powder metallurgy.

BMDO materials testing in the EOIM-3 experiment

NASA Technical Reports Server (NTRS)

Chung, Shirley Y.; Brinza, David E.; Minton, Timothy K.; Liang, Ranty H.

1995-01-01

The NASA Evaluation of Oxygen Interactions with Materials-3 (EOIM-3) experiment served as a testbed for a variety of materials that are candidates for Ballistic Missile Defense Organization (BMDO) space assets. The materials evaluated on this flight experiment were provided by BMDO contractors and technology laboratories. A parallel ground-based exposure evaluation was conducted using the Fast Atom Sample Tester (FAST) atomic-oxygen simulation facility at Physical Sciences, Inc. The EOIM-3 flight materials were exposed to an atomic oxygen fluence of approximately 2.3 x 10(exp 20) atoms/sq cm. The ground-based exposure fluence of 2.0 - 2.5 x 10(exp 20) atoms/sq cm permits direct comparison with that of the flight-exposed specimens. The results from the flight test conducted aboard STS-46 and the correlative ground-based exposure are summarized here. A more detailed correlation study is presented in the JPL Publication 93-31 entitled 'Flight-and Ground-Test Correlation Study of BMDO SDS Materials: Phase 1 Report'. In general, the majority of the materials survived the AO environment with their performance tolerances maintained for the duration of the exposure. Optical materials, baffles, and coatings performed extremely well as did most of the thermal coatings and tribological materials. A few of the candidate radiator, threat shielding, and structural materials showed significant degradation. Many of the coatings designed to protect against AO erosion of sensitive materials performed this function well.

Non-equilibrium Green's function calculation of AlGaAs-well-based and GaSb-based terahertz quantum cascade laser structures

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

Yasuda, H., E-mail: yasuda@nict.go.jp; Hosako, I.

2015-03-16

We investigate the performance of terahertz quantum cascade lasers (THz-QCLs) based on Al{sub x}Ga{sub 1−x}As/Al{sub y}Ga{sub 1−y}As and GaSb/AlGaSb material systems to realize higher-temperature operation. Calculations with the non-equilibrium Green's function method reveal that the AlGaAs-well-based THz-QCLs do not show improved performance, mainly because of alloy scattering in the ternary compound semiconductor. The GaSb-based THz-QCLs offer clear advantages over GaAs-based THz-QCLs. Weaker longitudinal optical phonon–electron interaction in GaSb produces higher peaks in the spectral functions of the lasing levels, which enables more electrons to be accumulated in the upper lasing level.

Material Characterization of Microsphere-Based Scaffolds with Encapsulated Raw Materials

PubMed Central

Sridharan, BanuPriya; Mohan, Neethu; Berkland, Cory J.; Detamore, Michael S.

2016-01-01

“Raw materials,” or materials capable of serving both as building blocks and as signals, which are often but not always natural materials, are taking center stage in biomaterials for contemporary regenerative medicine. In osteochondral tissue engineering, a field leveraging the underlying bone to facilitate cartilage regeneration, common raw materials include chondroitin sulfate (CS) for cartilage and β-tricalcium phosphate (TCP) for bone. Building on our previous work with gradient scaffolds based on microspheres, here we delved deeper into the characterization of individual components. In the current study, the release of CS and TCP from poly(D,L-lactic-co-glycolic acid) (PLGA) microsphere-based scaffolds was evaluated over a time period of 4 weeks. Raw material encapsulated groups were compared to ‘blank’ groups and evaluated for surface topology, molecular weight, and mechanical performance as a function of time. The CS group may have led to increased surface porosity, and the addition of CS improved the mechanical performance of the scaffold. The finding that CS was completely released into the surrounding media by 4 weeks has a significant impact on future in vivo studies, given rapid bioavailability. The addition of TCP seemed to contribute to the rough external appearance of the scaffold. The current study provides an introduction to degradation patterns of homogenous raw material encapsulated scaffolds, providing characterization data to advance the field of microsphere-based scaffolds in tissue engineering. PMID:27040236

[Material base on Chinese medical theory of 'Fei and Dachang being interior-exteriorly correlated'].

PubMed

Li, Jie; Cheng, Xin; Jia, Yu-Hua

2011-02-01

By reviewing pertinent literatures, we found that there existed some defects in studying material base on Chinese medical theory of "Fei and Dachang being interior-exteriorly related", such as the low efficacy of research methods; the neglect of intestinal and respiratory microhabitat and Chinese medical functional condition; and the unconformity of research design with evidence-based medicinal requirements. Thereby, the authors offered that the researches method of initiating merely from sole material or line linkage path should be rejected. The new research strategy should be established based on the feature of the lung and large intestine network connective structure, cutting-in from correlative changes in the two terminals (respiratory system and intestinal tissue), and the intermedial key knot of connection (blood serum), screen out in high throughput the relevant materials adopting microecological, proteomic and metabonomic techniques, and catch hold of the knots of network as much as possible. Based on these to perfect the researches on coordinating mechanism of the network, and to establish a new strategy for future researching.

Neuromorphic Computing – From Materials Research to Systems Architecture Roundtable

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

Schuller, Ivan K.; Stevens, Rick; Pino, Robinson

2015-10-29

Computation in its many forms is the engine that fuels our modern civilization. Modern computation—based on the von Neumann architecture—has allowed, until now, the development of continuous improvements, as predicted by Moore’s law. However, computation using current architectures and materials will inevitably—within the next 10 years—reach a limit because of fundamental scientific reasons. DOE convened a roundtable of experts in neuromorphic computing systems, materials science, and computer science in Washington on October 29-30, 2015 to address the following basic questions: Can brain-like (“neuromorphic”) computing devices based on new material concepts and systems be developed to dramatically outperform conventional CMOS basedmore » technology? If so, what are the basic research challenges for materials sicence and computing? The overarching answer that emerged was: The development of novel functional materials and devices incorporated into unique architectures will allow a revolutionary technological leap toward the implementation of a fully “neuromorphic” computer. To address this challenge, the following issues were considered: The main differences between neuromorphic and conventional computing as related to: signaling models, timing/clock, non-volatile memory, architecture, fault tolerance, integrated memory and compute, noise tolerance, analog vs. digital, and in situ learning New neuromorphic architectures needed to: produce lower energy consumption, potential novel nanostructured materials, and enhanced computation Device and materials properties needed to implement functions such as: hysteresis, stability, and fault tolerance Comparisons of different implementations: spin torque, memristors, resistive switching, phase change, and optical schemes for enhanced breakthroughs in performance, cost, fault tolerance, and/or manufacturability.« less

Multifunctional Nanomaterials: Design, Synthesis and Application Properties.

PubMed

Martinelli, Marisa; Strumia, Miriam Cristina

2017-02-07

The immense scope of variation in dendritic molecules (hyper-branching, nano-sized, hydrophobicity/hydrophilicity, rigidity/flexibility balance, etc.) and their versatile functionalization, with the possibility of multivalent binding, permit the design of highly improved, novel materials. Dendritic-based materials are therefore viable alternatives to conventional polymers. The overall aim of this work is to show the advantages of dendronization processes by presenting the synthesis and characterization of three different dendronized systems: (I) microbeads of functionalized chitosan; (II) nanostructuration of polypropylene surfaces; and (III) smart dendritic nanogels. The particular properties yielded by these systems could only be achieved thanks to the dendronization process.

A differential CDM model for fatigue of unidirectional metal matrix composites

NASA Technical Reports Server (NTRS)

Arnold, S. M.; Kruch, S.

1992-01-01

A multiaxial, isothermal, continuum damage mechanics (CDM) model for fatigue of a unidirectional metal matrix composite volume element is presented. The model is phenomenological, stress based, and assumes a single scalar internal damage variable, the evolution of which is anisotropic. The development of the fatigue damage model, (i.e., evolutionary law) is based on the definition of an initially transversely isotropic fatigue limit surface, a static fracture surface, and a normalized stress amplitude function. The anisotropy of these surfaces and function, and therefore the model, is defined through physically meaningful invariants reflecting the local stress and material orientation. This transversely isotropic model is shown, when taken to it's isotropic limit, to directly simplify to a previously developed and validated isotropic fatigue continuum damage model. Results of a nondimensional parametric study illustrate (1) the flexibility of the present formulation in attempting to characterize a class of composite materials, and (2) the capability of the formulation in predicting anticipated qualitative trends in the fatigue behavior of unidirectional metal matrix composites. Also, specific material parameters representing an initial characterization of the composite system SiC/Ti 15-3 and the matrix material (Ti 15-3) are reported.

Continuous flow chemical vapour deposition of carbon nanotube sea urchins.

PubMed

de La Verpilliere, Jean; Jessl, Sarah; Saeed, Khuzaimah; Ducati, Caterina; De Volder, Michael; Boies, Adam

2018-04-26

Hybrid structures consisting of functional materials enhanced by carbon nanotubes (CNTs) have potential for a variety of high impact applications, as shown by the impressive progress in sensing and mechanical applications enabled by CNT-enhanced materials. The hierarchical organisation of CNTs with other materials is key to the design of macroscale devices benefiting from the unique properties of individual CNTs, provided CNT density, morphology and binding with other materials are optimized. In this paper, we provide an analysis of a continuous aerosol process to create a hybrid hierarchical sea urchin structure with CNTs organized around a functional metal oxide core. We propose a new mechanism for the growth of these carbon nanotube sea urchins (CNTSU) and give new insight into their chemical composition. To corroborate the new mechanism, we examine the influence of CNT growth conditions on CNTSU morphology and demonstrate a new in-line characterisation technique to continuously monitor aerosol CNT growth during synthesis, which enables industrial-scale production optimization. Based upon the new formation mechanism we describe the first substrate-based chemical vapour deposition growth of CNTSUs which increases CNT length and improves G to D ratio, which also allows for the formation of CNTSU carpets with unique structures.

Phosphoric and carboxylic methacrylate esters as bonding agents in self-adhesive resin cements

PubMed Central

Liu, Wenshu; Meng, Hongmei; Sun, Zhiguang; Jiang, Riwen; Dong, Chang-An; Zhang, Congxiao

2018-01-01

The aim of the present study was to investigate the effect of pH and phosphoric ester structure (phosphonate or phosphate) on the bond strength of different dental restorative materials. The following three self-adhesive resin cements were used in the present study: RelyX™ Unicem, Maxcem and Multilink Sprint The pH of each cement was measured using a pH meter. The cements were used to attach a variety of restorative materials to human dentin and the bond strength was measured by assessing shear strength using a universal testing machine. The pH values of RelyX Unicem, Maxcem and Multilink Sprint were 3.78, 1.78 and 3.42, respectively. Maxcem, a phosphate-based self-adhesive cement, was demonstrated to form the weakest bonds. No significant difference in bond strength was observed between RelyX Unicem and Multilink Sprint, which are phosphonate-based cements. The results of the present study suggest that the chemical structure of the functional monomer influences the performance of an adhesive material. Furthermore, the pH of acidic functional monomers containing phosphonate or phosphate groups has an effect on the strength of bonds formed between dentin and restorative materials. PMID:29731837

Biodegradable and compostable alternatives to conventional plastics.

PubMed

Song, J H; Murphy, R J; Narayan, R; Davies, G B H

2009-07-27

Packaging waste forms a significant part of municipal solid waste and has caused increasing environmental concerns, resulting in a strengthening of various regulations aimed at reducing the amounts generated. Among other materials, a wide range of oil-based polymers is currently used in packaging applications. These are virtually all non-biodegradable, and some are difficult to recycle or reuse due to being complex composites having varying levels of contamination. Recently, significant progress has been made in the development of biodegradable plastics, largely from renewable natural resources, to produce biodegradable materials with similar functionality to that of oil-based polymers. The expansion in these bio-based materials has several potential benefits for greenhouse gas balances and other environmental impacts over whole life cycles and in the use of renewable, rather than finite resources. It is intended that use of biodegradable materials will contribute to sustainability and reduction in the environmental impact associated with disposal of oil-based polymers. The diversity of biodegradable materials and their varying properties makes it difficult to make simple, generic assessments such as biodegradable products are all 'good' or petrochemical-based products are all 'bad'. This paper discusses the potential impacts of biodegradable packaging materials and their waste management, particularly via composting. It presents the key issues that inform judgements of the benefits these materials have in relation to conventional, petrochemical-based counterparts. Specific examples are given from new research on biodegradability in simulated 'home' composting systems. It is the view of the authors that biodegradable packaging materials are most suitable for single-use disposable applications where the post-consumer waste can be locally composted.

Metal–organic and covalent organic frameworks as single-site catalysts

PubMed Central

Rogge, S. M. J.; Bavykina, A.; Hajek, J.; Garcia, H.; Olivos-Suarez, A. I.; Sepúlveda-Escribano, A.; Vimont, A.; Clet, G.; Bazin, P.; Kapteijn, F.

2017-01-01

Heterogeneous single-site catalysts consist of isolated, well-defined, active sites that are spatially separated in a given solid and, ideally, structurally identical. In this review, the potential of metal–organic frameworks (MOFs) and covalent organic frameworks (COFs) as platforms for the development of heterogeneous single-site catalysts is reviewed thoroughly. In the first part of this article, synthetic strategies and progress in the implementation of such sites in these two classes of materials are discussed. Because these solids are excellent playgrounds to allow a better understanding of catalytic functions, we highlight the most important recent advances in the modelling and spectroscopic characterization of single-site catalysts based on these materials. Finally, we discuss the potential of MOFs as materials in which several single-site catalytic functions can be combined within one framework along with their potential as powerful enzyme-mimicking materials. The review is wrapped up with our personal vision on future research directions. PMID:28338128

All-phosphorus flexible devices with non-collinear electrodes: a first principles study.

PubMed

Li, Junjun; Ruan, Lufeng; Wu, Zewen; Zhang, Guiling; Wang, Yin

2018-03-07

With the continuous expansion of the family of two-dimensional (2D) materials, flexible electronics based on 2D materials have quickly emerged. Theoretically, predicting the transport properties of the flexible devices made up of 2D materials using first principles is of great importance. Using density functional theory combined with the non-equilibrium Green's function formalism, we calculated the transport properties of all-phosphorus flexible devices with non-collinear electrodes, and the results predicted that the device with compressed metallic phosphorene electrodes sandwiching a P-type semiconducting phosphorene shows a better and robust conducting behavior against the bending of the semiconducting region when the angle between the two electrodes is less than 45°, which indicates that this system is very promising for flexible electronics. The calculation of a quantum transport system with non-collinear electrodes demonstrated in this work will provide more interesting information on mesoscopic material systems and related devices.

Conjugated Polymers/DNA Hybrid Materials for Protein Inactivation.

PubMed

Zhao, Likun; Zhang, Jiangyan; Xu, Huiming; Geng, Hao; Cheng, Yongqiang

2016-09-07

Chromophore-assisted light inactivation (CALI) is a powerful tool for analyzing protein functions due to the high degree of spatial and temporal resolution. In this work, we demonstrate a CALI approach based on conjugated polymers (CPs)/DNA hybrid material for protein inactivation. The target protein is conjugated with single-stranded DNA in advance. Single-stranded DNA can form CPs/DNA hybrid material with cationic CPs via electrostatic and hydrophobic interactions. Through the formation of CPs/DNA hybrid material, the target protein that is conjugated with DNA is brought into close proximity to CPs. Under irradiation, CPs harvest light and generate reactive oxygen species (ROS), resulting in the inactivation of the adjacent target protein. This approach can efficiently inactivate any target protein which is conjugated with DNA and has good specificity and universality, providing a new strategy for studies of protein function and adjustment of protein activity.

Self-assembled hierarchically structured organic-inorganic composite systems.

PubMed

Tritschler, Ulrich; Cölfen, Helmut

2016-05-13

Designing bio-inspired, multifunctional organic-inorganic composite materials is one of the most popular current research objectives. Due to the high complexity of biocomposite structures found in nacre and bone, for example, a one-pot scalable and versatile synthesis approach addressing structural key features of biominerals and affording bio-inspired, multifunctional organic-inorganic composites with advanced physical properties is highly challenging. This article reviews recent progress in synthesizing organic-inorganic composite materials via various self-assembly techniques and in this context highlights a recently developed bio-inspired synthesis concept for the fabrication of hierarchically structured, organic-inorganic composite materials. This one-step self-organization concept based on simultaneous liquid crystal formation of anisotropic inorganic nanoparticles and a functional liquid crystalline polymer turned out to be simple, fast, scalable and versatile, leading to various (multi-)functional composite materials, which exhibit hierarchical structuring over several length scales. Consequently, this synthesis approach is relevant for further progress and scientific breakthrough in the research field of bio-inspired and biomimetic materials.

Silk/nano-material hybrid: properties and functions

NASA Astrophysics Data System (ADS)

Steven, Eden; Lebedev, Victor; Laukhina, Elena; Laukhin, Vladimir; Alamo, Rufina G.; Rovira, Concepcio; Veciana, Jaume; Brooks, James S.

2014-03-01

Silk continues to emerge as a material of interest in electronics. In this work, the interaction between silk and conducting nano-materials are investigated. Simple fabrication methods, physical, electronic, thermal, and actuation properties are reported for spider silk / carbon nanotube (CNT-SS) and Bombyx mori / (BEDT-TTF)-based organic molecular conductor hybrids (ET-S). The CNT-SS fibers are produced via water and shear assisted method, resulting in fibers that are tough, custom-shapeable, flexible, and electrically conducting. For ET-S bilayer films, a layer transfer technique is developed to deposit linked crystallites of (BEDT-TTF)2I3 molecular conductor onto silk films, generating highly piezoresistive semi-transparent films. In both cases, the hybridization allows us to gain additional functions by harnessing the water-dependent properties of silk materials, for example, as humidity sensor and electrical current- or water-driven actuators. SEM, TEM, FT-IR, and resistance measurements under varying temperature, strain, and relative humidity reveal the synergistic interactions between the bio- and nano-materials. E.S. is supported by NSF-DMR 1005293.

Lipid-based nanotubes as functional architectures with embedded fluorescence and recognition capabilities.

PubMed

John, George; Mason, Megan; Ajayan, Pulickel M; Dordick, Jonathan S

2004-11-24

A limited combinatorial strategy was used to synthesize a small library of soft lipid-based materials ranging from structurally unordered fibers to highly uniform nanotubes. The latter nanotubes are comprised of a bilayer structure with interdigitated alkyl chains associated through hydrophobic interactions. These tubes contain accessible 2,6-diaminopyridine linkers that can interact with thymidine and related nucleosides through multipoint hydrogen bonding, thereby quenching the intrinsic fluorescence of the aromatic linker. These results are the first example of a systematic strategy to design functional lipid nanotubes with precise structural and functional features.

A novel carbon electrode material for highly improved EDLC performance.

PubMed

Fang, Baizeng; Binder, Leo

2006-04-20

Porous materials, developed by grafting functional groups through chemical surface modification with a surfactant, represent an innovative concept in energy storage. This work reports, in detail, the first practical realization of a novel carbon electrode based on grafting of vinyltrimethoxysilane (vtmos) functional group for energy storage in electric double layer capacitor (EDLC). Surface modification with surfactant vtmos enhances the hydrophobisation of activated carbon and the affinity toward propylene carbonate (PC) solvent, which improves the wettability of activated carbon in the electrolyte solution based on PC solvent, resulting in not only a lower resistance to the transport of electrolyte ions within micropores of activated carbon but also more usable surface area for the formation of electric double layer, and accordingly, higher specific capacitance, energy density, and power capability available from the capacitor based on modified carbon. Especially, the effects from surface modification become superior at higher discharge rate, at which much better EDLC performance (i.e., much higher energy density and power capability) has been achieved by the modified carbon, suggesting that the modified carbon is a novel and very promising electrode material of EDLC for large current applications where both high energy density and power capability are required.

An n -material thresholding method for improving integerness of solutions in topology optimization

DOE PAGES

Watts, Seth; Tortorelli, Daniel A.

2016-04-10

It is common in solving topology optimization problems to replace an integer-valued characteristic function design field with the material volume fraction field, a real-valued approximation of the design field that permits "fictitious" mixtures of materials during intermediate iterations in the optimization process. This is reasonable so long as one can interpolate properties for such materials and so long as the final design is integer valued. For this purpose, we present a method for smoothly thresholding the volume fractions of an arbitrary number of material phases which specify the design. This method is trivial for two-material design problems, for example, themore » canonical topology design problem of specifying the presence or absence of a single material within a domain, but it becomes more complex when three or more materials are used, as often occurs in material design problems. We take advantage of the similarity in properties between the volume fractions and the barycentric coordinates on a simplex to derive a thresholding, method which is applicable to an arbitrary number of materials. As we show in a sensitivity analysis, this method has smooth derivatives, allowing it to be used in gradient-based optimization algorithms. Finally, we present results, which show synergistic effects when used with Solid Isotropic Material with Penalty and Rational Approximation of Material Properties material interpolation functions, popular methods of ensuring integerness of solutions.« less